SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'ADE'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		7 / 12 HIS A  16
HIS A  18
ASP A 100
PHE A  59
GLU A 199
HIS A 220
ASP A 277
 ZN  A 327 (-3.4A)
ADE  A 328 ( 3.0A)
None
None
ADE  A 328 (-3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
 1.28A 1a4lA-3paoA:
39.5		 1a4lA-3paoA:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		8 / 12 HIS A  16
HIS A  18
PHE A  59
HIS A 196
GLU A 199
HIS A 220
ASP A 277
ASP A 278
 ZN  A 327 (-3.4A)
ADE  A 328 ( 3.0A)
None
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 0.53A 1a4lA-3paoA:
39.5		 1a4lA-3paoA:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  16
PHE A 282
PHE A  59
HIS A 220
ASP A 278
 ZN  A 327 (-3.4A)
None
None
ADE  A 328 ( 4.2A)
ADE  A 328 (-2.8A)
 1.11A 1a4lA-3paoA:
39.5		 1a4lA-3paoA:
30.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		7 / 12 HIS A  19
HIS A  21
ASP A 103
PHE A  62
GLU A 202
HIS A 223
ASP A 280
 ZN  A 344 (-3.5A)
ADE  A 345 ( 3.2A)
None
None
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
 1.26A 1a4lA-3rysA:
40.9		 1a4lA-3rysA:
29.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		8 / 12 HIS A  19
HIS A  21
PHE A  62
HIS A 199
GLU A 202
HIS A 223
ASP A 280
ASP A 281
 ZN  A 344 (-3.5A)
ADE  A 345 ( 3.2A)
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 0.53A 1a4lA-3rysA:
40.9		 1a4lA-3rysA:
29.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  19
PHE A 285
PHE A  62
HIS A 223
ASP A 281
 ZN  A 344 (-3.5A)
None
None
ADE  A 345 ( 4.2A)
ADE  A 345 (-2.8A)
 1.09A 1a4lA-3rysA:
40.9		 1a4lA-3rysA:
29.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		7 / 12 HIS A  18
ASP A 100
PHE A  59
LEU A  60
GLU A 199
HIS A 220
ASP A 277
 ADE  A 328 ( 3.0A)
None
None
ADE  A 328 (-4.9A)
ADE  A 328 (-3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
 1.32A 1a4lB-3paoA:
39.4		 1a4lB-3paoA:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  18
LEU A  56
HIS A 196
ASP A 277
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 1.01A 1a4lB-3paoA:
39.4		 1a4lB-3paoA:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  18
LEU A  56
PHE A  59
HIS A 196
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
None
ZN  A 327 ( 3.5A)
ADE  A 328 (-2.8A)
 1.21A 1a4lB-3paoA:
39.4		 1a4lB-3paoA:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		8 / 12 HIS A  18
PHE A  59
LEU A  60
HIS A 196
GLU A 199
HIS A 220
ASP A 277
ASP A 278
 ADE  A 328 ( 3.0A)
None
ADE  A 328 (-4.9A)
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 0.56A 1a4lB-3paoA:
39.4		 1a4lB-3paoA:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 PHE A  59
LEU A  60
HIS A 196
ASP A 277
ASP A 278
 None
ADE  A 328 (-4.9A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 1.35A 1a4lB-3paoA:
39.4		 1a4lB-3paoA:
30.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		7 / 12 HIS A  21
ASP A 103
PHE A  62
LEU A  63
GLU A 202
HIS A 223
ASP A 280
 ADE  A 345 ( 3.2A)
None
None
None
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
 1.33A 1a4lB-3rysA:
40.7		 1a4lB-3rysA:
29.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  21
LEU A  59
PHE A  62
HIS A 199
ASP A 281
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
 1.16A 1a4lB-3rysA:
40.7		 1a4lB-3rysA:
29.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		6 / 12 HIS A  21
PHE A  62
LEU A  59
HIS A 199
ASP A 280
ASP A 281
 ADE  A 345 ( 3.2A)
None
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 1.47A 1a4lB-3rysA:
40.7		 1a4lB-3rysA:
29.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		8 / 12 HIS A  21
PHE A  62
LEU A  63
HIS A 199
GLU A 202
HIS A 223
ASP A 280
ASP A 281
 ADE  A 345 ( 3.2A)
None
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 0.52A 1a4lB-3rysA:
40.7		 1a4lB-3rysA:
29.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 PHE A  62
LEU A  63
HIS A 199
ASP A 280
ASP A 281
 None
None
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 1.31A 1a4lB-3rysA:
40.7		 1a4lB-3rysA:
29.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		7 / 12 HIS A  16
HIS A  18
ASP A 100
PHE A  59
GLU A 199
HIS A 220
ASP A 277
 ZN  A 327 (-3.4A)
ADE  A 328 ( 3.0A)
None
None
ADE  A 328 (-3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
 1.31A 1a4lC-3paoA:
39.5		 1a4lC-3paoA:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		8 / 12 HIS A  16
HIS A  18
PHE A  59
HIS A 196
GLU A 199
HIS A 220
ASP A 277
ASP A 278
 ZN  A 327 (-3.4A)
ADE  A 328 ( 3.0A)
None
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 0.54A 1a4lC-3paoA:
39.5		 1a4lC-3paoA:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  16
PHE A 282
PHE A  59
HIS A 220
ASP A 278
 ZN  A 327 (-3.4A)
None
None
ADE  A 328 ( 4.2A)
ADE  A 328 (-2.8A)
 1.05A 1a4lC-3paoA:
39.5		 1a4lC-3paoA:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 196
HIS A 220
PHE A 282
HIS A  16
HIS A  18
 ZN  A 327 ( 3.5A)
ADE  A 328 ( 4.2A)
None
ZN  A 327 (-3.4A)
ADE  A 328 ( 3.0A)
 1.22A 1a4lC-3paoA:
39.5		 1a4lC-3paoA:
30.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		7 / 12 HIS A  19
HIS A  21
ASP A 103
PHE A  62
GLU A 202
HIS A 223
ASP A 280
 ZN  A 344 (-3.5A)
ADE  A 345 ( 3.2A)
None
None
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
 1.29A 1a4lC-3rysA:
40.8		 1a4lC-3rysA:
29.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		8 / 12 HIS A  19
HIS A  21
PHE A  62
HIS A 199
GLU A 202
HIS A 223
ASP A 280
ASP A 281
 ZN  A 344 (-3.5A)
ADE  A 345 ( 3.2A)
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 0.51A 1a4lC-3rysA:
40.8		 1a4lC-3rysA:
29.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  19
PHE A 285
PHE A  62
HIS A 223
ASP A 281
 ZN  A 344 (-3.5A)
None
None
ADE  A 345 ( 4.2A)
ADE  A 345 (-2.8A)
 1.03A 1a4lC-3rysA:
40.8		 1a4lC-3rysA:
29.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A 199
HIS A 223
PHE A 285
HIS A  19
HIS A  21
 ZN  A 344 ( 3.4A)
ADE  A 345 ( 4.2A)
None
ZN  A 344 (-3.5A)
ADE  A 345 ( 3.2A)
 1.22A 1a4lC-3rysA:
40.8		 1a4lC-3rysA:
29.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		6 / 12 HIS A  18
ASP A 100
PHE A  59
GLU A 199
HIS A 220
ASP A 277
 ADE  A 328 ( 3.0A)
None
None
ADE  A 328 (-3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
 1.34A 1a4lD-3paoA:
39.6		 1a4lD-3paoA:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		7 / 12 HIS A  18
PHE A  59
HIS A 196
GLU A 199
HIS A 220
ASP A 277
ASP A 278
 ADE  A 328 ( 3.0A)
None
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 0.52A 1a4lD-3paoA:
39.6		 1a4lD-3paoA:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  18
PHE A 282
PHE A  59
HIS A 196
ASP A 278
 ADE  A 328 ( 3.0A)
None
None
ZN  A 327 ( 3.5A)
ADE  A 328 (-2.8A)
 1.41A 1a4lD-3paoA:
39.6		 1a4lD-3paoA:
30.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		6 / 12 HIS A  21
ASP A 103
PHE A  62
GLU A 202
HIS A 223
ASP A 280
 ADE  A 345 ( 3.2A)
None
None
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
 1.31A 1a4lD-3rysA:
40.7		 1a4lD-3rysA:
29.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		7 / 12 HIS A  21
PHE A  62
HIS A 199
GLU A 202
HIS A 223
ASP A 280
ASP A 281
 ADE  A 345 ( 3.2A)
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 0.48A 1a4lD-3rysA:
40.7		 1a4lD-3rysA:
29.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  21
PHE A 285
PHE A  62
HIS A 199
ASP A 281
 ADE  A 345 ( 3.2A)
None
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
 1.41A 1a4lD-3rysA:
40.7		 1a4lD-3rysA:
29.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AV2_D_DVAD8_0
(GRAMICIDIN A)		 3waz PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pyrococcus
abyssi) 		3 / 3 VAL A 166
VAL A 164
TRP A  64
 None
ADE  A 301 (-3.8A)
None
 0.92A 1av2C-3wazA:
undetectable
1av2D-3wazA:
undetectable		 1av2C-3wazA:
5.35
1av2D-3wazA:
5.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BZM_A_MZMA262_1
(CARBONIC ANHYDRASE I)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		4 / 8 HIS A 196
HIS A  16
HIS A 220
HIS A  18
 ZN  A 327 ( 3.5A)
ZN  A 327 (-3.4A)
ADE  A 328 ( 4.2A)
ADE  A 328 ( 3.0A)
 1.01A 1bzmA-3paoA:
undetectable		 1bzmA-3paoA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 11 HIS A  16
HIS A 196
ASP A 277
ASP A 278
TYR A  63
 ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
ADE  A 328 (-4.0A)
 1.34A 1c3sA-3paoA:
undetectable		 1c3sA-3paoA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 11 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.31A 1c3sA-3rysA:
undetectable		 1c3sA-3rysA:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_A_ADNA601_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		10 / 12 HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.38A 1d4fA-3oneA:
53.8		 1d4fA-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_A_ADNA601_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 LEU A  61
HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 398
 None
ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
 1.41A 1d4fA-3oneA:
53.8		 1d4fA-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_A_ADNA601_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		10 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
LEU A 395
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.57A 1d4fA-3oneA:
53.8		 1d4fA-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_A_ADNA601_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 THR A  67
GLU A 205
THR A 206
HIS A 350
HIS A 404
 ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
None
ADE  A 506 (-3.4A)
 0.58A 1d4fA-3oneA:
53.8		 1d4fA-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_B_ADNB602_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		10 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
HIS A 350
LEU A 395
LEU A 398
GLY A 403
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
None
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.42A 1d4fB-3oneA:
53.9		 1d4fB-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_B_ADNB602_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		10 / 12 LEU A  61
HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.63A 1d4fB-3oneA:
53.9		 1d4fB-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_B_ADNB602_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 THR A  64
THR A  67
GLU A 205
THR A 206
HIS A 404
 ADE  A 506 (-2.8A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
ADE  A 506 (-3.4A)
 0.56A 1d4fB-3oneA:
53.9		 1d4fB-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_C_ADNC603_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 398
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
 1.41A 1d4fC-3oneA:
53.6		 1d4fC-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_C_ADNC603_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		10 / 12 HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
LEU A 395
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.43A 1d4fC-3oneA:
53.6		 1d4fC-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_C_ADNC603_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 LEU A  61
ASP A 139
LYS A 235
ASP A 239
LEU A 398
 None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
 1.15A 1d4fC-3oneA:
53.6		 1d4fC-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_C_ADNC603_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		10 / 12 LEU A  61
THR A  64
ASP A 139
LYS A 235
ASP A 239
LEU A 395
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.65A 1d4fC-3oneA:
53.6		 1d4fC-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_C_ADNC603_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 THR A  67
GLU A 205
THR A 206
HIS A 350
LEU A 398
 ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
None
ADE  A 506 ( 4.7A)
 0.58A 1d4fC-3oneA:
53.6		 1d4fC-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_D_ADND604_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.34A 1d4fD-3oneA:
53.7		 1d4fD-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_D_ADND604_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		10 / 12 HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.42A 1d4fD-3oneA:
53.7		 1d4fD-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_D_ADND604_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		10 / 12 LEU A  61
THR A  64
ASP A 139
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.62A 1d4fD-3oneA:
53.7		 1d4fD-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4F_D_ADND604_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 THR A  67
GLU A 205
THR A 206
HIS A 350
HIS A 404
 ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
None
ADE  A 506 (-3.4A)
 0.58A 1d4fD-3oneA:
53.7		 1d4fD-3oneA:
57.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_A_PPFA410_1
(PHOSPHONOACETATE
HYDROLASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		4 / 5 ASP A 277
HIS A  18
HIS A 220
HIS A 196
 ZN  A 327 ( 2.6A)
ADE  A 328 ( 3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 3.5A)
 1.07A 1ei6A-3paoA:
undetectable		 1ei6A-3paoA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IEP_A_STIA201_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
THR A 265
PHE A 267
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.77A 1iepA-2qluA:
24.3		 1iepA-2qluA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IEP_B_STIB202_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
ILE A 233
THR A 265
PHE A 267
GLY A 271
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
None
 1.15A 1iepB-2qluA:
24.4		 1iepB-2qluA:
24.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JDV_A_ADNA1260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 10 ARG A  87
VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-4.1A)
 0.54A 1jdvA-4daoA:
32.9
1jdvD-4daoA:
33.0		 1jdvA-4daoA:
31.01
1jdvD-4daoA:
31.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JDV_A_ADNA1260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		5 / 10 VAL B 172
GLU B 173
MET B 174
GLU B 175
ASP B 198
 None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-2.4A)
 0.68A 1jdvA-4qezB:
22.5
1jdvD-4qezB:
22.4		 1jdvA-4qezB:
23.91
1jdvD-4qezB:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JDV_A_ADNA1260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		5 / 10 VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-2.9A)
 0.53A 1jdvA-5dk6A:
22.2
1jdvD-5dk6A:
22.2		 1jdvA-5dk6A:
23.90
1jdvD-5dk6A:
23.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JDV_B_ADNB2260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 10 ARG A  87
VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-4.1A)
 0.54A 1jdvB-4daoA:
33.0
1jdvC-4daoA:
33.8		 1jdvB-4daoA:
31.01
1jdvC-4daoA:
31.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JDV_B_ADNB2260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		5 / 10 VAL B 172
GLU B 173
MET B 174
GLU B 175
ASP B 198
 None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-2.4A)
 0.68A 1jdvB-4qezB:
22.1
1jdvC-4qezB:
21.9		 1jdvB-4qezB:
23.91
1jdvC-4qezB:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JDV_B_ADNB2260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		5 / 10 VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-2.9A)
 0.51A 1jdvB-5dk6A:
22.0
1jdvC-5dk6A:
21.7		 1jdvB-5dk6A:
23.90
1jdvC-5dk6A:
23.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JDV_D_ADND3260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 10 ARG A  87
VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-4.1A)
 0.55A 1jdvA-4daoA:
32.9
1jdvD-4daoA:
33.0		 1jdvA-4daoA:
31.01
1jdvD-4daoA:
31.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JDV_D_ADND3260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		5 / 10 VAL B 172
GLU B 173
MET B 174
GLU B 175
ASP B 198
 None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-2.4A)
 0.68A 1jdvA-4qezB:
22.5
1jdvD-4qezB:
22.4		 1jdvA-4qezB:
23.91
1jdvD-4qezB:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JDV_D_ADND3260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		5 / 10 VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-2.9A)
 0.52A 1jdvA-5dk6A:
22.2
1jdvD-5dk6A:
22.2		 1jdvA-5dk6A:
23.90
1jdvD-5dk6A:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 3lgs 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASES
(Arabidopsis
thaliana) 		5 / 12 THR A 116
GLY A 118
MET A 201
GLU A 202
ASP A 225
 SAH  A 268 (-3.8A)
ADE  A 269 ( 3.6A)
SAH  A 268 ( 3.3A)
SAH  A 268 (-3.1A)
ADE  A 269 ( 3.0A)
 0.51A 1jdvE-3lgsA:
20.3
1jdvF-3lgsA:
20.1		 1jdvE-3lgsA:
24.04
1jdvF-3lgsA:
24.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 12 ARG A  87
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
 0.57A 1jdvE-4daoA:
33.1
1jdvF-4daoA:
33.9		 1jdvE-4daoA:
31.01
1jdvF-4daoA:
31.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 12 ARG A  87
GLY A 176
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 1.40A 1jdvE-4daoA:
33.1
1jdvF-4daoA:
33.9		 1jdvE-4daoA:
31.01
1jdvF-4daoA:
31.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		6 / 12 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
ADE  A 301 (-2.8A)
 0.51A 1jdvE-4josA:
22.8
1jdvF-4josA:
22.3		 1jdvE-4josA:
23.08
1jdvF-4josA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		6 / 12 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
ADE  A 305 (-2.8A)
 0.56A 1jdvE-4jwtA:
22.7
1jdvF-4jwtA:
22.1		 1jdvE-4jwtA:
22.22
1jdvF-4jwtA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		6 / 12 GLY A  81
VAL A 178
MET A 180
GLU A 181
SER A 203
ASP A 204
 ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
ADE  A 301 (-3.0A)
 0.55A 1jdvE-4l0mA:
22.2
1jdvF-4l0mA:
22.0		 1jdvE-4l0mA:
22.14
1jdvF-4l0mA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		5 / 12 GLY A 113
GLU A 192
VAL A 208
MET A 210
ASP A 234
 ADE  A 502 (-3.6A)
ADE  A 502 (-2.9A)
ADE  A 502 (-4.5A)
MPD  A 503 ( 3.2A)
ADE  A 502 (-2.9A)
 0.61A 1jdvE-4lnaA:
22.3
1jdvF-4lnaA:
21.8		 1jdvE-4lnaA:
21.61
1jdvF-4lnaA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE
(Planctopirus
limnophila) 		5 / 12 GLY A 116
GLU A 194
VAL A 210
MET A 212
ASP A 236
 ADE  A 401 (-3.7A)
ADE  A 401 (-2.7A)
ADE  A 401 (-4.4A)
ADE  A 401 (-4.2A)
ADE  A 401 (-3.0A)
 0.55A 1jdvE-4m1eA:
12.8
1jdvF-4m1eA:
21.0		 1jdvE-4m1eA:
21.29
1jdvF-4m1eA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		6 / 12 GLY A  67
VAL A 142
MET A 144
GLU A 145
SER A 167
ASP A 168
 ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
ADE  A 501 (-2.8A)
 0.66A 1jdvE-4pr3A:
9.5
1jdvF-4pr3A:
9.3		 1jdvE-4pr3A:
26.79
1jdvF-4pr3A:
26.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		7 / 12 GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
SER B 197
ASP B 198
 ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
ADE  B 301 (-2.4A)
 0.68A 1jdvE-4qezB:
22.3
1jdvF-4qezB:
22.0		 1jdvE-4qezB:
23.91
1jdvF-4qezB:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		7 / 12 GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
ADE  A 302 (-2.9A)
 0.53A 1jdvE-5dk6A:
22.1
1jdvF-5dk6A:
21.8		 1jdvE-5dk6A:
23.90
1jdvF-5dk6A:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KYV_A_RBFA501_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		5 / 12 GLY A  81
LEU A 165
ILE A 168
ILE A 152
LEU A 153
 ADE  A 301 (-3.6A)
None
None
None
None
 1.13A 1kyvA-4l0mA:
6.0
1kyvE-4l0mA:
5.9		 1kyvA-4l0mA:
21.84
1kyvE-4l0mA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KYV_C_RBFC503_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		5 / 12 ILE A 152
LEU A 153
GLY A  81
LEU A 165
ILE A 168
 None
None
ADE  A 301 (-3.6A)
None
None
 1.14A 1kyvB-4l0mA:
5.2
1kyvC-4l0mA:
6.0		 1kyvB-4l0mA:
21.84
1kyvC-4l0mA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KYV_D_RBFD504_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		5 / 12 ILE A 152
LEU A 153
GLY A  81
LEU A 165
ILE A 168
 None
None
ADE  A 301 (-3.6A)
None
None
 1.11A 1kyvC-4l0mA:
6.0
1kyvD-4l0mA:
5.3		 1kyvC-4l0mA:
21.84
1kyvD-4l0mA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		8 / 12 ALA A 215
LYS A 217
GLU A 230
LEU A 263
THR A 265
GLY A 271
LEU A 328
ASP A 339
 ADE  A 488 (-3.2A)
None
None
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.68A 1m17A-2qluA:
26.4		 1m17A-2qluA:
25.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MRG_A_ADNA300_1
(ALPHA-MOMORCHARIN)		 1aha ALPHA-MOMORCHARIN
(Momordica
charantia) 		8 / 9 ILE A  71
PHE A  83
GLY A 109
TYR A 111
ILE A 155
ALA A 159
GLU A 160
ARG A 163
 ADE  A 339 (-3.9A)
ADE  A 339 ( 4.8A)
ADE  A 339 (-4.1A)
ADE  A 339 ( 3.6A)
ADE  A 339 (-4.1A)
ADE  A 339 ( 3.7A)
ADE  A 339 (-4.5A)
ADE  A 339 ( 2.9A)
 0.30A 1mrgA-1ahaA:
43.5		 1mrgA-1ahaA:
98.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MRG_A_ADNA300_1
(ALPHA-MOMORCHARIN)		 1aha ALPHA-MOMORCHARIN
(Momordica
charantia) 		5 / 9 TYR A  70
ILE A  71
TYR A 111
ILE A 155
ALA A 159
 ADE  A 339 ( 3.8A)
ADE  A 339 (-3.9A)
ADE  A 339 ( 3.6A)
ADE  A 339 (-4.1A)
ADE  A 339 ( 3.7A)
 1.06A 1mrgA-1ahaA:
43.5		 1mrgA-1ahaA:
98.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MRG_A_ADNA300_1
(ALPHA-MOMORCHARIN)		 2qes RIBOSOME-INACTIVATIN
G PROTEIN PD-L4
(Phytolacca
dioica) 		5 / 9 PHE A  89
TYR A 122
ILE A 170
GLU A 175
ARG A 178
 ADE  A 501 ( 4.9A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.0A)
ADE  A 501 ( 4.7A)
ADE  A 501 (-2.9A)
 0.28A 1mrgA-2qesA:
30.8		 1mrgA-2qesA:
30.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MRG_A_ADNA300_1
(ALPHA-MOMORCHARIN)		 3ku0 RIBOSOME-INACTIVATIN
G PROTEIN GELONIN
(Suregada
multiflora) 		7 / 9 TYR A  74
PHE A  87
GLY A 111
TYR A 113
ILE A 161
GLU A 166
ARG A 169
 ADE  A 800 (-3.5A)
ADE  A 800 (-4.6A)
ADE  A 800 (-4.1A)
ADE  A 800 (-3.5A)
ADE  A 800 (-4.0A)
ADE  A 800 ( 4.5A)
ADE  A 800 (-2.7A)
 0.32A 1mrgA-3ku0A:
33.9		 1mrgA-3ku0A:
33.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MRJ_A_ADNA300_1
(ALPHA-TRICHOSANTHIN)		 1aha ALPHA-MOMORCHARIN
(Momordica
charantia) 		6 / 8 ILE A  71
GLY A 109
TYR A 111
ILE A 155
GLU A 160
ARG A 163
 ADE  A 339 (-3.9A)
ADE  A 339 (-4.1A)
ADE  A 339 ( 3.6A)
ADE  A 339 (-4.1A)
ADE  A 339 (-4.5A)
ADE  A 339 ( 2.9A)
 0.28A 1mrjA-1ahaA:
41.4		 1mrjA-1ahaA:
65.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MRJ_A_ADNA300_1
(ALPHA-TRICHOSANTHIN)		 1aha ALPHA-MOMORCHARIN
(Momordica
charantia) 		4 / 8 TYR A  70
ILE A  71
TYR A 111
ILE A 155
 ADE  A 339 ( 3.8A)
ADE  A 339 (-3.9A)
ADE  A 339 ( 3.6A)
ADE  A 339 (-4.1A)
 0.86A 1mrjA-1ahaA:
41.4		 1mrjA-1ahaA:
65.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MRJ_A_ADNA300_1
(ALPHA-TRICHOSANTHIN)		 2qes RIBOSOME-INACTIVATIN
G PROTEIN PD-L4
(Phytolacca
dioica) 		4 / 8 TYR A 122
ILE A 170
GLU A 175
ARG A 178
 ADE  A 501 (-3.7A)
ADE  A 501 (-4.0A)
ADE  A 501 ( 4.7A)
ADE  A 501 (-2.9A)
 0.18A 1mrjA-2qesA:
30.6		 1mrjA-2qesA:
30.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MRJ_A_ADNA300_1
(ALPHA-TRICHOSANTHIN)		 2qes RIBOSOME-INACTIVATIN
G PROTEIN PD-L4
(Phytolacca
dioica) 		4 / 8 TYR A 122
ILE A 170
SER A 174
GLU A 175
 ADE  A 501 (-3.7A)
ADE  A 501 (-4.0A)
ADE  A 501 (-3.6A)
ADE  A 501 ( 4.7A)
 0.67A 1mrjA-2qesA:
30.6		 1mrjA-2qesA:
30.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MRJ_A_ADNA300_1
(ALPHA-TRICHOSANTHIN)		 3ku0 RIBOSOME-INACTIVATIN
G PROTEIN GELONIN
(Suregada
multiflora) 		7 / 8 TYR A  74
GLY A 111
TYR A 113
ILE A 161
SER A 165
GLU A 166
ARG A 169
 ADE  A 800 (-3.5A)
ADE  A 800 (-4.1A)
ADE  A 800 (-3.5A)
ADE  A 800 (-4.0A)
ADE  A 800 ( 3.7A)
ADE  A 800 ( 4.5A)
ADE  A 800 (-2.7A)
 0.25A 1mrjA-3ku0A:
33.7		 1mrjA-3ku0A:
37.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NT2_A_SAMA301_1
(FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		3 / 3 THR A 245
GLU A 202
ASP A  58
 None
ADE  A 345 (-2.8A)
None
 0.85A 1nt2A-3rysA:
undetectable		 1nt2A-3rysA:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ODI_A_ADNA1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		5 / 11 ARG A  87
GLY A  92
GLU A 178
GLU A 180
ILE A  94
 None
ADE  A 301 (-3.5A)
None
None
None
 1.32A 1odiA-4daoA:
24.3		 1odiA-4daoA:
36.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ODI_A_ADNA1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		7 / 11 MET A  64
ARG A  87
GLY A  92
GLU A 178
MET A 179
GLU A 180
SER A 202
 None
None
ADE  A 301 (-3.5A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
 0.32A 1odiA-4daoA:
24.3		 1odiA-4daoA:
36.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_A_ADNA1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		5 / 11 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
 0.50A 1odiA-4josA:
17.0		 1odiA-4josA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_A_ADNA1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 11 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
 0.47A 1odiA-4jwtA:
16.6		 1odiA-4jwtA:
28.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_A_ADNA1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		5 / 11 GLY B  78
GLU B 173
MET B 174
GLU B 175
SER B 197
 ADE  B 301 (-3.2A)
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
 0.51A 1odiA-4qezB:
16.2		 1odiA-4qezB:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_A_ADNA1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		5 / 11 GLY A  78
GLU A 178
MET A 179
GLU A 180
SER A 202
 ADE  A 302 (-3.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
 0.40A 1odiA-5dk6A:
16.8		 1odiA-5dk6A:
25.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ODI_B_ADNB1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 11 ARG A  87
GLY A  92
GLU A 178
GLU A 180
SER A 202
ILE A  94
 None
ADE  A 301 (-3.5A)
None
None
ADE  A 301 (-3.5A)
None
 1.23A 1odiB-4daoA:
22.6		 1odiB-4daoA:
36.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ODI_B_ADNB1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		7 / 11 MET A  64
ARG A  87
GLY A  92
GLU A 178
MET A 179
GLU A 180
SER A 202
 None
None
ADE  A 301 (-3.5A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
 0.34A 1odiB-4daoA:
22.6		 1odiB-4daoA:
36.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_B_ADNB1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		5 / 11 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
 0.58A 1odiB-4josA:
24.6		 1odiB-4josA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_B_ADNB1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 11 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
 0.54A 1odiB-4jwtA:
24.5		 1odiB-4jwtA:
28.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_B_ADNB1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		5 / 11 GLY B  78
GLU B 173
MET B 174
GLU B 175
SER B 197
 ADE  B 301 (-3.2A)
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
 0.56A 1odiB-4qezB:
24.1		 1odiB-4qezB:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_B_ADNB1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		5 / 11 GLY A  78
GLU A 178
MET A 179
GLU A 180
SER A 202
 ADE  A 302 (-3.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
 0.48A 1odiB-5dk6A:
24.5		 1odiB-5dk6A:
25.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ODI_C_ADNC1238_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 11 ARG A  87
GLY A  92
GLU A 178
GLU A 180
SER A 202
ILE A  94
 None
ADE  A 301 (-3.5A)
None
None
ADE  A 301 (-3.5A)
None
 1.23A 1odiC-4daoA:
35.0		 1odiC-4daoA:
36.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ODI_C_ADNC1238_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		7 / 11 MET A  64
ARG A  87
GLY A  92
GLU A 178
MET A 179
GLU A 180
SER A 202
 None
None
ADE  A 301 (-3.5A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
 0.33A 1odiC-4daoA:
35.0		 1odiC-4daoA:
36.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_C_ADNC1238_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		5 / 11 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
 0.54A 1odiC-4josA:
24.4		 1odiC-4josA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_C_ADNC1238_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 11 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
 0.51A 1odiC-4jwtA:
24.3		 1odiC-4jwtA:
28.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_C_ADNC1238_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		5 / 11 GLY B  78
GLU B 173
MET B 174
GLU B 175
SER B 197
 ADE  B 301 (-3.2A)
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
 0.48A 1odiC-4qezB:
23.8		 1odiC-4qezB:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_C_ADNC1238_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		5 / 11 GLY A  78
GLU A 178
MET A 179
GLU A 180
SER A 202
 ADE  A 302 (-3.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
 0.45A 1odiC-5dk6A:
24.1		 1odiC-5dk6A:
25.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ODI_D_ADND1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		5 / 11 ARG A  87
GLY A  92
GLU A 178
GLU A 180
ILE A  94
 None
ADE  A 301 (-3.5A)
None
None
None
 1.31A 1odiD-4daoA:
34.8		 1odiD-4daoA:
36.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ODI_D_ADND1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		7 / 11 MET A  64
ARG A  87
GLY A  92
GLU A 178
MET A 179
GLU A 180
SER A 202
 None
None
ADE  A 301 (-3.5A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
 0.33A 1odiD-4daoA:
34.8		 1odiD-4daoA:
36.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_D_ADND1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		5 / 11 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
 0.56A 1odiD-4josA:
24.6		 1odiD-4josA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_D_ADND1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 11 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
 0.52A 1odiD-4jwtA:
24.5		 1odiD-4jwtA:
28.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_D_ADND1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		5 / 11 GLY B  78
GLU B 173
MET B 174
GLU B 175
SER B 197
 ADE  B 301 (-3.2A)
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
 0.55A 1odiD-4qezB:
24.1		 1odiD-4qezB:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_D_ADND1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		5 / 11 GLY A  78
GLU A 178
MET A 179
GLU A 180
SER A 202
 ADE  A 302 (-3.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
 0.47A 1odiD-5dk6A:
24.3		 1odiD-5dk6A:
25.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ODI_E_ADNE1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 11 ARG A  87
GLY A  92
GLU A 178
GLU A 180
SER A 202
ILE A  94
 None
ADE  A 301 (-3.5A)
None
None
ADE  A 301 (-3.5A)
None
 1.23A 1odiE-4daoA:
34.9		 1odiE-4daoA:
36.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ODI_E_ADNE1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		7 / 11 MET A  64
ARG A  87
GLY A  92
GLU A 178
MET A 179
GLU A 180
SER A 202
 None
None
ADE  A 301 (-3.5A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
 0.36A 1odiE-4daoA:
34.9		 1odiE-4daoA:
36.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_E_ADNE1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		5 / 11 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
 0.57A 1odiE-4josA:
24.6		 1odiE-4josA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_E_ADNE1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 11 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
 0.54A 1odiE-4jwtA:
24.5		 1odiE-4jwtA:
28.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_E_ADNE1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		5 / 11 GLY B  78
GLU B 173
MET B 174
GLU B 175
SER B 197
 ADE  B 301 (-3.2A)
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
 0.55A 1odiE-4qezB:
24.1		 1odiE-4qezB:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_E_ADNE1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		5 / 11 GLY A  78
GLU A 178
MET A 179
GLU A 180
SER A 202
 ADE  A 302 (-3.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
 0.50A 1odiE-5dk6A:
24.4		 1odiE-5dk6A:
25.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ODI_F_ADNF1238_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 11 ARG A  87
GLY A  92
GLU A 178
GLU A 180
SER A 202
ILE A  94
 None
ADE  A 301 (-3.5A)
None
None
ADE  A 301 (-3.5A)
None
 1.28A 1odiF-4daoA:
34.9		 1odiF-4daoA:
36.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ODI_F_ADNF1238_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		7 / 11 MET A  64
ARG A  87
GLY A  92
GLU A 178
MET A 179
GLU A 180
SER A 202
 None
None
ADE  A 301 (-3.5A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
 0.36A 1odiF-4daoA:
34.9		 1odiF-4daoA:
36.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_F_ADNF1238_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		5 / 11 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
 0.57A 1odiF-4josA:
24.5		 1odiF-4josA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_F_ADNF1238_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 11 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
 0.52A 1odiF-4jwtA:
24.3		 1odiF-4jwtA:
28.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_F_ADNF1238_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		5 / 11 GLY B  78
GLU B 173
MET B 174
GLU B 175
SER B 197
 ADE  B 301 (-3.2A)
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
 0.55A 1odiF-4qezB:
23.8		 1odiF-4qezB:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_F_ADNF1238_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		5 / 11 GLY A  78
GLU A 178
MET A 179
GLU A 180
SER A 202
 ADE  A 302 (-3.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
 0.47A 1odiF-5dk6A:
24.1		 1odiF-5dk6A:
25.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OPJ_A_STIA3_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
THR A 265
PHE A 267
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.4A)
None
 0.69A 1opjA-2qluA:
24.2		 1opjA-2qluA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OPJ_B_STIB4_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
GLU A 230
THR A 265
PHE A 267
GLY A 271
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
None
 0.77A 1opjB-2qluA:
24.0		 1opjB-2qluA:
24.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PK7_A_ADNA1245_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		5 / 9 ARG A  87
GLY A 176
GLU A 178
MET A 179
GLU A 180
 None
None
None
ADE  A 301 ( 4.3A)
None
 1.02A 1pk7A-4daoA:
36.8		 1pk7A-4daoA:
53.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PK7_A_ADNA1245_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		9 / 9 MET A  64
ARG A  87
SER A  90
GLY A  92
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
 0.54A 1pk7A-4daoA:
36.8		 1pk7A-4daoA:
53.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK7_A_ADNA1245_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		6 / 9 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
ADE  A 301 (-2.8A)
 0.60A 1pk7A-4josA:
23.4		 1pk7A-4josA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK7_A_ADNA1245_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		6 / 9 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
ADE  A 305 (-2.8A)
 0.63A 1pk7A-4jwtA:
23.1		 1pk7A-4jwtA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK7_A_ADNA1245_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		6 / 9 SER A  79
GLY A  81
MET A 180
GLU A 181
SER A 203
ASP A 204
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
ADE  A 301 (-3.0A)
 0.46A 1pk7A-4l0mA:
22.9		 1pk7A-4l0mA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK7_A_ADNA1245_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		6 / 9 SER A  65
GLY A  67
MET A 144
GLU A 145
SER A 167
ASP A 168
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
ADE  A 501 (-2.8A)
 0.53A 1pk7A-4pr3A:
15.4		 1pk7A-4pr3A:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK7_A_ADNA1245_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		7 / 9 SER B  76
GLY B  78
GLU B 173
MET B 174
GLU B 175
SER B 197
ASP B 198
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
ADE  B 301 (-2.4A)
 0.50A 1pk7A-4qezB:
22.8		 1pk7A-4qezB:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK7_A_ADNA1245_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		7 / 9 SER A  76
GLY A  78
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
ADE  A 302 (-2.9A)
 0.58A 1pk7A-5dk6A:
23.7		 1pk7A-5dk6A:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PK7_C_ADNC1247_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		10 / 10 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
 0.53A 1pk7C-4daoA:
37.7		 1pk7C-4daoA:
53.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK7_C_ADNC1247_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		6 / 10 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
ADE  A 301 (-2.8A)
 0.55A 1pk7C-4josA:
24.2		 1pk7C-4josA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK7_C_ADNC1247_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		6 / 10 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
ADE  A 305 (-2.8A)
 0.52A 1pk7C-4jwtA:
24.0		 1pk7C-4jwtA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK7_C_ADNC1247_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		7 / 10 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
SER A 203
ASP A 204
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
ADE  A 301 (-3.0A)
 0.38A 1pk7C-4l0mA:
23.6		 1pk7C-4l0mA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK7_C_ADNC1247_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		7 / 10 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
SER A 167
ASP A 168
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
ADE  A 501 (-2.8A)
 0.45A 1pk7C-4pr3A:
8.6		 1pk7C-4pr3A:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK7_C_ADNC1247_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		5 / 10 GLY B  79
VAL B 172
GLU B 173
SER B 197
ASP B 198
 None
None
TRS  B 302 ( 4.8A)
ADE  B 301 (-3.0A)
ADE  B 301 (-2.4A)
 1.29A 1pk7C-4qezB:
23.9		 1pk7C-4qezB:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK7_C_ADNC1247_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		8 / 10 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
SER B 197
ASP B 198
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
ADE  B 301 (-2.4A)
 0.47A 1pk7C-4qezB:
23.9		 1pk7C-4qezB:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK7_C_ADNC1247_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		8 / 10 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
ADE  A 302 (-2.9A)
 0.45A 1pk7C-5dk6A:
24.6		 1pk7C-5dk6A:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PK9_A_2FAA306_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 10 ARG A  87
GLY A 176
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 1.49A 1pk9A-4daoA:
36.6		 1pk9A-4daoA:
53.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PK9_A_2FAA306_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		10 / 10 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
 0.57A 1pk9A-4daoA:
36.6		 1pk9A-4daoA:
53.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_A_2FAA306_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		6 / 10 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
ADE  A 301 (-2.8A)
 0.50A 1pk9A-4josA:
23.4		 1pk9A-4josA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_A_2FAA306_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		6 / 10 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
ADE  A 305 (-2.8A)
 0.54A 1pk9A-4jwtA:
23.1		 1pk9A-4jwtA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_A_2FAA306_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		7 / 10 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
SER A 203
ASP A 204
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
ADE  A 301 (-3.0A)
 0.40A 1pk9A-4l0mA:
22.9		 1pk9A-4l0mA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_A_2FAA306_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		7 / 10 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
SER A 167
ASP A 168
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
ADE  A 501 (-2.8A)
 0.48A 1pk9A-4pr3A:
13.7		 1pk9A-4pr3A:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_A_2FAA306_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		8 / 10 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
SER B 197
ASP B 198
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
ADE  B 301 (-2.4A)
 0.47A 1pk9A-4qezB:
22.8		 1pk9A-4qezB:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_A_2FAA306_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		8 / 10 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
ADE  A 302 (-2.9A)
 0.48A 1pk9A-5dk6A:
23.7		 1pk9A-5dk6A:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PK9_B_2FAB307_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		5 / 9 ARG A  87
GLY A 176
GLU A 178
MET A 179
GLU A 180
 None
None
None
ADE  A 301 ( 4.3A)
None
 1.01A 1pk9B-4daoA:
37.2		 1pk9B-4daoA:
53.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PK9_B_2FAB307_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		9 / 9 MET A  64
ARG A  87
SER A  90
GLY A  92
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
 0.50A 1pk9B-4daoA:
37.2		 1pk9B-4daoA:
53.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_B_2FAB307_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		6 / 9 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
ADE  A 301 (-2.8A)
 0.51A 1pk9B-4josA:
23.6		 1pk9B-4josA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_B_2FAB307_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		6 / 9 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
ADE  A 305 (-2.8A)
 0.54A 1pk9B-4jwtA:
23.2		 1pk9B-4jwtA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_B_2FAB307_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		6 / 9 SER A  79
GLY A  81
MET A 180
GLU A 181
SER A 203
ASP A 204
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
ADE  A 301 (-3.0A)
 0.37A 1pk9B-4l0mA:
22.9		 1pk9B-4l0mA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_B_2FAB307_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		6 / 9 SER A  65
GLY A  67
MET A 144
GLU A 145
SER A 167
ASP A 168
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
ADE  A 501 (-2.8A)
 0.50A 1pk9B-4pr3A:
14.9		 1pk9B-4pr3A:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_B_2FAB307_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		7 / 9 SER B  76
GLY B  78
GLU B 173
MET B 174
GLU B 175
SER B 197
ASP B 198
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
ADE  B 301 (-2.4A)
 0.38A 1pk9B-4qezB:
22.9		 1pk9B-4qezB:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_B_2FAB307_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		7 / 9 SER A  76
GLY A  78
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
ADE  A 302 (-2.9A)
 0.43A 1pk9B-5dk6A:
23.8		 1pk9B-5dk6A:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		9 / 11 ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ILE A  94
 None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
None
 1.36A 1pk9C-4daoA:
36.1		 1pk9C-4daoA:
53.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 11 ARG A  87
VAL A 177
GLU A 178
MET A 179
GLU A 180
ILE A 166
 None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
None
 1.36A 1pk9C-4daoA:
36.1		 1pk9C-4daoA:
53.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		10 / 11 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
 0.61A 1pk9C-4daoA:
36.1		 1pk9C-4daoA:
53.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		6 / 11 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
ADE  A 301 (-2.8A)
 0.44A 1pk9C-4josA:
24.3		 1pk9C-4josA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		6 / 11 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
ADE  A 305 (-2.8A)
 0.41A 1pk9C-4jwtA:
24.1		 1pk9C-4jwtA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		7 / 11 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
SER A 203
ASP A 204
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
ADE  A 301 (-3.0A)
 0.33A 1pk9C-4l0mA:
23.9		 1pk9C-4l0mA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		7 / 11 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
SER A 203
ILE A  83
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
None
 1.20A 1pk9C-4l0mA:
23.9		 1pk9C-4l0mA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		7 / 11 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
SER A 167
ASP A 168
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
ADE  A 501 (-2.8A)
 0.35A 1pk9C-4pr3A:
13.6		 1pk9C-4pr3A:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		5 / 11 GLY B  79
VAL B 172
GLU B 173
SER B 197
ASP B 198
 None
None
TRS  B 302 ( 4.8A)
ADE  B 301 (-3.0A)
ADE  B 301 (-2.4A)
 1.25A 1pk9C-4qezB:
24.0		 1pk9C-4qezB:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		8 / 11 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
SER B 197
ASP B 198
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
ADE  B 301 (-2.4A)
 0.44A 1pk9C-4qezB:
24.0		 1pk9C-4qezB:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		8 / 11 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
ADE  A 302 (-2.9A)
 0.38A 1pk9C-5dk6A:
24.6		 1pk9C-5dk6A:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 10 ARG A  87
GLY A 176
GLU A 178
MET A 179
GLU A 180
ILE A  94
 None
None
None
ADE  A 301 ( 4.3A)
None
None
 1.07A 1pw7A-4daoA:
36.8		 1pw7A-4daoA:
53.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		7 / 10 ARG A  87
SER A  90
GLY A  92
GLU A 178
MET A 179
GLU A 180
ILE A  94
 None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
None
ADE  A 301 ( 4.3A)
None
None
 1.35A 1pw7A-4daoA:
36.8		 1pw7A-4daoA:
53.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		5 / 10 ARG A  87
SER A  90
MET A  64
GLU A 180
SER A 202
 None
ADE  A 301 (-3.4A)
None
None
ADE  A 301 (-3.5A)
 1.50A 1pw7A-4daoA:
36.8		 1pw7A-4daoA:
53.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		9 / 10 MET A  64
ARG A  87
SER A  90
GLY A  92
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
 0.49A 1pw7A-4daoA:
36.8		 1pw7A-4daoA:
53.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		6 / 10 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
ADE  A 301 (-2.8A)
 0.59A 1pw7A-4josA:
23.5		 1pw7A-4josA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		6 / 10 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
ADE  A 305 (-2.8A)
 0.63A 1pw7A-4jwtA:
23.1		 1pw7A-4jwtA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		5 / 10 SER A  79
GLY A  81
MET A 180
GLU A 181
ILE A  83
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
ADE  A 301 ( 4.2A)
None
None
 1.31A 1pw7A-4l0mA:
23.0		 1pw7A-4l0mA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		6 / 10 SER A  79
GLY A  81
MET A 180
GLU A 181
SER A 203
ASP A 204
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
ADE  A 301 (-3.0A)
 0.44A 1pw7A-4l0mA:
23.0		 1pw7A-4l0mA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		6 / 10 SER A  65
GLY A  67
MET A 144
GLU A 145
SER A 167
ASP A 168
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
ADE  A 501 (-2.8A)
 0.55A 1pw7A-4pr3A:
13.6		 1pw7A-4pr3A:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		7 / 10 SER B  76
GLY B  78
GLU B 173
MET B 174
GLU B 175
SER B 197
ASP B 198
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
ADE  B 301 (-2.4A)
 0.45A 1pw7A-4qezB:
22.8		 1pw7A-4qezB:
25.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		7 / 10 SER A  76
GLY A  78
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
ADE  A 302 (-2.9A)
 0.52A 1pw7A-5dk6A:
23.8		 1pw7A-5dk6A:
24.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PW7_B_RABB646_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 9 ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
ILE A  94
 None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
None
 1.46A 1pw7B-4daoA:
37.6		 1pw7B-4daoA:
53.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PW7_B_RABB646_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 9 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 0.44A 1pw7B-4daoA:
37.6		 1pw7B-4daoA:
53.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PW7_B_RABB646_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		7 / 9 MET A  64
ARG A  87
VAL A 177
GLU A 178
MET A 179
GLU A 180
ILE A 166
 None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
None
 1.38A 1pw7B-4daoA:
37.6		 1pw7B-4daoA:
53.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_B_RABB646_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		6 / 9 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
ILE A  83
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
None
 1.32A 1pw7B-4l0mA:
23.2		 1pw7B-4l0mA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_B_RABB646_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		5 / 9 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
 0.35A 1pw7B-4pr3A:
8.9		 1pw7B-4pr3A:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_B_RABB646_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		6 / 9 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
 0.51A 1pw7B-4qezB:
23.3		 1pw7B-4qezB:
25.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_B_RABB646_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		6 / 9 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
 0.48A 1pw7B-5dk6A:
24.1		 1pw7B-5dk6A:
24.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PW7_C_RABC647_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 9 MET A  64
SER A  90
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 None
ADE  A 301 (-3.4A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
 0.51A 1pw7C-4daoA:
37.6		 1pw7C-4daoA:
53.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PW7_C_RABC647_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 9 SER A  90
VAL A 177
GLU A 178
MET A 179
GLU A 180
ILE A  94
 ADE  A 301 (-3.4A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
None
 1.48A 1pw7C-4daoA:
37.6		 1pw7C-4daoA:
53.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PW7_C_RABC647_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		5 / 9 VAL A 177
GLU A 178
MET A 179
GLU A 180
ILE A 166
 ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
None
 1.35A 1pw7C-4daoA:
37.6		 1pw7C-4daoA:
53.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_C_RABC647_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		5 / 9 GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
ADE  A 301 (-2.8A)
 0.55A 1pw7C-4josA:
24.1		 1pw7C-4josA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_C_RABC647_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 9 GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
ADE  A 305 (-2.8A)
 0.56A 1pw7C-4jwtA:
23.9		 1pw7C-4jwtA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_C_RABC647_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		5 / 9 SER A  79
VAL A 178
MET A 180
GLU A 181
ILE A  83
 ADE  A 301 (-3.5A)
None
ADE  A 301 ( 4.2A)
None
None
 1.28A 1pw7C-4l0mA:
23.5		 1pw7C-4l0mA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_C_RABC647_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		6 / 9 SER A  79
VAL A 178
MET A 180
GLU A 181
SER A 203
ASP A 204
 ADE  A 301 (-3.5A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
ADE  A 301 (-3.0A)
 0.40A 1pw7C-4l0mA:
23.5		 1pw7C-4l0mA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_C_RABC647_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		6 / 9 SER A  65
VAL A 142
MET A 144
GLU A 145
SER A 167
ASP A 168
 ADE  A 501 (-3.5A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
ADE  A 501 (-2.8A)
 0.52A 1pw7C-4pr3A:
9.5		 1pw7C-4pr3A:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_C_RABC647_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		7 / 9 SER B  76
VAL B 172
GLU B 173
MET B 174
GLU B 175
SER B 197
ASP B 198
 TRS  B 302 (-2.8A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
ADE  B 301 (-2.4A)
 0.45A 1pw7C-4qezB:
23.7		 1pw7C-4qezB:
25.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_C_RABC647_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		7 / 9 SER A  76
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 ADE  A 302 ( 3.7A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
ADE  A 302 (-2.9A)
 0.50A 1pw7C-5dk6A:
24.5		 1pw7C-5dk6A:
24.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 1wta 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(Aeropyrum
pernix) 		5 / 10 GLY A  98
PHE A 175
GLY A 194
MET A 195
THR A 218
 ADE  A1300 (-3.5A)
ADE  A1300 (-4.7A)
ADE  A1300 (-3.5A)
ADE  A1300 (-4.4A)
ADE  A1300 (-4.3A)
 0.38A 1pwyE-1wtaA:
24.4		 1pwyE-1wtaA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		5 / 10 GLY A  92
PHE A 159
VAL A 177
MET A 179
VAL A 205
 ADE  A 301 (-3.5A)
ADE  A 301 (-4.0A)
ADE  A 301 (-4.4A)
ADE  A 301 ( 4.3A)
ADE  A 301 (-4.3A)
 0.84A 1pwyE-4daoA:
19.8		 1pwyE-4daoA:
20.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		6 / 10 GLY A 113
GLU A 192
VAL A 208
GLY A 209
MET A 210
THR A 233
 ADE  A 502 (-3.6A)
ADE  A 502 (-2.9A)
ADE  A 502 (-4.5A)
ADE  A 502 (-3.5A)
MPD  A 503 ( 3.2A)
ADE  A 502 (-4.3A)
 0.35A 1pwyE-4lnaA:
37.5		 1pwyE-4lnaA:
46.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		5 / 10 GLY A 209
GLU A 192
VAL A 186
GLY A 188
VAL A 208
 ADE  A 502 (-3.5A)
ADE  A 502 (-2.9A)
None
None
ADE  A 502 (-4.5A)
 1.16A 1pwyE-4lnaA:
37.5		 1pwyE-4lnaA:
46.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE
(Planctopirus
limnophila) 		6 / 10 GLY A 116
GLU A 194
VAL A 210
GLY A 211
MET A 212
THR A 235
 ADE  A 401 (-3.7A)
ADE  A 401 (-2.7A)
ADE  A 401 (-4.4A)
ADE  A 401 (-3.4A)
ADE  A 401 (-4.2A)
ADE  A 401 (-4.3A)
 0.33A 1pwyE-4m1eA:
39.2		 1pwyE-4m1eA:
45.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5f7o METHYLTHIOADENOSINE
PHOSPHORYLASE
(Schistosoma
mansoni) 		5 / 10 GLY A  90
PHE A 187
VAL A 204
MET A 206
THR A 229
 ADE  A 301 (-3.5A)
ADE  A 301 (-4.8A)
ADE  A 301 (-4.1A)
ADE  A 301 (-4.3A)
ADE  A 301 (-4.3A)
 0.36A 1pwyE-5f7oA:
22.7		 1pwyE-5f7oA:
26.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  16
HIS A 196
ASP A 277
ASP A 278
TYR A  63
 ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
ADE  A 328 (-4.0A)
 1.28A 1t69A-3paoA:
undetectable		 1t69A-3paoA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.26A 1t69A-3rysA:
undetectable		 1t69A-3rysA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T9U_A_CPFA5002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 2qes RIBOSOME-INACTIVATIN
G PROTEIN PD-L4
(Phytolacca
dioica) 		4 / 6 PHE A  89
ASN A  90
ARG A  67
ASN A  70
 ADE  A 501 ( 4.9A)
None
None
None
 1.36A 1t9uA-2qesA:
0.0		 1t9uA-2qesA:
12.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWH_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
GLU A 230
LEU A 245
THR A 265
LEU A 301
HIS A 319
 ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
None
None
 0.82A 1uwhA-2qluA:
25.2		 1uwhA-2qluA:
25.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWH_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 ALA A 215
LYS A 217
GLU A 230
LEU A 245
THR A 265
LEU A 301
HIS A 319
 ADE  A 488 (-3.2A)
None
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
None
None
 0.82A 1uwhB-2qluA:
25.1		 1uwhB-2qluA:
25.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWJ_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
GLU A 230
LEU A 245
THR A 265
LEU A 301
HIS A 319
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
None
None
 0.88A 1uwjA-2qluA:
6.5		 1uwjA-2qluA:
25.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWJ_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
GLU A 230
LEU A 245
THR A 265
LEU A 301
HIS A 319
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
None
None
 0.87A 1uwjB-2qluA:
6.7		 1uwjB-2qluA:
25.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 1wta 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(Aeropyrum
pernix) 		5 / 10 GLY A  98
PHE A 175
GLY A 194
MET A 195
THR A 218
 ADE  A1300 (-3.5A)
ADE  A1300 (-4.7A)
ADE  A1300 (-3.5A)
ADE  A1300 (-4.4A)
ADE  A1300 (-4.3A)
 0.33A 1v3qE-1wtaA:
24.9		 1v3qE-1wtaA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		5 / 10 GLY A  92
PHE A 159
VAL A 177
MET A 179
VAL A 205
 ADE  A 301 (-3.5A)
ADE  A 301 (-4.0A)
ADE  A 301 (-4.4A)
ADE  A 301 ( 4.3A)
ADE  A 301 (-4.3A)
 0.76A 1v3qE-4daoA:
19.7		 1v3qE-4daoA:
20.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		6 / 10 GLY A 113
GLU A 192
VAL A 208
GLY A 209
MET A 210
THR A 233
 ADE  A 502 (-3.6A)
ADE  A 502 (-2.9A)
ADE  A 502 (-4.5A)
ADE  A 502 (-3.5A)
MPD  A 503 ( 3.2A)
ADE  A 502 (-4.3A)
 0.26A 1v3qE-4lnaA:
38.5		 1v3qE-4lnaA:
46.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE
(Planctopirus
limnophila) 		6 / 10 GLY A 116
GLU A 194
VAL A 210
GLY A 211
MET A 212
THR A 235
 ADE  A 401 (-3.7A)
ADE  A 401 (-2.7A)
ADE  A 401 (-4.4A)
ADE  A 401 (-3.4A)
ADE  A 401 (-4.2A)
ADE  A 401 (-4.3A)
 0.23A 1v3qE-4m1eA:
39.8		 1v3qE-4m1eA:
45.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5f7o METHYLTHIOADENOSINE
PHOSPHORYLASE
(Schistosoma
mansoni) 		5 / 10 GLY A  90
PHE A 187
VAL A 204
MET A 206
THR A 229
 ADE  A 301 (-3.5A)
ADE  A 301 (-4.8A)
ADE  A 301 (-4.1A)
ADE  A 301 (-4.3A)
ADE  A 301 (-4.3A)
 0.29A 1v3qE-5f7oA:
23.0		 1v3qE-5f7oA:
26.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V8B_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.42A 1v8bA-3oneA:
58.1		 1v8bA-3oneA:
57.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V8B_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
THR A 206
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.57A 1v8bA-3oneA:
58.1		 1v8bA-3oneA:
57.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V8B_B_ADNB1502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.27A 1v8bB-3oneA:
57.8		 1v8bB-3oneA:
57.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V8B_B_ADNB1502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
THR A 206
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.54A 1v8bB-3oneA:
57.8		 1v8bB-3oneA:
57.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V8B_C_ADNC2502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.41A 1v8bC-3oneA:
58.1		 1v8bC-3oneA:
57.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V8B_C_ADNC2502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		11 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.59A 1v8bC-3oneA:
58.1		 1v8bC-3oneA:
57.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V8B_D_ADND3502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.41A 1v8bD-3oneA:
57.9		 1v8bD-3oneA:
57.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V8B_D_ADND3502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
THR A 206
HIS A 404
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
ADE  A 506 (-3.4A)
 1.42A 1v8bD-3oneA:
57.9		 1v8bD-3oneA:
57.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V8B_D_ADND3502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
THR A 206
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.56A 1v8bD-3oneA:
57.9		 1v8bD-3oneA:
57.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VHW_A_ADNA252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		7 / 11 ARG A  87
GLY A 176
VAL A 177
GLU A 178
MET A 179
GLU A 180
ILE A  94
 None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
None
 1.48A 1vhwA-4daoA:
37.2
1vhwD-4daoA:
37.0		 1vhwA-4daoA:
50.97
1vhwD-4daoA:
50.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VHW_A_ADNA252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 11 ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
ILE A  94
 None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
None
 1.42A 1vhwA-4daoA:
37.2
1vhwD-4daoA:
37.0		 1vhwA-4daoA:
50.97
1vhwD-4daoA:
50.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VHW_A_ADNA252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 11 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 0.47A 1vhwA-4daoA:
37.2
1vhwD-4daoA:
37.0		 1vhwA-4daoA:
50.97
1vhwD-4daoA:
50.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VHW_A_ADNA252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		5 / 11 VAL A 177
GLU A 178
MET A 179
GLU A 180
ILE A 166
 ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
None
 1.35A 1vhwA-4daoA:
37.2
1vhwD-4daoA:
37.0		 1vhwA-4daoA:
50.97
1vhwD-4daoA:
50.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_A_ADNA252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		6 / 11 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
ILE A  83
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
None
 1.30A 1vhwA-4l0mA:
23.2
1vhwD-4l0mA:
23.2		 1vhwA-4l0mA:
22.85
1vhwD-4l0mA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_A_ADNA252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		5 / 11 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
 0.44A 1vhwA-4pr3A:
14.9
1vhwD-4pr3A:
14.8		 1vhwA-4pr3A:
21.83
1vhwD-4pr3A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_A_ADNA252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		6 / 11 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
 0.52A 1vhwA-4qezB:
23.3
1vhwD-4qezB:
23.2		 1vhwA-4qezB:
28.52
1vhwD-4qezB:
28.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_A_ADNA252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		6 / 11 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
 0.46A 1vhwA-5dk6A:
24.2
1vhwD-5dk6A:
24.1		 1vhwA-5dk6A:
24.14
1vhwD-5dk6A:
24.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VHW_B_ADNB252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		5 / 9 ARG A  87
GLY A 176
VAL A 177
MET A 179
GLU A 180
 None
None
ADE  A 301 (-4.4A)
ADE  A 301 ( 4.3A)
None
 1.44A 1vhwB-4daoA:
37.5
1vhwF-4daoA:
37.0		 1vhwB-4daoA:
50.97
1vhwF-4daoA:
50.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VHW_B_ADNB252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		7 / 9 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 177
MET A 179
GLU A 180
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
ADE  A 301 ( 4.3A)
None
 0.48A 1vhwB-4daoA:
37.5
1vhwF-4daoA:
37.0		 1vhwB-4daoA:
50.97
1vhwF-4daoA:
50.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_B_ADNB252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		5 / 9 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
 0.40A 1vhwB-4l0mA:
23.4
1vhwF-4l0mA:
23.2		 1vhwB-4l0mA:
22.85
1vhwF-4l0mA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_B_ADNB252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		5 / 9 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
 0.43A 1vhwB-4pr3A:
15.1
1vhwF-4pr3A:
15.1		 1vhwB-4pr3A:
21.83
1vhwF-4pr3A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_B_ADNB252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		5 / 9 SER B  76
GLY B  78
VAL B 172
MET B 174
GLU B 175
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
 0.47A 1vhwB-4qezB:
23.4
1vhwF-4qezB:
23.3		 1vhwB-4qezB:
28.52
1vhwF-4qezB:
28.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_B_ADNB252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		5 / 9 SER A  76
GLY A  78
VAL A 177
MET A 179
GLU A 180
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
ADE  A 302 (-4.1A)
None
 0.41A 1vhwB-5dk6A:
24.3
1vhwF-5dk6A:
24.1		 1vhwB-5dk6A:
24.14
1vhwF-5dk6A:
24.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VHW_C_ADNC252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 11 ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
ILE A  94
 None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
None
 1.48A 1vhwC-4daoA:
37.1
1vhwE-4daoA:
37.3		 1vhwC-4daoA:
50.97
1vhwE-4daoA:
50.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VHW_C_ADNC252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 11 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 0.46A 1vhwC-4daoA:
37.1
1vhwE-4daoA:
37.3		 1vhwC-4daoA:
50.97
1vhwE-4daoA:
50.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VHW_C_ADNC252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		5 / 11 VAL A 177
GLU A 178
MET A 179
GLU A 180
ILE A 166
 ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
None
 1.38A 1vhwC-4daoA:
37.1
1vhwE-4daoA:
37.3		 1vhwC-4daoA:
50.97
1vhwE-4daoA:
50.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_C_ADNC252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		6 / 11 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
ILE A  83
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
None
 1.37A 1vhwC-4l0mA:
23.2
1vhwE-4l0mA:
23.3		 1vhwC-4l0mA:
22.85
1vhwE-4l0mA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_C_ADNC252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		5 / 11 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
 0.42A 1vhwC-4pr3A:
14.8
1vhwE-4pr3A:
15.0		 1vhwC-4pr3A:
21.83
1vhwE-4pr3A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_C_ADNC252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		6 / 11 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
 0.50A 1vhwC-4qezB:
23.3
1vhwE-4qezB:
23.4		 1vhwC-4qezB:
28.52
1vhwE-4qezB:
28.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_C_ADNC252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		6 / 11 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
 0.46A 1vhwC-5dk6A:
24.2
1vhwE-5dk6A:
24.2		 1vhwC-5dk6A:
24.14
1vhwE-5dk6A:
24.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VHW_D_ADND252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		7 / 11 ARG A  87
GLY A 176
VAL A 177
GLU A 178
MET A 179
GLU A 180
ILE A  94
 None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
None
 1.49A 1vhwA-4daoA:
37.2
1vhwD-4daoA:
37.0		 1vhwA-4daoA:
50.97
1vhwD-4daoA:
50.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VHW_D_ADND252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 11 ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
ILE A  94
 None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
None
 1.45A 1vhwA-4daoA:
37.2
1vhwD-4daoA:
37.0		 1vhwA-4daoA:
50.97
1vhwD-4daoA:
50.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VHW_D_ADND252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 11 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 0.45A 1vhwA-4daoA:
37.2
1vhwD-4daoA:
37.0		 1vhwA-4daoA:
50.97
1vhwD-4daoA:
50.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VHW_D_ADND252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		5 / 11 VAL A 177
GLU A 178
MET A 179
GLU A 180
ILE A 166
 ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
None
 1.36A 1vhwA-4daoA:
37.2
1vhwD-4daoA:
37.0		 1vhwA-4daoA:
50.97
1vhwD-4daoA:
50.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_D_ADND252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		6 / 11 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
ILE A  83
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
None
 1.34A 1vhwA-4l0mA:
23.2
1vhwD-4l0mA:
23.2		 1vhwA-4l0mA:
22.85
1vhwD-4l0mA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_D_ADND252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		5 / 11 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
 0.42A 1vhwA-4pr3A:
14.8
1vhwD-4pr3A:
14.8		 1vhwA-4pr3A:
21.83
1vhwD-4pr3A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_D_ADND252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		6 / 11 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
 0.50A 1vhwA-4qezB:
23.4
1vhwD-4qezB:
23.2		 1vhwA-4qezB:
28.52
1vhwD-4qezB:
28.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_D_ADND252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		6 / 11 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
 0.46A 1vhwA-5dk6A:
24.2
1vhwD-5dk6A:
24.1		 1vhwA-5dk6A:
24.14
1vhwD-5dk6A:
24.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VHW_E_ADNE252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		7 / 11 ARG A  87
GLY A 176
VAL A 177
GLU A 178
MET A 179
GLU A 180
ILE A  94
 None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
None
 1.47A 1vhwC-4daoA:
37.1
1vhwE-4daoA:
37.3		 1vhwC-4daoA:
50.97
1vhwE-4daoA:
50.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VHW_E_ADNE252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 11 ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
ILE A  94
 None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
None
 1.41A 1vhwC-4daoA:
37.1
1vhwE-4daoA:
37.3		 1vhwC-4daoA:
50.97
1vhwE-4daoA:
50.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VHW_E_ADNE252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 11 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 0.45A 1vhwC-4daoA:
37.1
1vhwE-4daoA:
37.3		 1vhwC-4daoA:
50.97
1vhwE-4daoA:
50.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VHW_E_ADNE252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		5 / 11 VAL A 177
GLU A 178
MET A 179
GLU A 180
ILE A 166
 ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
None
 1.35A 1vhwC-4daoA:
37.1
1vhwE-4daoA:
37.3		 1vhwC-4daoA:
50.97
1vhwE-4daoA:
50.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_E_ADNE252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		6 / 11 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
ILE A  83
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
None
 1.30A 1vhwC-4l0mA:
23.2
1vhwE-4l0mA:
23.3		 1vhwC-4l0mA:
22.85
1vhwE-4l0mA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_E_ADNE252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		5 / 11 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
 0.43A 1vhwC-4pr3A:
14.8
1vhwE-4pr3A:
15.8		 1vhwC-4pr3A:
21.83
1vhwE-4pr3A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_E_ADNE252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		6 / 11 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
 0.52A 1vhwC-4qezB:
23.3
1vhwE-4qezB:
23.4		 1vhwC-4qezB:
28.52
1vhwE-4qezB:
28.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_E_ADNE252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		6 / 11 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
 0.46A 1vhwC-5dk6A:
24.2
1vhwE-5dk6A:
24.2		 1vhwC-5dk6A:
24.14
1vhwE-5dk6A:
24.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VHW_F_ADNF252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 10 ARG A  87
GLY A 176
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 1.44A 1vhwB-4daoA:
37.5
1vhwF-4daoA:
37.0		 1vhwB-4daoA:
50.97
1vhwF-4daoA:
50.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VHW_F_ADNF252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 10 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 0.48A 1vhwB-4daoA:
37.5
1vhwF-4daoA:
37.0		 1vhwB-4daoA:
50.97
1vhwF-4daoA:
50.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_F_ADNF252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		5 / 10 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
 0.39A 1vhwB-4l0mA:
23.4
1vhwF-4l0mA:
23.2		 1vhwB-4l0mA:
22.85
1vhwF-4l0mA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_F_ADNF252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		5 / 10 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
 0.43A 1vhwB-4pr3A:
15.1
1vhwF-4pr3A:
15.1		 1vhwB-4pr3A:
21.83
1vhwF-4pr3A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_F_ADNF252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		6 / 10 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
 0.51A 1vhwB-4qezB:
23.5
1vhwF-4qezB:
23.3		 1vhwB-4qezB:
28.52
1vhwF-4qezB:
28.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_F_ADNF252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		6 / 10 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
 0.48A 1vhwB-5dk6A:
24.3
1vhwF-5dk6A:
24.1		 1vhwB-5dk6A:
24.14
1vhwF-5dk6A:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W5U_D_DVAD8_0
(GRAMICIDIN D)		 3waz PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pyrococcus
abyssi) 		3 / 3 VAL A 166
VAL A 164
TRP A  64
 None
ADE  A 301 (-3.8A)
None
 0.93A 1w5uC-3wazA:
undetectable
1w5uD-3wazA:
undetectable		 1w5uC-3wazA:
5.35
1w5uD-3wazA:
5.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XKK_A_FMMA91_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
THR A 265
GLY A 271
ASP A 275
LEU A 328
ASP A 339
 ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
None
ADE  A 488 (-4.4A)
None
 0.52A 1xkkA-2qluA:
24.9		 1xkkA-2qluA:
25.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XKK_A_FMMA91_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
THR A 265
GLY A 271
LEU A 328
ASP A 339
PHE A 340
 ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
None
 0.87A 1xkkA-2qluA:
24.9		 1xkkA-2qluA:
25.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_A_ADNA433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
ASP A 139
ASP A 239
LEU A 398
GLY A 403
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.94A 1xwfA-3oneA:
49.6		 1xwfA-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_A_ADNA433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
THR A  64
ASP A 139
ASP A 239
GLY A 403
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.79A 1xwfA-3oneA:
49.6		 1xwfA-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_A_ADNA433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 LEU A  61
ASP A 239
LEU A 395
LEU A 398
GLY A 403
MET A 409
PHE A 413
 None
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 1.06A 1xwfA-3oneA:
49.6		 1xwfA-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_A_ADNA433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 LEU A  61
HIS A  62
ASP A 239
LEU A 398
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.92A 1xwfA-3oneA:
49.6		 1xwfA-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_A_ADNA433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 239
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.82A 1xwfA-3oneA:
49.6		 1xwfA-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_A_ADNA433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 LEU A  61
HIS A 350
LEU A 395
LEU A 398
GLY A 403
MET A 409
PHE A 413
 None
None
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.91A 1xwfA-3oneA:
49.6		 1xwfA-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_A_ADNA433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 LEU A  61
THR A  64
HIS A 350
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-2.8A)
None
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.97A 1xwfA-3oneA:
49.6		 1xwfA-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_B_ADNB433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
ASP A 139
ASP A 239
LEU A 398
GLY A 403
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.97A 1xwfB-3oneA:
49.7		 1xwfB-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_B_ADNB433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
THR A  64
ASP A 139
ASP A 239
GLY A 403
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.80A 1xwfB-3oneA:
49.7		 1xwfB-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_B_ADNB433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 LEU A  61
ASP A 239
LEU A 395
LEU A 398
GLY A 403
MET A 409
 None
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
 1.06A 1xwfB-3oneA:
49.7		 1xwfB-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_B_ADNB433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 LEU A  61
HIS A  62
ASP A 239
LEU A 398
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.96A 1xwfB-3oneA:
49.7		 1xwfB-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_B_ADNB433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 239
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.83A 1xwfB-3oneA:
49.7		 1xwfB-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_B_ADNB433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 LEU A  61
HIS A 350
LEU A 395
LEU A 398
GLY A 403
MET A 409
 None
None
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
 0.85A 1xwfB-3oneA:
49.7		 1xwfB-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_B_ADNB433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 LEU A  61
HIS A 350
LEU A 398
GLY A 403
MET A 409
PHE A 413
 None
None
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.87A 1xwfB-3oneA:
49.7		 1xwfB-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_B_ADNB433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 LEU A  61
THR A  64
HIS A 350
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-2.8A)
None
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.92A 1xwfB-3oneA:
49.7		 1xwfB-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_C_ADNC433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
ASP A 139
ASP A 239
LEU A 398
GLY A 403
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.97A 1xwfC-3oneA:
49.5		 1xwfC-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_C_ADNC433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
THR A  64
ASP A 139
ASP A 239
GLY A 403
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.81A 1xwfC-3oneA:
49.5		 1xwfC-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_C_ADNC433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 LEU A  61
ASP A 239
LEU A 395
LEU A 398
GLY A 403
MET A 409
 None
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
 1.04A 1xwfC-3oneA:
49.5		 1xwfC-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_C_ADNC433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 LEU A  61
HIS A  62
ASP A 239
LEU A 398
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.95A 1xwfC-3oneA:
49.5		 1xwfC-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_C_ADNC433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 239
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.84A 1xwfC-3oneA:
49.5		 1xwfC-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_C_ADNC433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 LEU A  61
HIS A 350
LEU A 395
LEU A 398
GLY A 403
MET A 409
 None
None
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
 0.89A 1xwfC-3oneA:
49.5		 1xwfC-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_C_ADNC433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 LEU A  61
HIS A 350
LEU A 398
GLY A 403
MET A 409
PHE A 413
 None
None
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.90A 1xwfC-3oneA:
49.5		 1xwfC-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_C_ADNC433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 LEU A  61
THR A  64
HIS A 350
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-2.8A)
None
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.97A 1xwfC-3oneA:
49.5		 1xwfC-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_D_ADND433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
ASP A 139
ASP A 239
LEU A 398
GLY A 403
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 1.00A 1xwfD-3oneA:
49.4		 1xwfD-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_D_ADND433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
THR A  64
ASP A 139
ASP A 239
GLY A 403
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.82A 1xwfD-3oneA:
49.4		 1xwfD-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_D_ADND433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 LEU A  61
ASP A 239
LEU A 395
LEU A 398
GLY A 403
MET A 409
 None
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
 1.05A 1xwfD-3oneA:
49.4		 1xwfD-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_D_ADND433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 LEU A  61
ASP A 239
LEU A 398
GLY A 403
MET A 409
PHE A 413
 None
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.98A 1xwfD-3oneA:
49.4		 1xwfD-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_D_ADND433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 LEU A  61
HIS A 350
LEU A 395
LEU A 398
GLY A 403
MET A 409
 None
None
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
 0.90A 1xwfD-3oneA:
49.4		 1xwfD-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_D_ADND433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 LEU A  61
HIS A 350
LEU A 398
GLY A 403
MET A 409
PHE A 413
 None
None
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.91A 1xwfD-3oneA:
49.4		 1xwfD-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_D_ADND433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 LEU A  61
THR A  64
ASP A 239
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-2.8A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.87A 1xwfD-3oneA:
49.4		 1xwfD-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XWF_D_ADND433_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 LEU A  61
THR A  64
HIS A 350
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-2.8A)
None
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.97A 1xwfD-3oneA:
49.4		 1xwfD-3oneA:
57.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Y93_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		4 / 6 ILE A 139
HIS A  21
HIS A  19
HIS A 199
 None
ADE  A 345 ( 3.2A)
ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
 0.88A 1y93A-3rysA:
undetectable		 1y93A-3rysA:
19.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1Z35_A_2FAA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 10 MET A  64
ARG A  87
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
 None
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
 0.47A 1z35A-4daoA:
36.2		 1z35A-4daoA:
46.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z35_A_2FAA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		5 / 10 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
 0.60A 1z35A-4josA:
23.3		 1z35A-4josA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z35_A_2FAA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 10 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
 0.64A 1z35A-4jwtA:
22.8		 1z35A-4jwtA:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z35_A_2FAA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		5 / 10 GLY A  81
VAL A 178
MET A 180
GLU A 181
SER A 203
 ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
 0.52A 1z35A-4l0mA:
22.7		 1z35A-4l0mA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z35_A_2FAA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		5 / 10 GLY A  67
VAL A 142
MET A 144
GLU A 145
SER A 167
 ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
 0.61A 1z35A-4pr3A:
9.8		 1z35A-4pr3A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z35_A_2FAA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		6 / 10 GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
SER B 197
 ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
 0.63A 1z35A-4qezB:
22.8		 1z35A-4qezB:
25.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z35_A_2FAA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		6 / 10 GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
 ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
 0.59A 1z35A-5dk6A:
23.2		 1z35A-5dk6A:
24.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1Z37_A_ADNA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 9 ARG A  87
GLY A 176
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 1.44A 1z37A-4daoA:
36.2		 1z37A-4daoA:
46.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1Z37_A_ADNA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 9 MET A  64
ARG A  87
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
 None
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
 0.31A 1z37A-4daoA:
36.2		 1z37A-4daoA:
46.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z37_A_ADNA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		5 / 9 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
 0.47A 1z37A-4josA:
23.2		 1z37A-4josA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z37_A_ADNA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 9 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
 0.49A 1z37A-4jwtA:
22.7		 1z37A-4jwtA:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z37_A_ADNA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		5 / 9 GLY A  81
VAL A 178
MET A 180
GLU A 181
SER A 203
 ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
 0.41A 1z37A-4l0mA:
22.7		 1z37A-4l0mA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z37_A_ADNA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		5 / 9 GLY A  67
VAL A 142
MET A 144
GLU A 145
SER A 167
 ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
 0.54A 1z37A-4pr3A:
9.7		 1z37A-4pr3A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z37_A_ADNA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		6 / 9 GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
SER B 197
 ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
 0.62A 1z37A-4qezB:
22.9		 1z37A-4qezB:
25.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z37_A_ADNA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		6 / 9 GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
 ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
 0.47A 1z37A-5dk6A:
23.4		 1z37A-5dk6A:
24.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 11 LEU A 140
HIS A  18
ASP A 278
GLY A  21
TYR A  63
 None
ADE  A 328 ( 3.0A)
ADE  A 328 (-2.8A)
None
ADE  A 328 (-4.0A)
 1.21A 1zz1A-3paoA:
undetectable		 1zz1A-3paoA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 11 LEU A 143
HIS A  21
ASP A 281
GLY A  24
TYR A  66
 None
ADE  A 345 ( 3.2A)
ADE  A 345 (-2.8A)
None
ADE  A 345 (-4.0A)
 1.25A 1zz1A-3rysA:
undetectable		 1zz1A-3rysA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AC7_A_ADNA1216_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3lgs 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASES
(Arabidopsis
thaliana) 		5 / 11 THR A 116
GLY A 118
MET A 201
GLU A 202
ASP A 225
 SAH  A 268 (-3.8A)
ADE  A 269 ( 3.6A)
SAH  A 268 ( 3.3A)
SAH  A 268 (-3.1A)
ADE  A 269 ( 3.0A)
 0.53A 2ac7A-3lgsA:
19.9
2ac7B-3lgsA:
19.9		 2ac7A-3lgsA:
24.21
2ac7B-3lgsA:
24.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AC7_A_ADNA1216_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 11 ARG A  87
GLY A 176
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 1.49A 2ac7A-4daoA:
37.8
2ac7B-4daoA:
37.9		 2ac7A-4daoA:
71.37
2ac7B-4daoA:
71.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AC7_A_ADNA1216_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 11 MET A  64
ARG A  87
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 None
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-4.1A)
 0.63A 2ac7A-4daoA:
37.8
2ac7B-4daoA:
37.9		 2ac7A-4daoA:
71.37
2ac7B-4daoA:
71.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AC7_A_ADNA1216_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		5 / 11 GLY A  79
GLU A 171
MET A 172
GLU A 173
ASP A 196
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-2.8A)
 0.49A 2ac7A-4josA:
23.0
2ac7B-4josA:
23.0		 2ac7A-4josA:
24.72
2ac7B-4josA:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AC7_A_ADNA1216_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 11 GLY A  78
GLU A 171
MET A 172
GLU A 173
ASP A 196
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-2.8A)
 0.46A 2ac7A-4jwtA:
22.6
2ac7B-4jwtA:
22.6		 2ac7A-4jwtA:
22.93
2ac7B-4jwtA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AC7_A_ADNA1216_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		5 / 11 GLY A  81
VAL A 178
MET A 180
GLU A 181
ASP A 204
 ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.0A)
 0.50A 2ac7A-4l0mA:
22.4
2ac7B-4l0mA:
22.4		 2ac7A-4l0mA:
24.81
2ac7B-4l0mA:
24.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AC7_A_ADNA1216_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		5 / 11 GLY A  67
VAL A 142
MET A 144
GLU A 145
ASP A 168
 ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-2.8A)
 0.55A 2ac7A-4pr3A:
14.9
2ac7B-4pr3A:
14.9		 2ac7A-4pr3A:
19.44
2ac7B-4pr3A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AC7_A_ADNA1216_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		6 / 11 GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
ASP B 198
 ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-2.4A)
 0.62A 2ac7A-4qezB:
22.8
2ac7B-4qezB:
22.7		 2ac7A-4qezB:
24.90
2ac7B-4qezB:
24.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AC7_A_ADNA1216_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		6 / 11 GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-2.9A)
 0.47A 2ac7A-5dk6A:
23.0
2ac7B-5dk6A:
23.0		 2ac7A-5dk6A:
24.45
2ac7B-5dk6A:
24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AC7_B_ADNB1215_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3lgs 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASES
(Arabidopsis
thaliana) 		5 / 11 THR A 116
GLY A 118
MET A 201
GLU A 202
ASP A 225
 SAH  A 268 (-3.8A)
ADE  A 269 ( 3.6A)
SAH  A 268 ( 3.3A)
SAH  A 268 (-3.1A)
ADE  A 269 ( 3.0A)
 0.52A 2ac7A-3lgsA:
19.9
2ac7B-3lgsA:
19.9		 2ac7A-3lgsA:
24.21
2ac7B-3lgsA:
24.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AC7_B_ADNB1215_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 11 ARG A  87
GLY A 176
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 1.49A 2ac7A-4daoA:
37.8
2ac7B-4daoA:
37.9		 2ac7A-4daoA:
71.37
2ac7B-4daoA:
71.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AC7_B_ADNB1215_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 11 MET A  64
ARG A  87
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 None
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-4.1A)
 0.63A 2ac7A-4daoA:
37.8
2ac7B-4daoA:
37.9		 2ac7A-4daoA:
71.37
2ac7B-4daoA:
71.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AC7_B_ADNB1215_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		5 / 11 GLY A  79
GLU A 171
MET A 172
GLU A 173
ASP A 196
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-2.8A)
 0.49A 2ac7A-4josA:
23.0
2ac7B-4josA:
23.0		 2ac7A-4josA:
24.72
2ac7B-4josA:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AC7_B_ADNB1215_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 11 GLY A  78
GLU A 171
MET A 172
GLU A 173
ASP A 196
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-2.8A)
 0.46A 2ac7A-4jwtA:
22.6
2ac7B-4jwtA:
22.6		 2ac7A-4jwtA:
22.93
2ac7B-4jwtA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AC7_B_ADNB1215_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		5 / 11 GLY A  81
VAL A 178
MET A 180
GLU A 181
ASP A 204
 ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.0A)
 0.50A 2ac7A-4l0mA:
22.4
2ac7B-4l0mA:
22.4		 2ac7A-4l0mA:
24.81
2ac7B-4l0mA:
24.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AC7_B_ADNB1215_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		5 / 11 GLY A  67
VAL A 142
MET A 144
GLU A 145
ASP A 168
 ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-2.8A)
 0.55A 2ac7A-4pr3A:
14.9
2ac7B-4pr3A:
14.9		 2ac7A-4pr3A:
19.44
2ac7B-4pr3A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AC7_B_ADNB1215_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		6 / 11 GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
ASP B 198
 ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-2.4A)
 0.62A 2ac7A-4qezB:
22.8
2ac7B-4qezB:
22.7		 2ac7A-4qezB:
24.90
2ac7B-4qezB:
24.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AC7_B_ADNB1215_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		6 / 11 GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-2.9A)
 0.47A 2ac7A-5dk6A:
23.0
2ac7B-5dk6A:
23.0		 2ac7A-5dk6A:
24.45
2ac7B-5dk6A:
24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTT_D_H4BD1006_1
(HYPOTHETICAL PROTEIN
PH0634)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 10 HIS A 196
HIS A  16
HIS A 220
GLU A 199
TYR A  63
 ZN  A 327 ( 3.5A)
ZN  A 327 (-3.4A)
ADE  A 328 ( 4.2A)
ADE  A 328 (-3.0A)
ADE  A 328 (-4.0A)
 1.29A 2dttD-3paoA:
undetectable
2dttF-3paoA:
undetectable		 2dttD-3paoA:
15.79
2dttF-3paoA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FJ1_A_CTCA222_0
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 2ics ADENINE DEAMINASE
(Enterococcus
faecalis) 		5 / 12 HIS A 211
THR A 160
VAL A 161
GLN A 125
ILE A 122
 ZN  A 401 (-3.4A)
ADE  A1114 ( 4.3A)
None
ADE  A1114 (-3.3A)
None
 1.15A 2fj1A-2icsA:
undetectable		 2fj1A-2icsA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GQG_A_1N1A501_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		8 / 12 ALA A 215
LYS A 217
GLU A 230
THR A 265
PHE A 267
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.58A 2gqgA-2qluA:
26.9		 2gqgA-2qluA:
24.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GQG_B_1N1B502_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
GLU A 230
THR A 265
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.55A 2gqgB-2qluA:
27.3		 2gqgB-2qluA:
24.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA2_A_SCKA901_1
(ACETYLCHOLINESTERASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		4 / 8 TYR A  63
ASP A 100
TYR A  64
HIS A 174
 ADE  A 328 (-4.0A)
None
None
None
 1.47A 2ha2A-3paoA:
undetectable		 2ha2A-3paoA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HYY_A_STIA600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 ALA A 215
ILE A 233
THR A 265
PHE A 267
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 1.20A 2hyyA-2qluA:
24.9		 2hyyA-2qluA:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HYY_A_STIA600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
THR A 265
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.79A 2hyyA-2qluA:
24.9		 2hyyA-2qluA:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HYY_B_STIB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 ALA A 215
ILE A 233
THR A 265
PHE A 267
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 1.12A 2hyyB-2qluA:
24.8		 2hyyB-2qluA:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HYY_B_STIB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
THR A 265
PHE A 267
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.74A 2hyyB-2qluA:
24.8		 2hyyB-2qluA:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HYY_C_STIC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 ALA A 215
ILE A 233
THR A 265
PHE A 267
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 1.19A 2hyyC-2qluA:
24.9		 2hyyC-2qluA:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HYY_C_STIC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
THR A 265
PHE A 267
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.63A 2hyyC-2qluA:
24.9		 2hyyC-2qluA:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HYY_D_STID600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
ILE A 233
THR A 265
PHE A 267
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.4A)
None
 1.17A 2hyyD-2qluA:
24.7		 2hyyD-2qluA:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ITO_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 ALA A 215
LYS A 217
GLU A 230
LEU A 263
GLY A 271
ASP A 275
LEU A 328
 ADE  A 488 (-3.2A)
None
None
None
ADE  A 488 ( 4.1A)
None
ADE  A 488 (-4.4A)
 0.73A 2itoA-2qluA:
25.8		 2itoA-2qluA:
25.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ITO_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
LYS A 217
THR A 265
GLY A 271
ASP A 275
LEU A 328
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
None
ADE  A 488 (-4.4A)
 0.52A 2itoA-2qluA:
25.8		 2itoA-2qluA:
25.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ITY_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		8 / 12 VAL A 204
ALA A 215
LYS A 217
LEU A 263
THR A 265
GLY A 271
LEU A 328
ASP A 339
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.67A 2ityA-2qluA:
25.9		 2ityA-2qluA:
25.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ITZ_A_IREA2021_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		8 / 12 VAL A 204
ALA A 215
LYS A 217
GLU A 230
GLY A 271
ASP A 275
LEU A 328
ASP A 339
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
None
ADE  A 488 ( 4.1A)
None
ADE  A 488 (-4.4A)
None
 0.74A 2itzA-2qluA:
25.8		 2itzA-2qluA:
25.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ITZ_A_IREA2021_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		8 / 12 VAL A 204
ALA A 215
LYS A 217
THR A 265
GLY A 271
ASP A 275
LEU A 328
ASP A 339
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
None
ADE  A 488 (-4.4A)
None
 0.64A 2itzA-2qluA:
25.8		 2itzA-2qluA:
25.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IZQ_A_DVAA8_0
(GRAMICIDIN D)		 3waz PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pyrococcus
abyssi) 		3 / 3 VAL A 164
TRP A  64
VAL A 166
 ADE  A 301 (-3.8A)
None
None
 0.79A 2izqA-3wazA:
undetectable
2izqB-3wazA:
undetectable		 2izqA-3wazA:
5.35
2izqB-3wazA:
5.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		 1aha ALPHA-MOMORCHARIN
(Momordica
charantia) 		4 / 8 ILE A 155
ILE A 167
ILE A 125
ASN A 110
 ADE  A 339 (-4.1A)
None
None
None
 0.66A 2nniA-1ahaA:
0.0		 2nniA-1ahaA:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_A_SAMA302_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		3 / 3 THR A  22
ASP A 168
SER A 170
 None
ADE  A 328 ( 4.2A)
None
 0.62A 2nxeA-3paoA:
undetectable		 2nxeA-3paoA:
24.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_B_SAMB303_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		3 / 3 THR A  22
ASP A 168
SER A 170
 None
ADE  A 328 ( 4.2A)
None
 0.68A 2nxeB-3paoA:
undetectable		 2nxeB-3paoA:
24.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 2ics ADENINE DEAMINASE
(Enterococcus
faecalis) 		5 / 12 HIS A 211
THR A 160
VAL A 161
GLN A 125
ILE A 122
 ZN  A 401 (-3.4A)
ADE  A1114 ( 4.3A)
None
ADE  A1114 (-3.3A)
None
 1.17A 2o7oA-2icsA:
0.0		 2o7oA-2icsA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_E_MTXE621_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 1aha ALPHA-MOMORCHARIN
(Momordica
charantia) 		5 / 12 ALA A  91
PHE A  83
SER A 108
ILE A 155
LEU A 114
 None
ADE  A 339 ( 4.8A)
None
ADE  A 339 (-4.1A)
None
 1.02A 2oipE-1ahaA:
undetectable		 2oipE-1ahaA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OW9_A_HAEA502_1
(COLLAGENASE 3)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		4 / 6 LEU A 251
HIS A  16
HIS A  18
HIS A 196
 None
ZN  A 327 (-3.4A)
ADE  A 328 ( 3.0A)
ZN  A 327 ( 3.5A)
 0.85A 2ow9A-3paoA:
undetectable		 2ow9A-3paoA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OW9_A_HAEA502_1
(COLLAGENASE 3)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		4 / 6 LEU A 254
HIS A  19
HIS A  21
HIS A 199
 None
ZN  A 344 (-3.5A)
ADE  A 345 ( 3.2A)
ZN  A 344 ( 3.4A)
 0.86A 2ow9A-3rysA:
undetectable		 2ow9A-3rysA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2P02_A_SAMA2_0
(S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-2)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		4 / 8 HIS A  21
ASP A 281
SER A  61
PHE A  62
 ADE  A 345 ( 3.2A)
ADE  A 345 (-2.8A)
None
None
 1.20A 2p02A-3rysA:
undetectable		 2p02A-3rysA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PGF_A_ADNA501_1
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		6 / 12 HIS A  18
ASP A 100
PHE A  59
HIS A 220
SER A 247
ASP A 277
 ADE  A 328 ( 3.0A)
None
None
ADE  A 328 ( 4.2A)
ADE  A 328 ( 4.5A)
ZN  A 327 ( 2.6A)
 1.24A 2pgfA-3paoA:
39.6		 2pgfA-3paoA:
27.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PGF_A_ADNA501_1
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		8 / 12 HIS A  18
PHE A  59
HIS A 196
GLU A 199
HIS A 220
SER A 247
ASP A 277
ASP A 278
 ADE  A 328 ( 3.0A)
None
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
ADE  A 328 ( 4.2A)
ADE  A 328 ( 4.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 0.42A 2pgfA-3paoA:
39.6		 2pgfA-3paoA:
27.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PGF_A_ADNA501_1
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		6 / 12 HIS A  21
ASP A 103
PHE A  62
HIS A 223
SER A 250
ASP A 280
 ADE  A 345 ( 3.2A)
None
None
ADE  A 345 ( 4.2A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
 1.21A 2pgfA-3rysA:
39.4		 2pgfA-3rysA:
27.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PGF_A_ADNA501_1
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		8 / 12 HIS A  21
PHE A  62
HIS A 199
GLU A 202
HIS A 223
SER A 250
ASP A 280
ASP A 281
 ADE  A 345 ( 3.2A)
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 0.38A 2pgfA-3rysA:
39.4		 2pgfA-3rysA:
27.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PGR_A_DCFA501_1
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		6 / 12 HIS A  16
HIS A  18
ASP A 100
PHE A  59
HIS A 220
ASP A 277
 ZN  A 327 (-3.4A)
ADE  A 328 ( 3.0A)
None
None
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
 1.19A 2pgrA-3paoA:
39.5		 2pgrA-3paoA:
27.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PGR_A_DCFA501_1
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		8 / 12 HIS A  16
HIS A  18
PHE A  59
HIS A 196
GLU A 199
HIS A 220
ASP A 277
ASP A 278
 ZN  A 327 (-3.4A)
ADE  A 328 ( 3.0A)
None
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 0.54A 2pgrA-3paoA:
39.5		 2pgrA-3paoA:
27.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PGR_A_DCFA501_1
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 196
HIS A 220
PHE A 282
HIS A  16
HIS A  18
 ZN  A 327 ( 3.5A)
ADE  A 328 ( 4.2A)
None
ZN  A 327 (-3.4A)
ADE  A 328 ( 3.0A)
 1.12A 2pgrA-3paoA:
39.5		 2pgrA-3paoA:
27.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PGR_A_DCFA501_1
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		6 / 12 HIS A  19
HIS A  21
ASP A 103
PHE A  62
HIS A 223
ASP A 280
 ZN  A 344 (-3.5A)
ADE  A 345 ( 3.2A)
None
None
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
 1.18A 2pgrA-3rysA:
39.4		 2pgrA-3rysA:
27.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PGR_A_DCFA501_1
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		8 / 12 HIS A  19
HIS A  21
PHE A  62
HIS A 199
GLU A 202
HIS A 223
ASP A 280
ASP A 281
 ZN  A 344 (-3.5A)
ADE  A 345 ( 3.2A)
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 0.50A 2pgrA-3rysA:
39.4		 2pgrA-3rysA:
27.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PGR_A_DCFA501_1
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A 199
HIS A 223
PHE A 285
HIS A  19
HIS A  21
 ZN  A 344 ( 3.4A)
ADE  A 345 ( 4.2A)
None
ZN  A 344 (-3.5A)
ADE  A 345 ( 3.2A)
 1.13A 2pgrA-3rysA:
39.4		 2pgrA-3rysA:
27.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PLW_A_SAMA203_1
(RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE)		 3s99 BASIC MEMBRANE
LIPOPROTEIN
(Brucella
abortus) 		3 / 3 SER A  88
ASP A 247
ASP A 211
 ADE  A 400 (-2.7A)
None
ADE  A 400 (-2.8A)
 0.80A 2plwA-3s99A:
3.5		 2plwA-3s99A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		 4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE
(Planctopirus
limnophila) 		3 / 3 MET A 212
VAL A 220
GLU A 139
 ADE  A 401 (-4.2A)
None
None
 0.91A 2x9gA-4m1eA:
undetectable		 2x9gA-4m1eA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_E_GCSE710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		4 / 8 HIS A 196
ILE A 136
HIS A  18
ASP A 168
 ZN  A 327 ( 3.5A)
None
ADE  A 328 ( 3.0A)
ADE  A 328 ( 4.2A)
 1.02A 2xadA-3paoA:
undetectable		 2xadA-3paoA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_E_GCSE710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		4 / 8 HIS A 199
ILE A 139
HIS A  21
ASP A 171
 ZN  A 344 ( 3.4A)
None
ADE  A 345 ( 3.2A)
ADE  A 345 (-4.0A)
 1.01A 2xadA-3rysA:
2.2		 2xadA-3rysA:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_F_GCSF710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		4 / 8 HIS A 196
ILE A 136
HIS A  18
ASP A 168
 ZN  A 327 ( 3.5A)
None
ADE  A 328 ( 3.0A)
ADE  A 328 ( 4.2A)
 1.04A 2xadB-3paoA:
undetectable		 2xadB-3paoA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_F_GCSF710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		4 / 8 HIS A 199
ILE A 139
HIS A  21
ASP A 171
 ZN  A 344 ( 3.4A)
None
ADE  A 345 ( 3.2A)
ADE  A 345 (-4.0A)
 1.04A 2xadB-3rysA:
2.3		 2xadB-3rysA:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_G_GCSG710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		4 / 8 HIS A 196
ILE A 136
HIS A  18
ASP A 168
 ZN  A 327 ( 3.5A)
None
ADE  A 328 ( 3.0A)
ADE  A 328 ( 4.2A)
 1.03A 2xadC-3paoA:
undetectable		 2xadC-3paoA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_G_GCSG710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		4 / 8 HIS A 199
ILE A 139
HIS A  21
ASP A 171
 ZN  A 344 ( 3.4A)
None
ADE  A 345 ( 3.2A)
ADE  A 345 (-4.0A)
 1.02A 2xadC-3rysA:
2.0		 2xadC-3rysA:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_H_GCSH710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		4 / 8 HIS A 196
ILE A 136
HIS A  18
ASP A 168
 ZN  A 327 ( 3.5A)
None
ADE  A 328 ( 3.0A)
ADE  A 328 ( 4.2A)
 1.03A 2xadD-3paoA:
undetectable		 2xadD-3paoA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_H_GCSH710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		4 / 8 HIS A 199
ILE A 139
HIS A  21
ASP A 171
 ZN  A 344 ( 3.4A)
None
ADE  A 345 ( 3.2A)
ADE  A 345 (-4.0A)
 1.02A 2xadD-3rysA:
undetectable		 2xadD-3rysA:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XPV_A_MIYA1209_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 2ics ADENINE DEAMINASE
(Enterococcus
faecalis) 		5 / 12 HIS A 211
THR A 160
VAL A 161
GLN A 125
ILE A 122
 ZN  A 401 (-3.4A)
ADE  A1114 ( 4.3A)
None
ADE  A1114 (-3.3A)
None
 1.15A 2xpvA-2icsA:
0.3		 2xpvA-2icsA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 2ics ADENINE DEAMINASE
(Enterococcus
faecalis) 		5 / 12 HIS A 211
THR A 160
VAL A 161
GLN A 125
ILE A 122
 ZN  A 401 (-3.4A)
ADE  A1114 ( 4.3A)
None
ADE  A1114 (-3.3A)
None
 1.11A 2xrlA-2icsA:
undetectable		 2xrlA-2icsA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7W_C_SALC1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 7 THR A 324
ILE A 348
GLY A 349
HIS A 404
 None
NAD  A 501 (-4.4A)
NAD  A 501 (-3.5A)
ADE  A 506 (-3.4A)
 0.85A 2y7wC-3oneA:
undetectable		 2y7wC-3oneA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YGN_A_ACTA1181_0
(WNT INHIBITORY
FACTOR 1)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		3 / 3 TYR A 103
VAL A 159
THR A 154
 None
ADE  A 301 (-4.0A)
None
 0.44A 2ygnA-4l0mA:
undetectable		 2ygnA-4l0mA:
19.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_A_2FAA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.67A 2zj0A-3oneA:
58.2		 2zj0A-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 GLN A  66
THR A  67
THR A 206
HIS A 350
LEU A 395
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
NAD  A 501 (-4.2A)
 0.46A 2zj0A-3oneA:
58.2		 2zj0A-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_B_2FAB500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
HIS A 404
 None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
 1.35A 2zj0B-3oneA:
58.1		 2zj0B-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_B_2FAB500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.47A 2zj0B-3oneA:
58.1		 2zj0B-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_B_2FAB500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.61A 2zj0B-3oneA:
58.1		 2zj0B-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_B_2FAB500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
HIS A 404
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 (-3.4A)
 1.26A 2zj0B-3oneA:
58.1		 2zj0B-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_B_2FAB500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 THR A  67
ASP A 139
ASP A 239
LEU A 398
HIS A 404
 ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
 1.39A 2zj0B-3oneA:
58.1		 2zj0B-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 LEU A  61
GLN A  66
THR A  67
THR A 206
HIS A 350
 None
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
 0.68A 2zj0B-3oneA:
58.1		 2zj0B-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_C_2FAC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
HIS A 404
 None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
 1.37A 2zj0C-3oneA:
58.2		 2zj0C-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_C_2FAC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.38A 2zj0C-3oneA:
58.2		 2zj0C-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_C_2FAC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.58A 2zj0C-3oneA:
58.2		 2zj0C-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 LEU A  61
GLN A  66
THR A  67
THR A 206
HIS A 350
 None
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
 0.76A 2zj0C-3oneA:
58.2		 2zj0C-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_D_2FAD500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.33A 2zj0D-3oneA:
58.2		 2zj0D-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_D_2FAD500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		11 / 12 HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
HIS A 350
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
None
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.53A 2zj0D-3oneA:
58.2		 2zj0D-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_D_2FAD500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		11 / 12 HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
HIS A 350
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
None
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.26A 2zj0D-3oneA:
58.2		 2zj0D-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_D_2FAD500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
HIS A 350
HIS A 404
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
None
ADE  A 506 (-3.4A)
 1.24A 2zj0D-3oneA:
58.2		 2zj0D-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 4 LEU A  61
GLN A  66
THR A  67
THR A 206
 None
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
 0.73A 2zj0D-3oneA:
58.2		 2zj0D-3oneA:
59.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZVA_A_1N1A513_1
(TYROSINE-PROTEIN
KINASE LYN)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 ALA A 215
LYS A 217
GLU A 230
THR A 265
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.52A 2zvaA-2qluA:
27.0		 2zvaA-2qluA:
24.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 PHE A  59
PHE A 282
LEU A 251
SER A 138
TYR A  63
 None
None
None
None
ADE  A 328 (-4.0A)
 1.33A 3apvA-3paoA:
undetectable		 3apvA-3paoA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 PHE A  59
PHE A 282
LEU A 251
GLN A  57
TYR A  63
 None
None
None
None
ADE  A 328 (-4.0A)
 1.23A 3apwB-3paoA:
undetectable		 3apwB-3paoA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 PHE A  62
PHE A 285
LEU A 254
GLN A  60
TYR A  66
 None
None
None
None
ADE  A 345 (-4.0A)
 1.24A 3apwB-3rysA:
undetectable		 3apwB-3rysA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BBT_B_FMMB91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
THR A 265
GLY A 271
LEU A 328
ASP A 339
PHE A 340
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
None
 0.90A 3bbtB-2qluA:
24.5		 3bbtB-2qluA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BBT_D_FMMD91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
LEU A 263
GLY A 271
LEU A 328
ASP A 339
PHE A 340
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
None
 0.93A 3bbtD-2qluA:
24.6		 3bbtD-2qluA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BBT_D_FMMD91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
LYS A 217
LEU A 263
GLY A 271
LEU A 328
ASP A 339
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
None
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.82A 3bbtD-2qluA:
24.6		 3bbtD-2qluA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BBT_D_FMMD91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
LYS A 217
THR A 265
GLY A 271
LEU A 328
ASP A 339
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.75A 3bbtD-2qluA:
24.6		 3bbtD-2qluA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BBT_D_FMMD91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
THR A 265
GLY A 271
LEU A 328
ASP A 339
PHE A 340
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
None
 0.87A 3bbtD-2qluA:
24.6		 3bbtD-2qluA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_E_SVRE510_3
(PHOSPHOLIPASE A2)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		4 / 5 VAL A 336
VAL A 327
THR A 265
THR A 334
 None
None
ADE  A 488 (-4.3A)
None
 1.27A 3bjwG-2qluA:
undetectable		 3bjwG-2qluA:
14.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_H_SVRH511_2
(PHOSPHOLIPASE A2)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		4 / 5 VAL A 336
VAL A 327
THR A 265
THR A 334
 None
None
ADE  A 488 (-4.3A)
None
 1.24A 3bjwD-2qluA:
undetectable		 3bjwD-2qluA:
14.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BRF_A_SORA1_0
(LIN-12 AND GLP-1
PHENOTYPE PROTEIN 1,
ISOFORM A)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		3 / 3 GLY B  78
ASP B 198
SER B 204
 ADE  B 301 (-3.2A)
ADE  B 301 (-2.4A)
ADE  B 301 ( 3.8A)
 0.72A 3brfA-4qezB:
undetectable		 3brfA-4qezB:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		4 / 5 HIS A  16
HIS A 196
ASP A 277
ASP A 278
 ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 1.08A 3c0zA-3paoA:
undetectable		 3c0zA-3paoA:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		4 / 5 HIS A  19
HIS A 199
ASP A 280
ASP A 281
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 1.07A 3c0zA-3rysA:
undetectable		 3c0zA-3rysA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		4 / 6 HIS A  16
HIS A 196
ASP A 277
ASP A 278
 ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 1.12A 3c0zC-3paoA:
undetectable		 3c0zC-3paoA:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		4 / 6 HIS A  19
HIS A 199
ASP A 280
ASP A 281
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 1.11A 3c0zC-3rysA:
undetectable		 3c0zC-3rysA:
21.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
HIS A 404
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 (-3.4A)
 1.24A 3ce6A-3oneA:
58.6		 3ce6A-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.69A 3ce6A-3oneA:
58.6		 3ce6A-3oneA:
59.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CE6_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		4 / 5 GLN A 246
THR A 265
HIS A 319
LEU A 301
 None
ADE  A 488 (-4.3A)
None
None
 1.33A 3ce6A-2qluA:
undetectable		 3ce6A-2qluA:
21.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 GLN A  66
THR A  67
THR A 206
HIS A 350
LEU A 395
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
NAD  A 501 (-4.2A)
 0.42A 3ce6A-3oneA:
58.6		 3ce6A-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_B_ADNB500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
HIS A 404
 None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
 1.36A 3ce6B-3oneA:
58.6		 3ce6B-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_B_ADNB500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.58A 3ce6B-3oneA:
58.6		 3ce6B-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_B_ADNB500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
HIS A 404
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 (-3.4A)
 1.24A 3ce6B-3oneA:
58.6		 3ce6B-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_B_ADNB500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 THR A  67
ASP A 139
ASP A 239
LEU A 398
HIS A 404
 ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
 1.38A 3ce6B-3oneA:
58.6		 3ce6B-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_B_ADNB500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 LEU A  61
GLN A  66
THR A  67
THR A 206
HIS A 350
 None
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
 0.67A 3ce6B-3oneA:
58.6		 3ce6B-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
HIS A 404
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 (-3.4A)
 1.24A 3ce6C-3oneA:
58.7		 3ce6C-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.68A 3ce6C-3oneA:
58.7		 3ce6C-3oneA:
59.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CE6_C_ADNC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		4 / 5 GLN A 246
THR A 265
HIS A 319
LEU A 301
 None
ADE  A 488 (-4.3A)
None
None
 1.37A 3ce6C-2qluA:
undetectable		 3ce6C-2qluA:
21.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_C_ADNC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 GLN A  66
THR A  67
THR A 206
HIS A 350
LEU A 395
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
NAD  A 501 (-4.2A)
 0.45A 3ce6C-3oneA:
58.7		 3ce6C-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 HIS A  62
THR A  64
ASP A 139
GLU A 205
THR A 206
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.52A 3ce6D-3oneA:
58.6		 3ce6D-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
THR A 206
ASP A 239
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
 1.28A 3ce6D-3oneA:
58.6		 3ce6D-3oneA:
59.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_D_ADND500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 LEU A  61
GLN A  66
THR A  67
HIS A 350
LEU A 395
 None
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-4.2A)
 0.78A 3ce6D-3oneA:
58.6		 3ce6D-3oneA:
59.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_A_NILA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
ILE A 233
THR A 265
HIS A 319
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
None
ADE  A 488 (-4.4A)
None
 1.08A 3cs9A-2qluA:
24.7		 3cs9A-2qluA:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_A_NILA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 ALA A 215
LEU A 244
THR A 265
GLY A 271
HIS A 319
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
None
ADE  A 488 (-4.4A)
None
 0.56A 3cs9A-2qluA:
24.7		 3cs9A-2qluA:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_B_NILB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		5 / 12 ALA A 215
GLU A 230
LEU A 244
THR A 265
GLY A 271
 ADE  A 488 (-3.2A)
None
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
 0.62A 3cs9B-2qluA:
25.0		 3cs9B-2qluA:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_B_NILB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
LEU A 244
THR A 265
GLY A 271
HIS A 319
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
None
None
 0.62A 3cs9B-2qluA:
25.0		 3cs9B-2qluA:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_C_NILC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		5 / 12 ALA A 215
GLU A 230
LEU A 244
THR A 265
PHE A 267
 ADE  A 488 (-3.2A)
None
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
 0.68A 3cs9C-2qluA:
24.3		 3cs9C-2qluA:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_C_NILC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
ILE A 233
THR A 265
PHE A 267
HIS A 319
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
None
None
 1.09A 3cs9C-2qluA:
24.3		 3cs9C-2qluA:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_C_NILC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
LEU A 244
THR A 265
PHE A 267
HIS A 319
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
None
None
 0.57A 3cs9C-2qluA:
24.3		 3cs9C-2qluA:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_D_NILD600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
GLU A 230
LEU A 244
THR A 265
PHE A 267
GLY A 271
 ADE  A 488 (-3.2A)
None
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
 0.59A 3cs9D-2qluA:
23.9		 3cs9D-2qluA:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_D_NILD600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 ALA A 215
ILE A 233
THR A 265
PHE A 267
GLY A 271
HIS A 319
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
None
None
 1.27A 3cs9D-2qluA:
23.9		 3cs9D-2qluA:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_D_NILD600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 ALA A 215
LEU A 244
THR A 265
PHE A 267
GLY A 271
HIS A 319
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
None
None
 0.53A 3cs9D-2qluA:
23.9		 3cs9D-2qluA:
24.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3E9R_A_ACTA700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		4 / 6 GLY A 113
GLU A 192
GLY A 209
MET A 210
 ADE  A 502 (-3.6A)
ADE  A 502 (-2.9A)
ADE  A 502 (-3.5A)
MPD  A 503 ( 3.2A)
 0.48A 3e9rA-4lnaA:
38.6		 3e9rA-4lnaA:
43.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3E9R_A_ACTA700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE
(Planctopirus
limnophila) 		4 / 6 GLY A 116
GLU A 194
GLY A 211
MET A 212
 ADE  A 401 (-3.7A)
ADE  A 401 (-2.7A)
ADE  A 401 (-3.4A)
ADE  A 401 (-4.2A)
 0.48A 3e9rA-4m1eA:
38.4		 3e9rA-4m1eA:
43.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3E9R_C_ACTC700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		4 / 6 GLY A 113
GLU A 192
GLY A 209
MET A 210
 ADE  A 502 (-3.6A)
ADE  A 502 (-2.9A)
ADE  A 502 (-3.5A)
MPD  A 503 ( 3.2A)
 0.48A 3e9rC-4lnaA:
38.5		 3e9rC-4lnaA:
43.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3E9R_C_ACTC700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE
(Planctopirus
limnophila) 		4 / 6 GLY A 116
GLU A 194
GLY A 211
MET A 212
 ADE  A 401 (-3.7A)
ADE  A 401 (-2.7A)
ADE  A 401 (-3.4A)
ADE  A 401 (-4.2A)
 0.48A 3e9rC-4m1eA:
38.3		 3e9rC-4m1eA:
43.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EYG_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		9 / 12 GLY A 199
GLY A 202
VAL A 204
ALA A 215
LYS A 217
SER A 272
ASN A 326
LEU A 328
ASP A 339
 None
None
ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
None
None
ADE  A 488 (-4.4A)
None
 0.69A 3eygA-2qluA:
28.3		 3eygA-2qluA:
26.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 1wta 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(Aeropyrum
pernix) 		5 / 12 ALA A  96
GLY A  98
GLY A 194
MET A 195
VAL A 233
 PO4  A 400 (-3.7A)
ADE  A1300 (-3.5A)
ADE  A1300 (-3.5A)
ADE  A1300 (-4.4A)
ADE  A1300 ( 4.7A)
 0.41A 3f8wA-1wtaA:
26.1		 3f8wA-1wtaA:
26.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		7 / 12 TYR A  83
ALA A 111
GLY A 113
GLU A 192
VAL A 208
GLY A 209
MET A 210
 None
MPD  A 503 ( 4.0A)
ADE  A 502 (-3.6A)
ADE  A 502 (-2.9A)
ADE  A 502 (-4.5A)
ADE  A 502 (-3.5A)
MPD  A 503 ( 3.2A)
 0.32A 3f8wA-4lnaA:
39.3		 3f8wA-4lnaA:
43.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE
(Planctopirus
limnophila) 		7 / 12 TYR A  86
ALA A 114
GLY A 116
GLU A 194
VAL A 210
GLY A 211
MET A 212
 None
SO4  A 400 ( 3.9A)
ADE  A 401 (-3.7A)
ADE  A 401 (-2.7A)
ADE  A 401 (-4.4A)
ADE  A 401 (-3.4A)
ADE  A 401 (-4.2A)
 0.34A 3f8wA-4m1eA:
39.8		 3f8wA-4m1eA:
43.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 5f7o METHYLTHIOADENOSINE
PHOSPHORYLASE
(Schistosoma
mansoni) 		5 / 12 ALA A  88
GLY A  90
VAL A 204
MET A 206
VAL A 246
 ADE  A 301 (-4.1A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
ADE  A 301 (-4.3A)
ADE  A 301 ( 4.7A)
 0.55A 3f8wA-5f7oA:
23.8		 3f8wA-5f7oA:
26.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		7 / 12 HIS A  81
TYR A  83
GLY A 113
GLU A 192
VAL A 208
GLY A 209
MET A 210
 PO4  A 500 (-4.2A)
None
ADE  A 502 (-3.6A)
ADE  A 502 (-2.9A)
ADE  A 502 (-4.5A)
ADE  A 502 (-3.5A)
MPD  A 503 ( 3.2A)
 0.34A 3f8wB-4lnaA:
39.4		 3f8wB-4lnaA:
43.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE
(Planctopirus
limnophila) 		7 / 12 HIS A  84
TYR A  86
GLY A 116
GLU A 194
VAL A 210
GLY A 211
MET A 212
 SO4  A 400 (-3.9A)
None
ADE  A 401 (-3.7A)
ADE  A 401 (-2.7A)
ADE  A 401 (-4.4A)
ADE  A 401 (-3.4A)
ADE  A 401 (-4.2A)
 0.36A 3f8wB-4m1eA:
41.5		 3f8wB-4m1eA:
43.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 1wta 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(Aeropyrum
pernix) 		5 / 12 ALA A  96
GLY A  98
GLY A 194
MET A 195
VAL A 233
 PO4  A 400 (-3.7A)
ADE  A1300 (-3.5A)
ADE  A1300 (-3.5A)
ADE  A1300 (-4.4A)
ADE  A1300 ( 4.7A)
 0.36A 3f8wC-1wtaA:
26.3		 3f8wC-1wtaA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 1wta 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(Aeropyrum
pernix) 		5 / 12 HIS A  63
ALA A  96
GLY A  98
GLY A 194
VAL A 233
 PO4  A 400 (-3.8A)
PO4  A 400 (-3.7A)
ADE  A1300 (-3.5A)
ADE  A1300 (-3.5A)
ADE  A1300 ( 4.7A)
 1.08A 3f8wC-1wtaA:
26.3		 3f8wC-1wtaA:
26.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		8 / 12 HIS A  81
TYR A  83
ALA A 111
GLY A 113
GLU A 192
VAL A 208
GLY A 209
MET A 210
 PO4  A 500 (-4.2A)
None
MPD  A 503 ( 4.0A)
ADE  A 502 (-3.6A)
ADE  A 502 (-2.9A)
ADE  A 502 (-4.5A)
ADE  A 502 (-3.5A)
MPD  A 503 ( 3.2A)
 0.32A 3f8wC-4lnaA:
39.2		 3f8wC-4lnaA:
43.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE
(Planctopirus
limnophila) 		8 / 12 HIS A  84
TYR A  86
ALA A 114
GLY A 116
GLU A 194
VAL A 210
GLY A 211
MET A 212
 SO4  A 400 (-3.9A)
None
SO4  A 400 ( 3.9A)
ADE  A 401 (-3.7A)
ADE  A 401 (-2.7A)
ADE  A 401 (-4.4A)
ADE  A 401 (-3.4A)
ADE  A 401 (-4.2A)
 0.35A 3f8wC-4m1eA:
39.5		 3f8wC-4m1eA:
43.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 5f7o METHYLTHIOADENOSINE
PHOSPHORYLASE
(Schistosoma
mansoni) 		5 / 12 ALA A  88
GLY A  90
VAL A 204
MET A 206
VAL A 246
 ADE  A 301 (-4.1A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
ADE  A 301 (-4.3A)
ADE  A 301 ( 4.7A)
 0.52A 3f8wC-5f7oA:
24.0		 3f8wC-5f7oA:
26.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_A_ADNA438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		9 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
ASN A 240
LEU A 395
LEU A 398
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 (-3.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-4.9A)
 0.91A 3g1uA-3oneA:
53.3		 3g1uA-3oneA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_A_ADNA438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		11 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LEU A 395
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.74A 3g1uA-3oneA:
53.3		 3g1uA-3oneA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_A_ADNA438_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 4 GLN A  66
THR A  67
THR A 206
HIS A 350
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
 0.12A 3g1uA-3oneA:
53.3		 3g1uA-3oneA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
THR A 206
HIS A 404
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
ADE  A 506 (-3.4A)
 1.36A 3g1uB-3oneA:
53.3		 3g1uB-3oneA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 LEU A  61
ASP A 139
THR A 206
LEU A 398
HIS A 404
 None
None
NAD  A 501 (-2.8A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
 1.29A 3g1uB-3oneA:
53.3		 3g1uB-3oneA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
GLN A  66
ASP A 139
THR A 206
LEU A 395
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
None
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.56A 3g1uB-3oneA:
53.3		 3g1uB-3oneA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_B_ADNB438_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		3 / 3 THR A  67
GLU A 205
HIS A 350
 ADE  A 506 (-4.5A)
None
None
 0.20A 3g1uB-3oneA:
53.3		 3g1uB-3oneA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.38A 3g1uC-3oneA:
54.0		 3g1uC-3oneA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 LEU A  61
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
 None
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
 0.98A 3g1uC-3oneA:
54.0		 3g1uC-3oneA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.59A 3g1uC-3oneA:
54.0		 3g1uC-3oneA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_C_ADNC438_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 GLN A  66
THR A  67
THR A 206
HIS A 350
HIS A 404
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
ADE  A 506 (-3.4A)
 0.20A 3g1uC-3oneA:
54.0		 3g1uC-3oneA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 LEU A  61
ASP A 139
THR A 206
ASP A 239
LEU A 398
 None
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
 1.16A 3g1uD-3oneA:
53.9		 3g1uD-3oneA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
THR A 206
ASP A 239
LEU A 395
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.54A 3g1uD-3oneA:
53.9		 3g1uD-3oneA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_D_ADND438_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 4 GLN A  66
THR A  67
GLU A 205
HIS A 350
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
None
 0.25A 3g1uD-3oneA:
53.9		 3g1uD-3oneA:
58.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G5D_A_1N1A1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
GLU A 230
THR A 265
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.52A 3g5dA-2qluA:
26.5		 3g5dA-2qluA:
26.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G5D_B_1N1B1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		8 / 12 VAL A 204
ALA A 215
LYS A 217
GLU A 230
THR A 265
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.59A 3g5dB-2qluA:
26.4		 3g5dB-2qluA:
26.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.33A 3glqA-3oneA:
57.9		 3glqA-3oneA:
57.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 LEU A  61
ASP A 139
LYS A 235
ASP A 239
LEU A 398
HIS A 404
 None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
 1.25A 3glqA-3oneA:
57.9		 3glqA-3oneA:
57.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.55A 3glqA-3oneA:
57.9		 3glqA-3oneA:
57.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 GLN A  66
THR A  67
GLU A 205
THR A 206
HIS A 350
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
None
 0.50A 3glqA-3oneA:
57.9		 3glqA-3oneA:
57.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.29A 3glqB-3oneA:
58.2		 3glqB-3oneA:
57.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 LEU A  61
ASP A 139
LYS A 235
ASP A 239
LEU A 398
HIS A 404
 None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
 1.24A 3glqB-3oneA:
58.2		 3glqB-3oneA:
57.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.56A 3glqB-3oneA:
58.2		 3glqB-3oneA:
57.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 GLN A  66
THR A  67
GLU A 205
THR A 206
HIS A 350
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
None
 0.19A 3glqB-3oneA:
58.2		 3glqB-3oneA:
57.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GYQ_B_SAMB270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		5 / 11 ALA A 106
ILE A 104
SER A 152
LEU A 175
VAL A 177
 None
None
None
None
ADE  A 301 (-4.4A)
 0.98A 3gyqB-4daoA:
2.6		 3gyqB-4daoA:
25.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H9U_A_ADNA439_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		10 / 10 LEU A  61
HIS A  62
THR A  64
GLN A  66
THR A  67
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.49A 3h9uA-3oneA:
56.1		 3h9uA-3oneA:
59.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H9U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		10 / 10 HIS A  62
THR A  64
GLN A  66
THR A  67
ASN A 397
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-3.0A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.16A 3h9uB-3oneA:
56.0		 3h9uB-3oneA:
59.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H9U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		10 / 10 LEU A  61
HIS A  62
THR A  64
GLN A  66
THR A  67
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.49A 3h9uC-3oneA:
56.2		 3h9uC-3oneA:
59.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H9U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		10 / 10 LEU A  61
HIS A  62
THR A  64
GLN A  66
THR A  67
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.50A 3h9uD-3oneA:
56.4		 3h9uD-3oneA:
59.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IJD_A_C2FA314_0
(UNCHARACTERIZED
PROTEIN)		 3waz PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pyrococcus
abyssi) 		5 / 12 LEU A  78
VAL A 164
GLY A 148
ILE A 206
LEU A 201
 None
ADE  A 301 (-3.8A)
None
None
None
 1.09A 3ijdA-3wazA:
undetectable		 3ijdA-3wazA:
25.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IJD_A_C2FA314_0
(UNCHARACTERIZED
PROTEIN)		 3waz PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pyrococcus
abyssi) 		5 / 12 TYR A  68
VAL A 164
GLY A 148
ILE A 206
LEU A 201
 ADE  A 301 (-4.2A)
ADE  A 301 (-3.8A)
None
None
None
 0.85A 3ijdA-3wazA:
undetectable		 3ijdA-3wazA:
25.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IJD_B_C2FB314_0
(UNCHARACTERIZED
PROTEIN)		 3waz PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pyrococcus
abyssi) 		5 / 12 LEU A  78
VAL A 164
GLY A 148
ILE A 206
LEU A 201
 None
ADE  A 301 (-3.8A)
None
None
None
 1.13A 3ijdB-3wazA:
undetectable		 3ijdB-3wazA:
25.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IJD_B_C2FB314_0
(UNCHARACTERIZED
PROTEIN)		 3waz PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pyrococcus
abyssi) 		5 / 12 TYR A  68
VAL A 164
GLY A 148
ILE A 206
LEU A 201
 ADE  A 301 (-4.2A)
ADE  A 301 (-3.8A)
None
None
None
 0.83A 3ijdB-3wazA:
undetectable		 3ijdB-3wazA:
25.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK3_A_0LIA1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		5 / 12 ALA A 215
LEU A 244
HIS A 319
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
None
ADE  A 488 (-4.4A)
None
 0.51A 3ik3A-2qluA:
24.7		 3ik3A-2qluA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK3_B_0LIB2_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		5 / 12 ALA A 215
LEU A 244
HIS A 319
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
None
ADE  A 488 (-4.4A)
None
 0.50A 3ik3B-2qluA:
24.4		 3ik3B-2qluA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K5V_A_STIA2_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 ALA A 215
ILE A 233
THR A 265
PHE A 267
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 1.11A 3k5vA-2qluA:
24.1		 3k5vA-2qluA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K5V_A_STIA2_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
GLU A 230
THR A 265
PHE A 267
GLY A 271
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
None
 0.83A 3k5vA-2qluA:
24.1		 3k5vA-2qluA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K5V_A_STIA2_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
THR A 265
PHE A 267
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.72A 3k5vA-2qluA:
24.1		 3k5vA-2qluA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K5V_B_STIB2_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 ALA A 215
ILE A 233
THR A 265
PHE A 267
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 1.11A 3k5vB-2qluA:
24.0		 3k5vB-2qluA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K5V_B_STIB2_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
GLU A 230
THR A 265
PHE A 267
GLY A 271
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
None
 0.86A 3k5vB-2qluA:
24.0		 3k5vB-2qluA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K5V_B_STIB2_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
THR A 265
PHE A 267
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.72A 3k5vB-2qluA:
24.0		 3k5vB-2qluA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEC_A_HAEA272_1
(COLLAGENASE 3)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		4 / 5 LEU A 251
HIS A  16
HIS A  18
HIS A 196
 None
ZN  A 327 (-3.4A)
ADE  A 328 ( 3.0A)
ZN  A 327 ( 3.5A)
 0.91A 3kecA-3paoA:
undetectable		 3kecA-3paoA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEC_A_HAEA272_1
(COLLAGENASE 3)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		4 / 5 LEU A 254
HIS A  19
HIS A  21
HIS A 199
 None
ZN  A 344 (-3.5A)
ADE  A 345 ( 3.2A)
ZN  A 344 ( 3.4A)
 0.91A 3kecA-3rysA:
undetectable		 3kecA-3rysA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KIV_A_ACAA100_1
(APOLIPOPROTEIN)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		4 / 7 ASP A 281
ASP A 280
PHE A  56
ARG A 253
 ADE  A 345 (-2.8A)
ZN  A 344 ( 2.5A)
None
None
 1.45A 3kivA-3rysA:
undetectable		 3kivA-3rysA:
11.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3L8L_B_DVAB8_0
(GRAMICIDIN D)		 3waz PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pyrococcus
abyssi) 		3 / 3 VAL A 166
VAL A 164
TRP A  64
 None
ADE  A 301 (-3.8A)
None
 0.79A 3l8lA-3wazA:
undetectable
3l8lB-3wazA:
undetectable		 3l8lA-3wazA:
5.35
3l8lB-3wazA:
5.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3L8L_D_DVAD8_0
(GRAMICIDIN D)		 3waz PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pyrococcus
abyssi) 		3 / 3 VAL A 166
VAL A 164
TRP A  64
 None
ADE  A 301 (-3.8A)
None
 0.95A 3l8lC-3wazA:
undetectable
3l8lD-3wazA:
undetectable		 3l8lC-3wazA:
5.35
3l8lD-3wazA:
5.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LJG_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		4 / 5 ILE A 139
HIS A  21
HIS A  19
HIS A 199
 None
ADE  A 345 ( 3.2A)
ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
 0.97A 3ljgA-3rysA:
undetectable		 3ljgA-3rysA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MIY_B_B49B2_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		5 / 9 ALA A 215
LYS A 217
PHE A 267
GLY A 271
LEU A 328
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
 0.66A 3miyB-2qluA:
25.6		 3miyB-2qluA:
25.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MS9_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
ILE A 233
THR A 265
PHE A 267
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.4A)
None
 1.13A 3ms9A-2qluA:
24.3		 3ms9A-2qluA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MS9_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
THR A 265
PHE A 267
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.4A)
None
 0.79A 3ms9A-2qluA:
24.3		 3ms9A-2qluA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MS9_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 ALA A 215
ILE A 233
THR A 265
PHE A 267
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 1.11A 3ms9B-2qluA:
24.4		 3ms9B-2qluA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MS9_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
THR A 265
PHE A 267
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.74A 3ms9B-2qluA:
24.4		 3ms9B-2qluA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
ILE A 233
THR A 265
PHE A 267
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.4A)
None
 1.16A 3mssA-2qluA:
24.4		 3mssA-2qluA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
THR A 265
PHE A 267
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.4A)
None
 0.80A 3mssA-2qluA:
24.4		 3mssA-2qluA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 ALA A 215
ILE A 233
THR A 265
PHE A 267
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 1.06A 3mssB-2qluA:
24.4		 3mssB-2qluA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_C_STIC1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
THR A 265
PHE A 267
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.4A)
None
 0.80A 3mssC-2qluA:
24.4		 3mssC-2qluA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_D_STID1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 ALA A 215
ILE A 233
THR A 265
PHE A 267
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 1.07A 3mssD-2qluA:
24.3		 3mssD-2qluA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N2O_A_AG2A1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		 4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE
(Planctopirus
limnophila) 		5 / 9 SER A 213
HIS A  62
GLY A  30
ASP A 236
LEU A 193
 SO4  A 400 (-2.5A)
SO4  A 400 (-4.5A)
SO4  A 400 (-3.3A)
ADE  A 401 (-3.0A)
ADE  A 401 (-4.5A)
 1.05A 3n2oA-4m1eA:
0.3
3n2oB-4m1eA:
0.2		 3n2oA-4m1eA:
18.04
3n2oB-4m1eA:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N2O_D_AG2D1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		 4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE
(Planctopirus
limnophila) 		5 / 10 SER A 213
HIS A  62
GLY A  30
ASP A 236
LEU A 193
 SO4  A 400 (-2.5A)
SO4  A 400 (-4.5A)
SO4  A 400 (-3.3A)
ADE  A 401 (-3.0A)
ADE  A 401 (-4.5A)
 1.15A 3n2oC-4m1eA:
undetectable
3n2oD-4m1eA:
undetectable		 3n2oC-4m1eA:
18.04
3n2oD-4m1eA:
18.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.34A 3n58A-3oneA:
57.9		 3n58A-3oneA:
60.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		11 / 12 HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.21A 3n58A-3oneA:
57.9		 3n58A-3oneA:
60.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 LEU A  61
ASP A 139
LYS A 235
ASP A 239
LEU A 398
HIS A 404
 None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
 1.29A 3n58A-3oneA:
57.9		 3n58A-3oneA:
60.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		9 / 12 LEU A  61
THR A  64
ASP A 139
LYS A 235
ASP A 239
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.64A 3n58A-3oneA:
57.9		 3n58A-3oneA:
60.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 GLN A  66
THR A  67
GLU A 205
THR A 206
HIS A 350
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
None
 0.14A 3n58A-3oneA:
57.9		 3n58A-3oneA:
60.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 ASP A 139
THR A 206
LYS A 235
ASP A 239
LEU A 398
 None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
 1.13A 3n58C-3oneA:
58.0		 3n58C-3oneA:
60.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.49A 3n58C-3oneA:
58.0		 3n58C-3oneA:
60.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 HIS A  62
THR A  64
ASP A 139
THR A 206
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.24A 3n58C-3oneA:
58.0		 3n58C-3oneA:
60.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
THR A 206
ASP A 239
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
 1.29A 3n58C-3oneA:
58.0		 3n58C-3oneA:
60.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 THR A  67
ASP A 139
THR A 206
ASP A 239
LEU A 398
 ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
 1.35A 3n58C-3oneA:
58.0		 3n58C-3oneA:
60.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_C_ADNC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 LEU A  61
GLN A  66
THR A  67
GLU A 205
HIS A 350
 None
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
None
 0.71A 3n58C-3oneA:
58.0		 3n58C-3oneA:
60.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.28A 3n58D-3oneA:
57.8		 3n58D-3oneA:
60.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
THR A 206
ASP A 239
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
 1.32A 3n58D-3oneA:
57.8		 3n58D-3oneA:
60.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 LEU A  61
ASP A 139
THR A 206
LYS A 235
ASP A 239
LEU A 398
HIS A 404
 None
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
 1.26A 3n58D-3oneA:
57.8		 3n58D-3oneA:
60.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
THR A 206
LYS A 235
ASP A 239
LEU A 395
LEU A 398
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.50A 3n58D-3oneA:
57.8		 3n58D-3oneA:
60.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 THR A  67
ASP A 139
THR A 206
ASP A 239
LEU A 398
 ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
 1.37A 3n58D-3oneA:
57.8		 3n58D-3oneA:
60.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_D_ADND500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 4 GLN A  66
THR A  67
GLU A 205
HIS A 350
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
None
 0.11A 3n58D-3oneA:
57.8		 3n58D-3oneA:
60.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O7W_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 12 GLY A   7
ILE A  13
LEU A 210
GLU A 171
VAL A  76
 None
None
None
None
ADE  A 305 (-4.8A)
 1.08A 3o7wA-4jwtA:
undetectable		 3o7wA-4jwtA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
LYS A 217
LEU A 245
THR A 265
GLY A 341
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
None
 0.83A 3og7A-2qluA:
25.1		 3og7A-2qluA:
26.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
LYS A 217
LEU A 245
THR A 265
PHE A 340
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
None
 0.85A 3og7A-2qluA:
25.1		 3og7A-2qluA:
26.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OGP_B_017B200_2
(FIV PROTEASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		6 / 9 GLY A   8
ALA A   9
ILE A  51
MET A 172
GLY A 174
ILE A 190
 None
None
None
ADE  A 301 (-4.1A)
None
None
 1.30A 3ogpB-4josA:
undetectable		 3ogpB-4josA:
19.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OND_A_ADNA506_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.38A 3ondA-3oneA:
65.1		 3ondA-3oneA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OND_A_ADNA506_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 HIS A  62
THR A  64
ASP A 139
GLU A 205
THR A 206
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.15A 3ondA-3oneA:
65.1		 3ondA-3oneA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OND_A_ADNA506_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
THR A 206
ASP A 239
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
 1.31A 3ondA-3oneA:
65.1		 3ondA-3oneA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OND_A_ADNA506_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		3 / 3 GLN A  66
THR A  67
LEU A 395
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-4.2A)
 0.32A 3ondA-3oneA:
65.1		 3ondA-3oneA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OND_B_ADNB507_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.37A 3ondB-3oneA:
62.7		 3ondB-3oneA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OND_B_ADNB507_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 HIS A  62
THR A  64
ASP A 139
GLU A 205
THR A 206
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.17A 3ondB-3oneA:
62.7		 3ondB-3oneA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OND_B_ADNB507_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
THR A 206
ASP A 239
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
 1.31A 3ondB-3oneA:
62.7		 3ondB-3oneA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OND_B_ADNB507_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		3 / 3 GLN A  66
THR A  67
LEU A 395
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-4.2A)
 0.34A 3ondB-3oneA:
62.7		 3ondB-3oneA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXZ_A_0LIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
GLU A 230
LEU A 244
THR A 265
GLY A 271
ALA A 338
 ADE  A 488 (-3.2A)
None
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
None
 0.65A 3oxzA-2qluA:
25.0		 3oxzA-2qluA:
23.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXZ_A_0LIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
LEU A 244
THR A 265
GLY A 271
HIS A 319
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
None
None
 0.50A 3oxzA-2qluA:
25.0		 3oxzA-2qluA:
23.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PYY_A_STIA3_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
THR A 265
PHE A 267
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.42A 3pyyA-2qluA:
24.5		 3pyyA-2qluA:
27.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q5S_A_ACHA1289_0
(MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR)		 2qes RIBOSOME-INACTIVATIN
G PROTEIN PD-L4
(Phytolacca
dioica) 		4 / 6 ASN A 197
TYR A 122
GLU A 175
ILE A 182
 None
ADE  A 501 (-3.7A)
ADE  A 501 ( 4.7A)
None
 1.08A 3q5sA-2qesA:
undetectable		 3q5sA-2qesA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QLG_B_1N1B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		8 / 12 VAL A 204
ALA A 215
GLU A 230
THR A 265
GLY A 271
LEU A 328
ALA A 338
ASP A 339
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
None
 0.73A 3qlgB-2qluA:
26.0		 3qlgB-2qluA:
26.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QPK_A_CUA602_0
(LACCASE-1)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		3 / 3 HIS A 196
HIS A  16
HIS A  18
 ZN  A 327 ( 3.5A)
ZN  A 327 (-3.4A)
ADE  A 328 ( 3.0A)
 0.60A 3qpkA-3paoA:
undetectable		 3qpkA-3paoA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QPK_A_CUA602_0
(LACCASE-1)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		3 / 3 HIS A 199
HIS A  19
HIS A  21
 ZN  A 344 ( 3.4A)
ZN  A 344 (-3.5A)
ADE  A 345 ( 3.2A)
 0.61A 3qpkA-3rysA:
undetectable		 3qpkA-3rysA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RXH_A_HSMA7_1
(CATIONIC TRYPSIN)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		4 / 5 ASP A 196
SER A 195
VAL A  77
GLY A  79
 ADE  A 301 (-2.8A)
ADE  A 301 (-3.3A)
None
ADE  A 301 (-3.7A)
 1.02A 3rxhA-4josA:
undetectable		 3rxhA-4josA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RXH_A_HSMA7_1
(CATIONIC TRYPSIN)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		4 / 5 ASP A 196
SER A 195
VAL A  76
GLY A  78
 ADE  A 305 (-2.8A)
ADE  A 305 (-3.2A)
ADE  A 305 (-4.8A)
ADE  A 305 (-3.6A)
 1.02A 3rxhA-4jwtA:
undetectable		 3rxhA-4jwtA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RXH_A_HSMA7_1
(CATIONIC TRYPSIN)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		4 / 5 ASP A 204
SER A 203
SER A 223
GLY A  81
 ADE  A 301 (-3.0A)
ADE  A 301 (-3.1A)
None
ADE  A 301 (-3.6A)
 1.03A 3rxhA-4l0mA:
undetectable		 3rxhA-4l0mA:
21.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U40_A_ADNA251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		7 / 9 MET A  64
ARG A  87
SER A  90
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 0.43A 3u40A-4daoA:
22.7
3u40F-4daoA:
35.1		 3u40A-4daoA:
43.31
3u40F-4daoA:
43.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_A_ADNA251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		5 / 9 SER A  76
VAL A 177
GLU A 178
MET A 179
GLU A 180
 ADE  A 302 ( 3.7A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
 0.60A 3u40A-5dk6A:
23.0
3u40F-5dk6A:
22.6		 3u40A-5dk6A:
28.42
3u40F-5dk6A:
28.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U40_B_ADNB251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		7 / 10 MET A  64
ARG A  87
SER A  90
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 0.35A 3u40B-4daoA:
35.9
3u40C-4daoA:
35.2		 3u40B-4daoA:
43.31
3u40C-4daoA:
43.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_B_ADNB251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		5 / 10 SER A  76
VAL A 177
GLU A 178
MET A 179
GLU A 180
 ADE  A 302 ( 3.7A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
 0.53A 3u40B-5dk6A:
22.9
3u40C-5dk6A:
23.1		 3u40B-5dk6A:
28.42
3u40C-5dk6A:
28.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U40_C_ADNC251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 12 ARG A  87
GLY A 176
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 1.40A 3u40B-4daoA:
35.9
3u40C-4daoA:
35.2		 3u40B-4daoA:
43.31
3u40C-4daoA:
43.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U40_C_ADNC251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		9 / 12 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-4.1A)
 0.57A 3u40B-4daoA:
35.9
3u40C-4daoA:
35.2		 3u40B-4daoA:
43.31
3u40C-4daoA:
43.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_C_ADNC251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		5 / 12 GLY A  79
GLU A 171
MET A 172
GLU A 173
ASP A 196
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-2.8A)
 0.44A 3u40B-4josA:
23.1
3u40C-4josA:
15.1		 3u40B-4josA:
25.00
3u40C-4josA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_C_ADNC251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 12 GLY A  78
GLU A 171
MET A 172
GLU A 173
ASP A 196
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-2.8A)
 0.44A 3u40B-4jwtA:
22.8
3u40C-4jwtA:
22.8		 3u40B-4jwtA:
23.64
3u40C-4jwtA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_C_ADNC251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		6 / 12 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
ASP A 204
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.0A)
 0.49A 3u40B-4l0mA:
22.6
3u40C-4l0mA:
22.3		 3u40B-4l0mA:
22.26
3u40C-4l0mA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_C_ADNC251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		5 / 12 GLY A 113
VAL A 208
MET A 210
ASP A 234
CYH A 236
 ADE  A 502 (-3.6A)
ADE  A 502 (-4.5A)
MPD  A 503 ( 3.2A)
ADE  A 502 (-2.9A)
ADE  A 502 (-3.4A)
 0.52A 3u40B-4lnaA:
20.6
3u40C-4lnaA:
20.2		 3u40B-4lnaA:
21.81
3u40C-4lnaA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_C_ADNC251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE
(Planctopirus
limnophila) 		5 / 12 GLY A 116
VAL A 210
MET A 212
ASP A 236
CYH A 238
 ADE  A 401 (-3.7A)
ADE  A 401 (-4.4A)
ADE  A 401 (-4.2A)
ADE  A 401 (-3.0A)
ADE  A 401 (-3.4A)
 0.51A 3u40B-4m1eA:
20.2
3u40C-4m1eA:
19.9		 3u40B-4m1eA:
22.46
3u40C-4m1eA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_C_ADNC251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		6 / 12 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
ASP A 168
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-2.8A)
 0.59A 3u40B-4pr3A:
14.5
3u40C-4pr3A:
9.2		 3u40B-4pr3A:
25.10
3u40C-4pr3A:
25.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_C_ADNC251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		7 / 12 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
ASP B 198
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-2.4A)
 0.65A 3u40B-4qezB:
22.8
3u40C-4qezB:
22.7		 3u40B-4qezB:
26.07
3u40C-4qezB:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_C_ADNC251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		7 / 12 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-2.9A)
 0.46A 3u40B-5dk6A:
23.0
3u40C-5dk6A:
23.1		 3u40B-5dk6A:
28.42
3u40C-5dk6A:
28.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U40_D_ADND251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 11 ARG A  87
GLY A 176
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 1.38A 3u40D-4daoA:
22.7
3u40E-4daoA:
34.9		 3u40D-4daoA:
43.31
3u40E-4daoA:
43.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U40_D_ADND251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		9 / 11 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-4.1A)
 0.61A 3u40D-4daoA:
22.7
3u40E-4daoA:
34.9		 3u40D-4daoA:
43.31
3u40E-4daoA:
43.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_D_ADND251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		5 / 11 GLY A  79
GLU A 171
MET A 172
GLU A 173
ASP A 196
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-2.8A)
 0.45A 3u40D-4josA:
23.2
3u40E-4josA:
23.0		 3u40D-4josA:
25.00
3u40E-4josA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_D_ADND251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 11 GLY A  78
GLU A 171
MET A 172
GLU A 173
ASP A 196
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-2.8A)
 0.46A 3u40D-4jwtA:
23.0
3u40E-4jwtA:
22.8		 3u40D-4jwtA:
23.64
3u40E-4jwtA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_D_ADND251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		6 / 11 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
ASP A 204
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.0A)
 0.50A 3u40D-4l0mA:
22.9
3u40E-4l0mA:
22.2		 3u40D-4l0mA:
22.26
3u40E-4l0mA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_D_ADND251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		6 / 11 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
ASP A 168
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-2.8A)
 0.57A 3u40D-4pr3A:
9.0
3u40E-4pr3A:
8.9		 3u40D-4pr3A:
25.10
3u40E-4pr3A:
25.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_D_ADND251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		7 / 11 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
ASP B 198
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-2.4A)
 0.65A 3u40D-4qezB:
23.1
3u40E-4qezB:
22.6		 3u40D-4qezB:
26.07
3u40E-4qezB:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_D_ADND251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		7 / 11 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-2.9A)
 0.46A 3u40D-5dk6A:
23.2
3u40E-5dk6A:
22.9		 3u40D-5dk6A:
28.42
3u40E-5dk6A:
28.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U40_E_ADNE251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 12 ARG A  87
GLY A 176
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 1.41A 3u40D-4daoA:
22.7
3u40E-4daoA:
34.9		 3u40D-4daoA:
43.31
3u40E-4daoA:
43.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U40_E_ADNE251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		9 / 12 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-4.1A)
 0.61A 3u40D-4daoA:
22.7
3u40E-4daoA:
34.9		 3u40D-4daoA:
43.31
3u40E-4daoA:
43.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_E_ADNE251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		5 / 12 GLY A  79
GLU A 171
MET A 172
GLU A 173
ASP A 196
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-2.8A)
 0.45A 3u40D-4josA:
23.2
3u40E-4josA:
23.0		 3u40D-4josA:
25.00
3u40E-4josA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_E_ADNE251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 12 GLY A  78
GLU A 171
MET A 172
GLU A 173
ASP A 196
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-2.8A)
 0.43A 3u40D-4jwtA:
23.0
3u40E-4jwtA:
22.8		 3u40D-4jwtA:
23.64
3u40E-4jwtA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_E_ADNE251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		6 / 12 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
ASP A 204
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.0A)
 0.45A 3u40D-4l0mA:
22.9
3u40E-4l0mA:
22.3		 3u40D-4l0mA:
22.26
3u40E-4l0mA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_E_ADNE251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		5 / 12 GLY A 113
VAL A 208
MET A 210
ASP A 234
CYH A 236
 ADE  A 502 (-3.6A)
ADE  A 502 (-4.5A)
MPD  A 503 ( 3.2A)
ADE  A 502 (-2.9A)
ADE  A 502 (-3.4A)
 0.43A 3u40D-4lnaA:
20.6
3u40E-4lnaA:
20.2		 3u40D-4lnaA:
21.81
3u40E-4lnaA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_E_ADNE251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE
(Planctopirus
limnophila) 		5 / 12 GLY A 116
VAL A 210
MET A 212
ASP A 236
CYH A 238
 ADE  A 401 (-3.7A)
ADE  A 401 (-4.4A)
ADE  A 401 (-4.2A)
ADE  A 401 (-3.0A)
ADE  A 401 (-3.4A)
 0.42A 3u40D-4m1eA:
20.2
3u40E-4m1eA:
19.8		 3u40D-4m1eA:
22.46
3u40E-4m1eA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_E_ADNE251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		6 / 12 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
ASP A 168
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-2.8A)
 0.51A 3u40D-4pr3A:
9.0
3u40E-4pr3A:
8.9		 3u40D-4pr3A:
25.10
3u40E-4pr3A:
25.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_E_ADNE251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		7 / 12 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
ASP B 198
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-2.4A)
 0.64A 3u40D-4qezB:
23.1
3u40E-4qezB:
22.6		 3u40D-4qezB:
26.07
3u40E-4qezB:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_E_ADNE251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		7 / 12 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-2.9A)
 0.42A 3u40D-5dk6A:
23.2
3u40E-5dk6A:
22.9		 3u40D-5dk6A:
28.42
3u40E-5dk6A:
28.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U40_F_ADNF251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 10 MET A  64
ARG A  87
SER A  90
VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-4.1A)
 0.68A 3u40A-4daoA:
22.7
3u40F-4daoA:
35.1		 3u40A-4daoA:
43.31
3u40F-4daoA:
43.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_F_ADNF251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		5 / 10 SER A  79
VAL A 178
MET A 180
GLU A 181
ASP A 204
 ADE  A 301 (-3.5A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.0A)
 0.83A 3u40A-4l0mA:
22.7
3u40F-4l0mA:
21.9		 3u40A-4l0mA:
22.26
3u40F-4l0mA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_F_ADNF251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		5 / 10 SER A  65
VAL A 142
MET A 144
GLU A 145
ASP A 168
 ADE  A 501 (-3.5A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-2.8A)
 0.85A 3u40A-4pr3A:
14.5
3u40F-4pr3A:
14.6		 3u40A-4pr3A:
25.10
3u40F-4pr3A:
25.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_F_ADNF251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		6 / 10 SER B  76
VAL B 172
GLU B 173
MET B 174
GLU B 175
ASP B 198
 TRS  B 302 (-2.8A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-2.4A)
 0.86A 3u40A-4qezB:
22.8
3u40F-4qezB:
22.4		 3u40A-4qezB:
26.07
3u40F-4qezB:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_F_ADNF251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		6 / 10 SER A  76
VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 ADE  A 302 ( 3.7A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-2.9A)
 0.76A 3u40A-5dk6A:
23.0
3u40F-5dk6A:
22.6		 3u40A-5dk6A:
28.42
3u40F-5dk6A:
28.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U6T_A_KANA4699_1
(RIBOSOME
INACTIVATING PROTEIN)		 1aha ALPHA-MOMORCHARIN
(Momordica
charantia) 		9 / 10 ILE A  71
GLU A  85
SER A 108
ASN A 110
TYR A 111
ILE A 155
ALA A 159
GLU A 160
ARG A 163
 ADE  A 339 (-3.9A)
None
None
None
ADE  A 339 ( 3.6A)
ADE  A 339 (-4.1A)
ADE  A 339 ( 3.7A)
ADE  A 339 (-4.5A)
ADE  A 339 ( 2.9A)
 0.68A 3u6tA-1ahaA:
43.7		 3u6tA-1ahaA:
94.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U6T_A_KANA4699_1
(RIBOSOME
INACTIVATING PROTEIN)		 1aha ALPHA-MOMORCHARIN
(Momordica
charantia) 		8 / 10 TYR A  70
ILE A  71
GLU A  85
SER A 108
ASN A 110
ALA A 159
GLU A 160
ARG A 163
 ADE  A 339 ( 3.8A)
ADE  A 339 (-3.9A)
None
None
None
ADE  A 339 ( 3.7A)
ADE  A 339 (-4.5A)
ADE  A 339 ( 2.9A)
 0.85A 3u6tA-1ahaA:
43.7		 3u6tA-1ahaA:
94.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 3lgs 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASES
(Arabidopsis
thaliana) 		5 / 11 THR A 116
GLY A 118
MET A 201
GLU A 202
ASP A 225
 SAH  A 268 (-3.8A)
ADE  A 269 ( 3.6A)
SAH  A 268 ( 3.3A)
SAH  A 268 (-3.1A)
ADE  A 269 ( 3.0A)
 0.53A 3uawA-3lgsA:
21.1		 3uawA-3lgsA:
24.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 11 ARG A  87
GLY A 176
VAL A 177
GLU A 178
GLU A 180
ILE A  94
 None
None
ADE  A 301 (-4.4A)
None
None
None
 1.49A 3uawA-4daoA:
38.3		 3uawA-4daoA:
71.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 11 MET A  64
ARG A  87
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
 None
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
 0.40A 3uawA-4daoA:
38.3		 3uawA-4daoA:
71.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 11 MET A  64
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
 0.67A 3uawA-4daoA:
38.3		 3uawA-4daoA:
71.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		6 / 11 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
ADE  A 301 (-2.8A)
 0.47A 3uawA-4josA:
23.9		 3uawA-4josA:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		6 / 11 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
ADE  A 305 (-2.8A)
 0.44A 3uawA-4jwtA:
23.5		 3uawA-4jwtA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		5 / 11 GLY A  81
VAL A 178
GLU A 181
SER A 203
ILE A  83
 ADE  A 301 (-3.6A)
None
None
ADE  A 301 (-3.1A)
None
 1.21A 3uawA-4l0mA:
23.3		 3uawA-4l0mA:
24.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		6 / 11 GLY A  81
VAL A 178
MET A 180
GLU A 181
SER A 203
ASP A 204
 ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
ADE  A 301 (-3.0A)
 0.49A 3uawA-4l0mA:
23.3		 3uawA-4l0mA:
24.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		6 / 11 GLY A  67
VAL A 142
MET A 144
GLU A 145
SER A 167
ASP A 168
 ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
ADE  A 501 (-2.8A)
 0.51A 3uawA-4pr3A:
7.5		 3uawA-4pr3A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		7 / 11 GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
SER B 197
ASP B 198
 ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
ADE  B 301 (-2.4A)
 0.61A 3uawA-4qezB:
23.7		 3uawA-4qezB:
24.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		7 / 11 GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
ADE  A 302 (-2.9A)
 0.47A 3uawA-5dk6A:
24.0		 3uawA-5dk6A:
24.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UAY_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 10 ARG A  87
GLY A 176
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 1.48A 3uayA-4daoA:
39.4		 3uayA-4daoA:
70.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UAY_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		7 / 10 MET A  64
ARG A  87
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 0.33A 3uayA-4daoA:
39.4		 3uayA-4daoA:
70.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UAY_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		5 / 10 GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
 ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
 0.65A 3uayA-4qezB:
23.4		 3uayA-4qezB:
25.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UAY_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		5 / 10 GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
 ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
 0.48A 3uayA-5dk6A:
23.6		 3uayA-5dk6A:
24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UG2_A_IREA1_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
LYS A 217
LEU A 263
GLY A 271
ASP A 275
LEU A 328
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
None
ADE  A 488 ( 4.1A)
None
ADE  A 488 (-4.4A)
 0.87A 3ug2A-2qluA:
26.0		 3ug2A-2qluA:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VRM_A_VD3A502_1
(VITAMIN D(3)
25-HYDROXYLASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 12 ILE A  90
LEU A 170
LEU A  84
ILE A  80
ILE A 190
 None
ADE  A 305 (-4.7A)
None
None
None
 1.01A 3vrmA-4jwtA:
undetectable		 3vrmA-4jwtA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZOS_A_0LIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 ALA A 215
LYS A 217
THR A 265
LEU A 301
HIS A 319
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
None
None
ADE  A 488 (-4.4A)
None
 0.67A 3zosA-2qluA:
23.7		 3zosA-2qluA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZOS_B_0LIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		8 / 12 ALA A 215
LYS A 217
GLU A 230
THR A 265
LEU A 301
HIS A 319
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
None
ADE  A 488 (-4.3A)
None
None
ADE  A 488 (-4.4A)
None
 0.87A 3zosB-2qluA:
23.9		 3zosB-2qluA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A6D_A_SAMA1350_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 12 LEU A 210
GLY A  75
ILE A  13
PHE A  73
ALA A  77
 None
None
None
None
ADE  A 305 (-4.8A)
 1.13A 4a6dA-4jwtA:
undetectable		 4a6dA-4jwtA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A7B_A_HAEA1273_1
(COLLAGENASE 3)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		4 / 6 LEU A 251
HIS A  16
HIS A  18
HIS A 196
 None
ZN  A 327 (-3.4A)
ADE  A 328 ( 3.0A)
ZN  A 327 ( 3.5A)
 0.88A 4a7bA-3paoA:
undetectable		 4a7bA-3paoA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AG8_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
LYS A 217
GLU A 230
PHE A 267
GLY A 271
LEU A 328
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
 0.76A 4ag8A-2qluA:
24.8		 4ag8A-2qluA:
25.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		8 / 12 LEU A  56
LEU A  60
HIS A 196
GLU A 199
GLU A 171
HIS A 220
SER A 247
ASP A 277
 ADE  A 328 (-4.6A)
ADE  A 328 (-4.9A)
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
None
ADE  A 328 ( 4.2A)
ADE  A 328 ( 4.5A)
ZN  A 327 ( 2.6A)
 0.81A 4aqlA-3paoA:
5.0		 4aqlA-3paoA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		8 / 12 LEU A  59
LEU A  63
HIS A 199
GLU A 202
GLU A 174
HIS A 223
SER A 250
ASP A 280
 ADE  A 345 (-4.5A)
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
None
ADE  A 345 ( 4.2A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
 0.78A 4aqlA-3rysA:
22.4		 4aqlA-3rysA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ASD_A_BAXA1500_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		8 / 12 VAL A 204
ALA A 215
LYS A 217
GLU A 230
PHE A 267
GLY A 271
LEU A 301
HIS A 319
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
None
None
 0.89A 4asdA-2qluA:
24.3		 4asdA-2qluA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZW_A_SAMA1451_0
(WBDD)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		5 / 12 GLY A  81
PHE A 215
ASN A 211
GLU A  11
LEU A 153
 ADE  A 301 (-3.6A)
ADE  A 301 (-4.7A)
ADE  A 301 (-4.5A)
None
None
 1.24A 4azwA-4l0mA:
undetectable		 4azwA-4l0mA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BBO_B_ACTB1114_0
(BLR5658 PROTEIN)		 3s99 BASIC MEMBRANE
LIPOPROTEIN
(Brucella
abortus) 		3 / 3 TRP A 249
TRP A  36
THR A  87
 None
ADE  A 400 (-3.4A)
None
 1.10A 4bboB-3s99A:
undetectable		 4bboB-3s99A:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BWL_C_MN9C1297_0
(N-ACETYLNEURAMINATE
LYASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		5 / 10 GLY A   7
GLU A 180
GLY A  75
SER A  76
PHE A 213
 None
None
None
ADE  A 302 ( 3.7A)
GLY  A 301 ( 4.7A)
 0.84A 4bwlC-5dk6A:
undetectable		 4bwlC-5dk6A:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 10 HIS A  16
HIS A 196
ASP A 277
ASP A 278
TYR A  63
 ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
ADE  A 328 (-4.0A)
 1.22A 4bz6A-3paoA:
undetectable		 4bz6A-3paoA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 10 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.20A 4bz6A-3rysA:
undetectable		 4bz6A-3rysA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  16
HIS A 196
ASP A 277
ASP A 278
TYR A  63
 ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
ADE  A 328 (-4.0A)
 1.25A 4bz6A-3paoA:
undetectable
4bz6B-3paoA:
undetectable		 4bz6A-3paoA:
22.62
4bz6B-3paoA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.22A 4bz6A-3rysA:
undetectable
4bz6B-3rysA:
undetectable		 4bz6A-3rysA:
21.41
4bz6B-3rysA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  16
HIS A 196
ASP A 277
ASP A 278
TYR A  63
 ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
ADE  A 328 (-4.0A)
 1.24A 4bz6C-3paoA:
undetectable		 4bz6C-3paoA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.22A 4bz6C-3rysA:
undetectable		 4bz6C-3rysA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 10 HIS A  16
HIS A 196
ASP A 277
ASP A 278
TYR A  63
 ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
ADE  A 328 (-4.0A)
 1.24A 4bz6D-3paoA:
undetectable		 4bz6D-3paoA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 10 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.22A 4bz6D-3rysA:
undetectable		 4bz6D-3rysA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C8B_A_0LIA1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 ALA A 215
LYS A 217
LEU A 245
THR A 265
HIS A 319
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
None
ADE  A 488 (-4.4A)
None
 0.41A 4c8bA-2qluA:
24.6		 4c8bA-2qluA:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C8B_B_0LIB1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 ALA A 215
LYS A 217
LEU A 245
THR A 265
HIS A 319
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
None
ADE  A 488 (-4.4A)
None
 0.52A 4c8bB-2qluA:
24.9		 4c8bB-2qluA:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CKI_A_ADNA2022_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 11 GLY A 199
VAL A 204
ALA A 215
GLY A 271
SER A 272
LEU A 328
 None
ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
ADE  A 488 ( 4.1A)
None
ADE  A 488 (-4.4A)
 0.43A 4ckiA-2qluA:
28.5		 4ckiA-2qluA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CSV_A_STIA1265_1
(SRC-ABL TYROSINE
KINASE ANCESTOR)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
GLU A 230
ILE A 233
THR A 265
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.4A)
None
 0.91A 4csvA-2qluA:
25.2		 4csvA-2qluA:
26.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4D9H_A_ADNA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 11 ARG A  87
GLY A 176
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 1.36A 4d9hA-4daoA:
43.2		 4d9hA-4daoA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4D9H_A_ADNA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		11 / 11 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
VAL A 205
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
ADE  A 301 (-4.3A)
 0.42A 4d9hA-4daoA:
43.2		 4d9hA-4daoA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D9H_A_ADNA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		5 / 11 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
 0.42A 4d9hA-4josA:
24.1		 4d9hA-4josA:
26.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D9H_A_ADNA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 11 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
 0.45A 4d9hA-4jwtA:
23.4		 4d9hA-4jwtA:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D9H_A_ADNA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		6 / 11 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
SER A 203
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
 0.53A 4d9hA-4l0mA:
23.2		 4d9hA-4l0mA:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D9H_A_ADNA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		5 / 11 SER A  79
GLY A  81
VAL A 178
SER A 203
ASP A 204
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 (-3.1A)
ADE  A 301 (-3.0A)
 0.74A 4d9hA-4l0mA:
23.2		 4d9hA-4l0mA:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D9H_A_ADNA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		6 / 11 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
SER A 167
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
 0.53A 4d9hA-4pr3A:
14.9		 4d9hA-4pr3A:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D9H_A_ADNA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		7 / 11 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
SER B 197
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
 0.67A 4d9hA-4qezB:
23.6		 4d9hA-4qezB:
24.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D9H_A_ADNA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		7 / 11 SER B  76
GLY B  78
VAL B 172
MET B 174
GLU B 175
SER B 197
ASP B 198
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
ADE  B 301 (-2.4A)
 0.81A 4d9hA-4qezB:
23.6		 4d9hA-4qezB:
24.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D9H_A_ADNA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		7 / 11 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
 0.53A 4d9hA-5dk6A:
23.5		 4d9hA-5dk6A:
25.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D9H_A_ADNA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		6 / 11 SER A  76
GLY A  78
VAL A 177
GLU A 178
SER A 202
ASP A 203
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-3.2A)
ADE  A 302 (-2.9A)
 0.68A 4d9hA-5dk6A:
23.5		 4d9hA-5dk6A:
25.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 9 MET A  64
SER A  90
GLY A  92
VAL A 177
MET A 179
GLU A 180
ASP A 203
VAL A 205
 None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-4.1A)
ADE  A 301 (-4.3A)
 0.51A 4da6A-4daoA:
42.0		 4da6A-4daoA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 9 MET A  64
SER A  90
GLY A  92
VAL A 177
MET A 179
GLU A 180
SER A 202
ASP A 203
 None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
 0.64A 4da6A-4daoA:
42.0		 4da6A-4daoA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		6 / 9 SER A  79
GLY A  81
VAL A 178
GLU A 181
SER A 203
ASP A 204
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
None
ADE  A 301 (-3.1A)
ADE  A 301 (-3.0A)
 0.91A 4da6A-4l0mA:
22.7		 4da6A-4l0mA:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		6 / 9 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
SER A 203
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
 0.66A 4da6A-4l0mA:
22.7		 4da6A-4l0mA:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		6 / 9 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
SER A 167
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
 0.70A 4da6A-4pr3A:
15.3		 4da6A-4pr3A:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		6 / 9 SER B  76
GLY B  78
MET B 174
GLU B 175
SER B 197
ASP B 198
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
ADE  B 301 (-2.4A)
 0.76A 4da6A-4qezB:
23.0		 4da6A-4qezB:
24.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		6 / 9 SER B  76
GLY B  78
VAL B 172
MET B 174
GLU B 175
ASP B 198
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-2.4A)
 0.86A 4da6A-4qezB:
23.0		 4da6A-4qezB:
24.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		6 / 9 SER A  76
GLY A  78
VAL A 177
MET A 179
GLU A 180
SER A 202
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
 0.65A 4da6A-5dk6A:
23.1		 4da6A-5dk6A:
25.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		5 / 9 SER A  76
GLY A  78
VAL A 177
SER A 202
ASP A 203
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
ADE  A 302 (-3.2A)
ADE  A 302 (-2.9A)
 0.86A 4da6A-5dk6A:
23.1		 4da6A-5dk6A:
25.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DA7_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		7 / 10 ARG A  87
GLY A 176
ALA A 156
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 1.30A 4da7A-4daoA:
42.4		 4da7A-4daoA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DA7_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		10 / 10 MET A  64
ARG A  87
GLY A  92
ALA A 156
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
VAL A 205
 None
None
ADE  A 301 (-3.5A)
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.3A)
 0.39A 4da7A-4daoA:
42.4		 4da7A-4daoA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DA7_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		5 / 10 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
 0.43A 4da7A-4josA:
24.2		 4da7A-4josA:
26.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DA7_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 10 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
 0.45A 4da7A-4jwtA:
23.5		 4da7A-4jwtA:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DA7_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		5 / 10 GLY A  81
VAL A 178
MET A 180
GLU A 181
SER A 203
 ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
 0.47A 4da7A-4l0mA:
23.1		 4da7A-4l0mA:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DA7_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		5 / 10 GLY A  67
VAL A 142
MET A 144
GLU A 145
SER A 167
 ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
 0.57A 4da7A-4pr3A:
15.0		 4da7A-4pr3A:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DA7_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		6 / 10 GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
SER B 197
 ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
 0.66A 4da7A-4qezB:
23.5		 4da7A-4qezB:
24.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DA7_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		6 / 10 GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
 ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
 0.51A 4da7A-5dk6A:
23.6		 4da7A-5dk6A:
25.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DAN_A_2FAA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 11 ARG A  87
GLY A 176
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 1.35A 4danA-4daoA:
42.6		 4danA-4daoA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DAN_A_2FAA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		11 / 11 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
VAL A 205
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
ADE  A 301 (-4.3A)
 0.50A 4danA-4daoA:
42.6		 4danA-4daoA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DAN_A_2FAA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		6 / 11 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
ADE  A 301 (-2.8A)
 0.76A 4danA-4josA:
13.3		 4danA-4josA:
26.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DAN_A_2FAA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 11 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
 0.42A 4danA-4jwtA:
23.0		 4danA-4jwtA:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DAN_A_2FAA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		7 / 11 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
SER A 203
ASP A 204
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
ADE  A 301 (-3.0A)
 0.80A 4danA-4l0mA:
22.7		 4danA-4l0mA:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DAN_A_2FAA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		6 / 11 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
SER A 167
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
 0.58A 4danA-4pr3A:
9.9		 4danA-4pr3A:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DAN_A_2FAA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		8 / 11 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
SER B 197
ASP B 198
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
ADE  B 301 (-2.4A)
 0.78A 4danA-4qezB:
23.0		 4danA-4qezB:
24.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DAN_A_2FAA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		8 / 11 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
ADE  A 302 (-2.9A)
 0.75A 4danA-5dk6A:
23.0		 4danA-5dk6A:
25.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DAN_B_2FAB301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		6 / 12 ARG A  87
GLY A 176
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 1.33A 4danA-4daoA:
42.6
4danB-4daoA:
42.3		 4danA-4daoA:
100.00
4danB-4daoA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DAN_B_2FAB301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		10 / 12 ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
VAL A 205
 None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
ADE  A 301 (-4.3A)
 0.56A 4danA-4daoA:
42.6
4danB-4daoA:
42.3		 4danA-4daoA:
100.00
4danB-4daoA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DAN_B_2FAB301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		6 / 12 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
ADE  A 301 (-2.8A)
 0.76A 4danA-4josA:
13.3
4danB-4josA:
23.9		 4danA-4josA:
26.47
4danB-4josA:
26.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DAN_B_2FAB301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		6 / 12 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
ADE  A 305 (-2.8A)
 0.76A 4danA-4jwtA:
23.0
4danB-4jwtA:
23.2		 4danA-4jwtA:
27.46
4danB-4jwtA:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DAN_B_2FAB301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		7 / 12 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
SER A 203
ASP A 204
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
ADE  A 301 (-3.0A)
 0.76A 4danA-4l0mA:
22.7
4danB-4l0mA:
22.9		 4danA-4l0mA:
27.46
4danB-4l0mA:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DAN_B_2FAB301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		5 / 12 GLY A  67
VAL A 142
GLU A 145
SER A 167
ASP A 168
 ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
None
ADE  A 501 (-3.5A)
ADE  A 501 (-2.8A)
 0.96A 4danA-4pr3A:
9.9
4danB-4pr3A:
14.9		 4danA-4pr3A:
23.70
4danB-4pr3A:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DAN_B_2FAB301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		6 / 12 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
SER A 167
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
 0.61A 4danA-4pr3A:
9.9
4danB-4pr3A:
14.9		 4danA-4pr3A:
23.70
4danB-4pr3A:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DAN_B_2FAB301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		8 / 12 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
SER B 197
ASP B 198
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
ADE  B 301 (-2.4A)
 0.77A 4danA-4qezB:
23.0
4danB-4qezB:
23.2		 4danA-4qezB:
24.30
4danB-4qezB:
24.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DAN_B_2FAB301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		8 / 12 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
ADE  A 302 (-2.9A)
 0.72A 4danA-5dk6A:
23.0
4danB-5dk6A:
23.3		 4danA-5dk6A:
25.61
4danB-5dk6A:
25.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1002_0
(BLUE COPPER OXIDASE
CUEO)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		4 / 4 HIS A  16
HIS A  18
HIS A 220
HIS A 196
 ZN  A 327 (-3.4A)
ADE  A 328 ( 3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 3.5A)
 0.94A 4ef3A-3paoA:
undetectable		 4ef3A-3paoA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1002_0
(BLUE COPPER OXIDASE
CUEO)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		4 / 4 HIS A  19
HIS A  21
HIS A 223
HIS A 199
 ZN  A 344 (-3.5A)
ADE  A 345 ( 3.2A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 3.4A)
 0.93A 4ef3A-3rysA:
undetectable		 4ef3A-3rysA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ENH_A_FVXA602_1
(CHOLESTEROL
24-HYDROXYLASE)		 3ku0 RIBOSOME-INACTIVATIN
G PROTEIN GELONIN
(Suregada
multiflora) 		5 / 12 LEU A 157
ILE A 161
ILE A  66
ALA A  67
ALA A  90
 None
ADE  A 800 (-4.0A)
None
None
None
 1.08A 4enhA-3ku0A:
undetectable		 4enhA-3ku0A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
LYS A 217
THR A 265
GLY A 271
LEU A 328
ASP A 339
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.65A 4hjoA-2qluA:
24.9		 4hjoA-2qluA:
26.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		8 / 12 VAL A 204
ALA A 215
LYS A 217
LEU A 263
GLY A 271
ASP A 275
LEU A 328
ASP A 339
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
None
ADE  A 488 ( 4.1A)
None
ADE  A 488 (-4.4A)
None
 0.59A 4i22A-2qluA:
24.1		 4i22A-2qluA:
24.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JTP_A_ASCA802_0
(RRNA N-GLYCOSIDASE)		 1aha ALPHA-MOMORCHARIN
(Momordica
charantia) 		4 / 5 ILE A  71
ASN A 110
TYR A 111
ILE A 155
 ADE  A 339 (-3.9A)
None
ADE  A 339 ( 3.6A)
ADE  A 339 (-4.1A)
 0.22A 4jtpA-1ahaA:
43.9		 4jtpA-1ahaA:
94.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KTT_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		4 / 8 HIS A  21
ASP A 281
SER A  61
PHE A  62
 ADE  A 345 ( 3.2A)
ADE  A 345 (-2.8A)
None
None
 1.20A 4kttA-3rysA:
undetectable		 4kttA-3rysA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KUK_A_RBFA201_2
(BLUE-LIGHT
PHOTORECEPTOR)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		5 / 9 ARG B  96
LEU B 169
ILE B 192
PHE B  80
GLY B  78
 None
None
None
None
ADE  B 301 (-3.2A)
 1.08A 4kukA-4qezB:
undetectable		 4kukA-4qezB:
22.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LVC_A_ADNA501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.22A 4lvcA-3oneA:
57.8		 4lvcA-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LVC_A_ADNA501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.49A 4lvcA-3oneA:
57.8		 4lvcA-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LVC_A_ADNA501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 GLN A  66
THR A  67
THR A 206
HIS A 350
LEU A 395
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
NAD  A 501 (-4.2A)
 0.34A 4lvcA-3oneA:
57.8		 4lvcA-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LVC_B_ADNB501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
HIS A 350
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
None
 1.27A 4lvcB-3oneA:
57.6		 4lvcB-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LVC_B_ADNB501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
HIS A 350
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
None
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.47A 4lvcB-3oneA:
57.6		 4lvcB-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LVC_B_ADNB501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 GLN A  66
THR A  67
THR A 206
LEU A 395
LEU A 398
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
 0.33A 4lvcB-3oneA:
57.6		 4lvcB-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LVC_C_ADNC501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.24A 4lvcC-3oneA:
57.8		 4lvcC-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LVC_C_ADNC501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.46A 4lvcC-3oneA:
57.8		 4lvcC-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LVC_C_ADNC501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 GLN A  66
THR A  67
THR A 206
HIS A 350
LEU A 395
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
NAD  A 501 (-4.2A)
 0.34A 4lvcC-3oneA:
57.8		 4lvcC-3oneA:
62.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  16
HIS A 196
ASP A 277
ASP A 278
TYR A  63
 ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
ADE  A 328 (-4.0A)
 1.20A 4lxzA-3paoA:
undetectable		 4lxzA-3paoA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.18A 4lxzA-3rysA:
undetectable		 4lxzA-3rysA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 11 HIS A  16
HIS A 196
ASP A 277
ASP A 278
TYR A  63
 ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
ADE  A 328 (-4.0A)
 1.21A 4lxzB-3paoA:
undetectable		 4lxzB-3paoA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 11 HIS A 104
HIS A  18
ASP A 278
GLY A  21
TYR A  63
 None
ADE  A 328 ( 3.0A)
ADE  A 328 (-2.8A)
None
ADE  A 328 (-4.0A)
 1.40A 4lxzB-3paoA:
undetectable		 4lxzB-3paoA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 11 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.18A 4lxzB-3rysA:
undetectable		 4lxzB-3rysA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  16
HIS A 196
ASP A 277
ASP A 278
TYR A  63
 ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
ADE  A 328 (-4.0A)
 1.20A 4lxzC-3paoA:
undetectable		 4lxzC-3paoA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.18A 4lxzC-3rysA:
undetectable		 4lxzC-3rysA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NDN_C_SAMC405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		4 / 7 HIS A  21
ASP A 281
SER A  61
PHE A  62
 ADE  A 345 ( 3.2A)
ADE  A 345 (-2.8A)
None
None
 1.25A 4ndnC-3rysA:
undetectable		 4ndnC-3rysA:
23.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O0O_A_URFA303_1
(RRNA N-GLYCOSIDASE)		 1aha ALPHA-MOMORCHARIN
(Momordica
charantia) 		5 / 5 TYR A  70
ASN A 110
TYR A 111
ILE A 155
ARG A 163
 ADE  A 339 ( 3.8A)
None
ADE  A 339 ( 3.6A)
ADE  A 339 (-4.1A)
ADE  A 339 ( 2.9A)
 0.52A 4o0oA-1ahaA:
43.7		 4o0oA-1ahaA:
94.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O0O_A_URFA303_1
(RRNA N-GLYCOSIDASE)		 2qes RIBOSOME-INACTIVATIN
G PROTEIN PD-L4
(Phytolacca
dioica) 		4 / 5 TYR A  72
TYR A 122
ILE A 170
ARG A 178
 ADE  A 501 (-3.8A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.0A)
ADE  A 501 (-2.9A)
 0.55A 4o0oA-2qesA:
31.2		 4o0oA-2qesA:
30.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0S_A_ADNA500_1
(AURORA KINASE A)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 11 VAL A 204
ALA A 215
LYS A 217
LEU A 245
ASN A 326
LEU A 328
ASP A 339
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
None
ADE  A 488 (-4.4A)
None
 0.66A 4o0sA-2qluA:
24.5		 4o0sA-2qluA:
26.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0U_A_ADNA501_1
(AURORA KINASE A)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		5 / 6 VAL A 204
ALA A 215
LYS A 217
LEU A 245
LEU A 328
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.4A)
 0.65A 4o0uA-2qluA:
7.3		 4o0uA-2qluA:
25.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ODJ_A_SAMA500_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		4 / 7 HIS A  21
ASP A 281
SER A  61
PHE A  62
 ADE  A 345 ( 3.2A)
ADE  A 345 (-2.8A)
None
None
 1.16A 4odjA-3rysA:
undetectable		 4odjA-3rysA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OGR_A_ADNA401_1
(CYCLIN-DEPENDENT
KINASE 9)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 8 GLY A 199
VAL A 204
ALA A 215
ASN A 326
LEU A 328
ASP A 339
 None
ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.4A)
None
 0.77A 4ogrA-2qluA:
26.4		 4ogrA-2qluA:
27.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OGR_I_ADNI401_1
(CYCLIN-DEPENDENT
KINASE 9)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 9 GLY A 199
VAL A 204
ALA A 215
ASN A 326
LEU A 328
ASP A 339
 None
ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.4A)
None
 0.74A 4ogrI-2qluA:
26.8		 4ogrI-2qluA:
27.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OTW_A_DB8A1101_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
LYS A 217
THR A 265
GLY A 271
LEU A 328
ALA A 338
ASP A 339
 ADE  A 488 ( 4.9A)
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
None
 0.62A 4otwA-2qluA:
24.3		 4otwA-2qluA:
24.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PB1_A_RBVA501_1
(NUPC FAMILY PROTEIN)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		5 / 12 GLY A  67
ALA A  66
LEU A 122
ASN A 127
ILE A 137
 ADE  A 501 (-3.7A)
ADE  A 501 (-4.9A)
None
None
PO4  A 502 (-3.4A)
 1.12A 4pb1A-4pr3A:
undetectable		 4pb1A-4pr3A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		5 / 12 GLY A  67
ALA A  66
LEU A 122
ASN A 127
ILE A 137
 ADE  A 501 (-3.7A)
ADE  A 501 (-4.9A)
None
None
PO4  A 502 (-3.4A)
 1.18A 4pd5A-4pr3A:
undetectable		 4pd5A-4pr3A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD9_A_ADNA501_1
(NUPC FAMILY PROTEIN)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		5 / 12 GLY A  67
ALA A  66
LEU A 122
ASN A 127
ILE A 137
 ADE  A 501 (-3.7A)
ADE  A 501 (-4.9A)
None
None
PO4  A 502 (-3.4A)
 1.12A 4pd9A-4pr3A:
undetectable		 4pd9A-4pr3A:
20.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PFJ_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.46A 4pfjA-3oneA:
29.9		 4pfjA-3oneA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PFJ_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.55A 4pfjA-3oneA:
29.9		 4pfjA-3oneA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PFJ_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 7 THR A  67
THR A 206
HIS A 350
LEU A 395
ASN A 397
SER A 412
 ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
NAD  A 501 (-4.2A)
NAD  A 501 (-3.0A)
None
 0.44A 4pfjA-3oneA:
29.9		 4pfjA-3oneA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PFJ_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.63A 4pfjB-3oneA:
55.4		 4pfjB-3oneA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PFJ_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 6 THR A  67
GLN A  92
THR A 206
HIS A 350
ASN A 397
 ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
None
NAD  A 501 (-3.0A)
 0.50A 4pfjB-3oneA:
55.4		 4pfjB-3oneA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PGF_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
ASN A 397
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
NAD  A 501 (-3.0A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.59A 4pgfA-3oneA:
55.5		 4pgfA-3oneA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PGF_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 6 THR A  64
THR A  67
THR A 206
HIS A 350
LEU A 398
 ADE  A 506 (-2.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
ADE  A 506 ( 4.7A)
 0.22A 4pgfA-3oneA:
55.5		 4pgfA-3oneA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PGF_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
LEU A 395
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 (-4.2A)
 1.48A 4pgfB-3oneA:
54.7		 4pgfB-3oneA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PGF_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		9 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
LEU A 395
LEU A 398
GLY A 403
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.72A 4pgfB-3oneA:
54.7		 4pgfB-3oneA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PGF_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		10 / 12 HIS A  62
GLU A 205
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.41A 4pgfB-3oneA:
54.7		 4pgfB-3oneA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PGF_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 THR A  64
THR A  67
THR A 206
HIS A 350
ASN A 397
 ADE  A 506 (-2.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
NAD  A 501 (-3.0A)
 0.32A 4pgfB-3oneA:
54.7		 4pgfB-3oneA:
55.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  16
HIS A 196
ASP A 277
ASP A 278
TYR A  63
 ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
ADE  A 328 (-4.0A)
 1.29A 4qa0A-3paoA:
undetectable		 4qa0A-3paoA:
24.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.27A 4qa0A-3rysA:
undetectable		 4qa0A-3rysA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 11 HIS A  16
HIS A 196
ASP A 277
ASP A 278
TYR A  63
 ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
ADE  A 328 (-4.0A)
 1.28A 4qa0B-3paoA:
undetectable		 4qa0B-3paoA:
24.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 11 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.26A 4qa0B-3rysA:
undetectable		 4qa0B-3rysA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  16
HIS A 196
ASP A 277
ASP A 278
TYR A  63
 ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
ADE  A 328 (-4.0A)
 1.28A 4qa2A-3paoA:
undetectable		 4qa2A-3paoA:
24.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.27A 4qa2A-3rysA:
undetectable		 4qa2A-3rysA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.29A 4qa2B-3rysA:
undetectable		 4qa2B-3rysA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
LYS A 217
GLU A 230
THR A 265
LEU A 328
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.4A)
 0.67A 4r7iA-2qluA:
24.6		 4r7iA-2qluA:
26.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		6 / 12 HIS A  18
LEU A  56
HIS A 196
HIS A 220
LEU A 251
ASP A 277
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
ADE  A 328 ( 4.2A)
None
ZN  A 327 ( 2.6A)
 0.36A 4r88A-3paoA:
23.4		 4r88A-3paoA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  18
LEU A  56
HIS A 196
LEU A 251
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
None
ADE  A 328 (-2.8A)
 1.46A 4r88A-3paoA:
23.4		 4r88A-3paoA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  18
LEU A 251
HIS A 196
HIS A 220
ASP A 277
 ADE  A 328 ( 3.0A)
None
ZN  A 327 ( 3.5A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
 1.35A 4r88A-3paoA:
23.4		 4r88A-3paoA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		6 / 12 HIS A  21
LEU A  59
HIS A 199
HIS A 223
LEU A 254
ASP A 280
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
ADE  A 345 ( 4.2A)
None
ZN  A 344 ( 2.5A)
 0.39A 4r88A-3rysA:
23.8		 4r88A-3rysA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  21
LEU A  59
HIS A 199
LEU A 254
ASP A 281
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
None
ADE  A 345 (-2.8A)
 1.41A 4r88A-3rysA:
23.8		 4r88A-3rysA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		6 / 12 HIS A  18
LEU A  56
HIS A 196
GLU A 199
LEU A 251
ASP A 277
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
None
ZN  A 327 ( 2.6A)
 0.32A 4r88B-3paoA:
23.5		 4r88B-3paoA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  18
LEU A  56
HIS A 196
LEU A 251
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
None
ADE  A 328 (-2.8A)
 1.48A 4r88B-3paoA:
23.5		 4r88B-3paoA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  18
PHE A  98
HIS A  16
LEU A  56
ASP A 278
 ADE  A 328 ( 3.0A)
None
ZN  A 327 (-3.4A)
ADE  A 328 (-4.6A)
ADE  A 328 (-2.8A)
 1.48A 4r88B-3paoA:
23.5		 4r88B-3paoA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		6 / 12 HIS A  21
LEU A  59
HIS A 199
GLU A 202
LEU A 254
ASP A 280
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
None
ZN  A 344 ( 2.5A)
 0.36A 4r88B-3rysA:
23.9		 4r88B-3rysA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  21
LEU A  59
HIS A 199
LEU A 254
ASP A 281
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
None
ADE  A 345 (-2.8A)
 1.43A 4r88B-3rysA:
23.9		 4r88B-3rysA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_C_1LDC501_0
(CYTOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		6 / 12 HIS A  18
LEU A  56
HIS A 196
GLU A 199
LEU A 251
ASP A 277
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
None
ZN  A 327 ( 2.6A)
 0.34A 4r88C-3paoA:
23.5		 4r88C-3paoA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_C_1LDC501_0
(CYTOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  18
LEU A  56
HIS A 196
LEU A 251
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
None
ADE  A 328 (-2.8A)
 1.48A 4r88C-3paoA:
23.5		 4r88C-3paoA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_C_1LDC501_0
(CYTOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  18
PHE A  98
HIS A  16
LEU A  56
ASP A 278
 ADE  A 328 ( 3.0A)
None
ZN  A 327 (-3.4A)
ADE  A 328 (-4.6A)
ADE  A 328 (-2.8A)
 1.48A 4r88C-3paoA:
23.5		 4r88C-3paoA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_C_1LDC501_0
(CYTOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		6 / 12 HIS A  21
LEU A  59
HIS A 199
GLU A 202
LEU A 254
ASP A 280
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
None
ZN  A 344 ( 2.5A)
 0.38A 4r88C-3rysA:
23.8		 4r88C-3rysA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_C_1LDC501_0
(CYTOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  21
LEU A  59
HIS A 199
LEU A 254
ASP A 281
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
None
ADE  A 345 (-2.8A)
 1.43A 4r88C-3rysA:
23.8		 4r88C-3rysA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_D_1LDD501_0
(CYTOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		6 / 12 HIS A  18
LEU A  56
HIS A 196
GLU A 199
LEU A 251
ASP A 277
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
None
ZN  A 327 ( 2.6A)
 0.31A 4r88D-3paoA:
22.2		 4r88D-3paoA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_D_1LDD501_0
(CYTOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  18
LEU A  56
HIS A 196
LEU A 251
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
None
ADE  A 328 (-2.8A)
 1.47A 4r88D-3paoA:
22.2		 4r88D-3paoA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_D_1LDD501_0
(CYTOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		6 / 12 HIS A  21
LEU A  59
HIS A 199
GLU A 202
LEU A 254
ASP A 280
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
None
ZN  A 344 ( 2.5A)
 0.37A 4r88D-3rysA:
23.7		 4r88D-3rysA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_D_1LDD501_0
(CYTOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  21
LEU A  59
HIS A 199
LEU A 254
ASP A 281
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
None
ADE  A 345 (-2.8A)
 1.42A 4r88D-3rysA:
23.7		 4r88D-3rysA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_E_1LDE501_0
(CYTOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		6 / 12 HIS A  18
LEU A  56
HIS A 196
GLU A 199
LEU A 251
ASP A 277
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
None
ZN  A 327 ( 2.6A)
 0.34A 4r88E-3paoA:
23.5		 4r88E-3paoA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_E_1LDE501_0
(CYTOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  18
LEU A  56
HIS A 196
LEU A 251
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
None
ADE  A 328 (-2.8A)
 1.48A 4r88E-3paoA:
23.5		 4r88E-3paoA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_E_1LDE501_0
(CYTOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  18
PHE A  98
HIS A  16
LEU A  56
ASP A 278
 ADE  A 328 ( 3.0A)
None
ZN  A 327 (-3.4A)
ADE  A 328 (-4.6A)
ADE  A 328 (-2.8A)
 1.48A 4r88E-3paoA:
23.5		 4r88E-3paoA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_E_1LDE501_0
(CYTOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		6 / 12 HIS A  21
LEU A  59
HIS A 199
GLU A 202
LEU A 254
ASP A 280
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
None
ZN  A 344 ( 2.5A)
 0.39A 4r88E-3rysA:
23.9		 4r88E-3rysA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_E_1LDE501_0
(CYTOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  21
LEU A  59
HIS A 199
LEU A 254
ASP A 281
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
None
ADE  A 345 (-2.8A)
 1.44A 4r88E-3rysA:
23.9		 4r88E-3rysA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_F_1LDF502_0
(CYTOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		6 / 12 HIS A  18
LEU A  56
HIS A 196
GLU A 199
LEU A 251
ASP A 277
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
None
ZN  A 327 ( 2.6A)
 0.30A 4r88F-3paoA:
23.6		 4r88F-3paoA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_F_1LDF502_0
(CYTOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  18
LEU A  56
HIS A 196
LEU A 251
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
None
ADE  A 328 (-2.8A)
 1.47A 4r88F-3paoA:
23.6		 4r88F-3paoA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_F_1LDF502_0
(CYTOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  18
PHE A  98
HIS A  16
LEU A  56
ASP A 278
 ADE  A 328 ( 3.0A)
None
ZN  A 327 (-3.4A)
ADE  A 328 (-4.6A)
ADE  A 328 (-2.8A)
 1.46A 4r88F-3paoA:
23.6		 4r88F-3paoA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_F_1LDF502_0
(CYTOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		6 / 12 HIS A  21
LEU A  59
HIS A 199
GLU A 202
LEU A 254
ASP A 280
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
None
ZN  A 344 ( 2.5A)
 0.34A 4r88F-3rysA:
24.0		 4r88F-3rysA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_F_1LDF502_0
(CYTOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  21
LEU A  59
HIS A 199
LEU A 254
ASP A 281
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
None
ADE  A 345 (-2.8A)
 1.42A 4r88F-3rysA:
24.0		 4r88F-3rysA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
LYS A 217
LEU A 245
THR A 265
SER A 272
PHE A 340
 ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
None
None
 0.86A 4rzvA-2qluA:
6.8		 4rzvA-2qluA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
LYS A 217
LEU A 245
THR A 265
PHE A 340
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
None
 0.85A 4rzvB-2qluA:
25.8		 4rzvB-2qluA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
LYS A 217
LEU A 245
THR A 265
SER A 272
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
None
 0.61A 4rzvB-2qluA:
25.8		 4rzvB-2qluA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		5 / 12 VAL A 204
ALA A 215
LYS A 217
SER A 272
GLY A 341
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
None
None
 0.83A 4rzvB-2qluA:
25.8		 4rzvB-2qluA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
LYS A 217
THR A 265
GLY A 271
HIS A 319
LEU A 328
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
None
ADE  A 488 (-4.4A)
 0.47A 4u0iA-2qluA:
25.1		 4u0iA-2qluA:
25.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V04_A_0LIA1772_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
GLU A 230
LEU A 301
HIS A 319
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
None
None
None
 0.95A 4v04A-2qluA:
24.2		 4v04A-2qluA:
26.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V04_B_0LIB1771_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		5 / 12 ALA A 215
GLU A 230
LEU A 301
HIS A 319
ALA A 338
 ADE  A 488 (-3.2A)
None
None
None
None
 0.90A 4v04B-2qluA:
24.4		 4v04B-2qluA:
26.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		 2qes RIBOSOME-INACTIVATIN
G PROTEIN PD-L4
(Phytolacca
dioica) 		3 / 3 GLU A 175
ALA A 176
PHE A 179
 ADE  A 501 ( 4.7A)
None
None
 0.63A 4v1fA-2qesA:
undetectable		 4v1fA-2qesA:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		 3ku0 RIBOSOME-INACTIVATIN
G PROTEIN GELONIN
(Suregada
multiflora) 		3 / 3 GLU A 166
ALA A 167
PHE A 170
 ADE  A 800 ( 4.5A)
None
None
 0.65A 4v1fA-3ku0A:
undetectable		 4v1fA-3ku0A:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V1F_C_BQ1C1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		 2qes RIBOSOME-INACTIVATIN
G PROTEIN PD-L4
(Phytolacca
dioica) 		3 / 3 GLU A 175
ALA A 176
PHE A 179
 ADE  A 501 ( 4.7A)
None
None
 0.60A 4v1fC-2qesA:
undetectable		 4v1fC-2qesA:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V1F_C_BQ1C1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		 3ku0 RIBOSOME-INACTIVATIN
G PROTEIN GELONIN
(Suregada
multiflora) 		3 / 3 GLU A 166
ALA A 167
PHE A 170
 ADE  A 800 ( 4.5A)
None
None
 0.62A 4v1fC-3ku0A:
undetectable		 4v1fC-3ku0A:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V2G_B_CTCB222_0
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 2ics ADENINE DEAMINASE
(Enterococcus
faecalis) 		5 / 12 HIS A 211
THR A 160
VAL A 161
GLN A 125
ILE A 122
 ZN  A 401 (-3.4A)
ADE  A1114 ( 4.3A)
None
ADE  A1114 (-3.3A)
None
 1.21A 4v2gB-2icsA:
0.3		 4v2gB-2icsA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WA9_A_AXIA9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 11 ALA A 215
THR A 265
GLY A 271
ASN A 326
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
None
ADE  A 488 (-4.4A)
None
 0.58A 4wa9A-2qluA:
23.6		 4wa9A-2qluA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WA9_B_AXIB9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
LYS A 217
THR A 265
PHE A 267
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.4A)
None
 0.96A 4wa9B-2qluA:
26.2		 4wa9B-2qluA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WA9_B_AXIB9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		8 / 12 VAL A 204
ALA A 215
THR A 265
PHE A 267
GLY A 271
ASN A 326
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
None
ADE  A 488 (-4.4A)
None
 0.74A 4wa9B-2qluA:
26.2		 4wa9B-2qluA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WKQ_A_IREA1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 ALA A 215
LYS A 217
GLU A 230
LEU A 263
GLY A 271
ASP A 275
LEU A 328
 ADE  A 488 (-3.2A)
None
None
None
ADE  A 488 ( 4.1A)
None
ADE  A 488 (-4.4A)
 0.69A 4wkqA-2qluA:
26.8		 4wkqA-2qluA:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WKQ_A_IREA1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
LYS A 217
THR A 265
GLY A 271
ASP A 275
LEU A 328
 ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
None
ADE  A 488 (-4.4A)
 0.52A 4wkqA-2qluA:
26.8		 4wkqA-2qluA:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XEY_A_1N1A601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		8 / 12 VAL A 204
ALA A 215
LYS A 217
THR A 265
PHE A 267
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.56A 4xeyA-2qluA:
26.7		 4xeyA-2qluA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XEY_B_1N1B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		8 / 12 VAL A 204
ALA A 215
LYS A 217
THR A 265
PHE A 267
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.58A 4xeyB-2qluA:
26.5		 4xeyB-2qluA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XLI_B_1N1B600_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 ALA A 215
LYS A 217
GLU A 230
THR A 265
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
None
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.60A 4xliB-2qluA:
27.3		 4xliB-2qluA:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XV2_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
LYS A 217
LEU A 245
THR A 265
ASP A 339
PHE A 340
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
None
None
 0.85A 4xv2A-2qluA:
25.3		 4xv2A-2qluA:
27.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XV2_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
LYS A 217
LEU A 245
THR A 265
ASP A 339
PHE A 340
 ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
None
None
 0.87A 4xv2B-2qluA:
25.6		 4xv2B-2qluA:
27.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YP2_B_NCAB302_0
(RIBOSOME-INACTIVATIN
G PROTEIN MOMORDIN I)		 1aha ALPHA-MOMORCHARIN
(Momordica
charantia) 		9 / 9 TYR A  70
ILE A  71
PHE A  83
GLY A 109
TYR A 111
ILE A 155
ALA A 159
GLU A 160
ARG A 163
 ADE  A 339 ( 3.8A)
ADE  A 339 (-3.9A)
ADE  A 339 ( 4.8A)
ADE  A 339 (-4.1A)
ADE  A 339 ( 3.6A)
ADE  A 339 (-4.1A)
ADE  A 339 ( 3.7A)
ADE  A 339 (-4.5A)
ADE  A 339 ( 2.9A)
 0.29A 4yp2B-1ahaA:
43.8		 4yp2B-1ahaA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YP2_B_NCAB302_0
(RIBOSOME-INACTIVATIN
G PROTEIN MOMORDIN I)		 2qes RIBOSOME-INACTIVATIN
G PROTEIN PD-L4
(Phytolacca
dioica) 		6 / 9 TYR A  72
PHE A  89
TYR A 122
ILE A 170
GLU A 175
ARG A 178
 ADE  A 501 (-3.8A)
ADE  A 501 ( 4.9A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.0A)
ADE  A 501 ( 4.7A)
ADE  A 501 (-2.9A)
 0.24A 4yp2B-2qesA:
31.2		 4yp2B-2qesA:
31.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YP2_B_NCAB302_0
(RIBOSOME-INACTIVATIN
G PROTEIN MOMORDIN I)		 3ku0 RIBOSOME-INACTIVATIN
G PROTEIN GELONIN
(Suregada
multiflora) 		6 / 9 PHE A  87
GLY A 111
TYR A 113
ILE A 161
GLU A 166
ARG A 169
 ADE  A 800 (-4.6A)
ADE  A 800 (-4.1A)
ADE  A 800 (-3.5A)
ADE  A 800 (-4.0A)
ADE  A 800 ( 4.5A)
ADE  A 800 (-2.7A)
 0.23A 4yp2B-3ku0A:
33.9		 4yp2B-3ku0A:
34.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A1I_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		4 / 7 HIS A  21
ASP A 281
SER A  61
PHE A  62
 ADE  A 345 ( 3.2A)
ADE  A 345 (-2.8A)
None
None
 1.21A 5a1iA-3rysA:
undetectable		 5a1iA-3rysA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AJQ_B_DB8B800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		5 / 10 ALA A 215
GLY A 271
LEU A 328
ALA A 338
ASP A 339
 ADE  A 488 (-3.2A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
None
 0.54A 5ajqB-2qluA:
22.5		 5ajqB-2qluA:
24.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AJQ_B_DB8B800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		5 / 10 ALA A 215
PHE A 267
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.54A 5ajqB-2qluA:
22.5		 5ajqB-2qluA:
24.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AXA_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.41A 5axaA-3oneA:
55.7		 5axaA-3oneA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AXA_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.49A 5axaA-3oneA:
55.7		 5axaA-3oneA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AXA_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.41A 5axaC-3oneA:
55.6		 5axaC-3oneA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AXA_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.50A 5axaC-3oneA:
55.6		 5axaC-3oneA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AXD_A_RBVA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.28A 5axdA-3oneA:
55.7		 5axdA-3oneA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AXD_A_RBVA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		11 / 12 HIS A  62
THR A  64
ASP A 139
GLU A 205
THR A 206
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
 0.22A 5axdA-3oneA:
55.7		 5axdA-3oneA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AXD_A_RBVA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
THR A 206
ASP A 239
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
 1.31A 5axdA-3oneA:
55.7		 5axdA-3oneA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AXD_C_RBVC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.29A 5axdC-3oneA:
55.7		 5axdC-3oneA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AXD_C_RBVC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		11 / 12 HIS A  62
THR A  64
ASP A 139
GLU A 205
THR A 206
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
 0.20A 5axdC-3oneA:
55.7		 5axdC-3oneA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AXD_C_RBVC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
THR A 206
ASP A 239
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
 1.32A 5axdC-3oneA:
55.7		 5axdC-3oneA:
56.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BVW_A_1N1A1009_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		8 / 12 VAL A 204
ALA A 215
LYS A 217
GLU A 230
THR A 265
GLY A 271
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.82A 5bvwA-2qluA:
24.5		 5bvwA-2qluA:
24.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CF9_B_NCAB302_0
(RIBOSOME-INACTIVATIN
G PROTEIN MOMORDIN I)		 1aha ALPHA-MOMORCHARIN
(Momordica
charantia) 		9 / 9 TYR A  70
ILE A  71
PHE A  83
GLY A 109
TYR A 111
ILE A 155
ALA A 159
GLU A 160
ARG A 163
 ADE  A 339 ( 3.8A)
ADE  A 339 (-3.9A)
ADE  A 339 ( 4.8A)
ADE  A 339 (-4.1A)
ADE  A 339 ( 3.6A)
ADE  A 339 (-4.1A)
ADE  A 339 ( 3.7A)
ADE  A 339 (-4.5A)
ADE  A 339 ( 2.9A)
 0.24A 5cf9B-1ahaA:
44.0		 5cf9B-1ahaA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CF9_B_NCAB302_0
(RIBOSOME-INACTIVATIN
G PROTEIN MOMORDIN I)		 2qes RIBOSOME-INACTIVATIN
G PROTEIN PD-L4
(Phytolacca
dioica) 		6 / 9 TYR A  72
PHE A  89
TYR A 122
ILE A 170
GLU A 175
ARG A 178
 ADE  A 501 (-3.8A)
ADE  A 501 ( 4.9A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.0A)
ADE  A 501 ( 4.7A)
ADE  A 501 (-2.9A)
 0.24A 5cf9B-2qesA:
31.3		 5cf9B-2qesA:
31.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CF9_B_NCAB302_0
(RIBOSOME-INACTIVATIN
G PROTEIN MOMORDIN I)		 3ku0 RIBOSOME-INACTIVATIN
G PROTEIN GELONIN
(Suregada
multiflora) 		6 / 9 PHE A  87
GLY A 111
TYR A 113
ILE A 161
GLU A 166
ARG A 169
 ADE  A 800 (-4.6A)
ADE  A 800 (-4.1A)
ADE  A 800 (-3.5A)
ADE  A 800 (-4.0A)
ADE  A 800 ( 4.5A)
ADE  A 800 (-2.7A)
 0.21A 5cf9B-3ku0A:
34.1		 5cf9B-3ku0A:
34.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSW_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
LYS A 217
LEU A 245
THR A 265
PHE A 340
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
None
 0.81A 5cswA-2qluA:
25.3		 5cswA-2qluA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSW_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
LYS A 217
LEU A 245
THR A 265
PHE A 340
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
None
 0.88A 5cswB-2qluA:
25.0		 5cswB-2qluA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  16
HIS A 196
ASP A 277
ASP A 278
TYR A  63
 ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
ADE  A 328 (-4.0A)
 1.28A 5eeiA-3paoA:
undetectable		 5eeiA-3paoA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.25A 5eeiA-3rysA:
undetectable		 5eeiA-3rysA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  16
HIS A 196
ASP A 277
ASP A 278
TYR A  63
 ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
ADE  A 328 (-4.0A)
 1.27A 5eeiB-3paoA:
undetectable		 5eeiB-3paoA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.24A 5eeiB-3rysA:
undetectable		 5eeiB-3rysA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.29A 5eenA-3rysA:
undetectable		 5eenA-3rysA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.28A 5eenB-3rysA:
undetectable		 5eenB-3rysA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  19
HIS A 199
ASP A 280
LEU A  63
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
None
ADE  A 345 (-4.0A)
 1.25A 5eenB-3rysA:
undetectable		 5eenB-3rysA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 ASP A 106
HIS A  16
HIS A 196
ASP A 277
ASP A 278
 None
ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 1.44A 5ef8A-3paoA:
undetectable		 5ef8A-3paoA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.32A 5ef8A-3rysA:
undetectable		 5ef8A-3rysA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF8_B_LBHB2004_1
(HDAC6 PROTEIN)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 ASP A 106
HIS A  16
HIS A 196
ASP A 277
ASP A 278
 None
ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 1.46A 5ef8B-3paoA:
undetectable		 5ef8B-3paoA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF8_B_LBHB2004_1
(HDAC6 PROTEIN)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.34A 5ef8B-3rysA:
undetectable		 5ef8B-3rysA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF8_B_LBHB2004_1
(HDAC6 PROTEIN)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  19
HIS A 199
ASP A 280
LEU A  63
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
None
ADE  A 345 (-4.0A)
 1.34A 5ef8B-3rysA:
undetectable		 5ef8B-3rysA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_B_1N1B501_1
(PROTEIN-TYROSINE
KINASE 6)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
LEU A 245
THR A 265
GLY A 271
LEU A 328
ASP A 339
 ADE  A 488 (-3.2A)
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.58A 5h2uB-2qluA:
24.8		 5h2uB-2qluA:
25.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_B_1N1B501_1
(PROTEIN-TYROSINE
KINASE 6)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
THR A 265
GLY A 271
LEU A 328
ASP A 339
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.73A 5h2uB-2qluA:
24.8		 5h2uB-2qluA:
25.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_C_1N1C501_1
(PROTEIN-TYROSINE
KINASE 6)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
LEU A 245
THR A 265
GLY A 271
LEU A 328
ASP A 339
 ADE  A 488 (-3.2A)
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.62A 5h2uC-2qluA:
24.6		 5h2uC-2qluA:
25.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_D_1N1D504_1
(PROTEIN-TYROSINE
KINASE 6)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
LEU A 245
THR A 265
GLY A 271
LEU A 328
ASP A 339
 ADE  A 488 (-3.2A)
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
 0.58A 5h2uD-2qluA:
24.7		 5h2uD-2qluA:
25.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
THR A 265
ASP A 275
PHE A 340
GLY A 341
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
ADE  A 488 (-4.3A)
None
None
None
 1.10A 5hesA-2qluA:
8.7		 5hesA-2qluA:
29.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
LYS A 217
THR A 265
ASP A 275
GLY A 341
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
None
None
 0.88A 5hesB-2qluA:
24.6		 5hesB-2qluA:
29.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
LYS A 217
THR A 265
ASP A 275
PHE A 340
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
None
None
 0.84A 5hesB-2qluA:
24.6		 5hesB-2qluA:
29.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI2_A_BAXA801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
LYS A 217
GLU A 230
LEU A 245
THR A 265
LEU A 301
 ADE  A 488 (-3.2A)
None
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
None
 0.84A 5hi2A-2qluA:
25.5		 5hi2A-2qluA:
27.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI2_A_BAXA801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
LYS A 217
LEU A 245
THR A 265
LEU A 301
HIS A 319
 ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
None
None
 0.73A 5hi2A-2qluA:
25.5		 5hi2A-2qluA:
27.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 GLY A 199
VAL A 204
ALA A 215
LYS A 217
LEU A 245
THR A 265
 None
ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
 0.61A 5hieA-2qluA:
25.7		 5hieA-2qluA:
28.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 GLY A 199
VAL A 204
ALA A 215
LYS A 217
LEU A 245
THR A 265
 None
ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
 0.61A 5hieB-2qluA:
25.6		 5hieB-2qluA:
28.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_C_P06C801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 GLY A 199
VAL A 204
ALA A 215
LYS A 217
LEU A 245
THR A 265
 None
ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
 0.60A 5hieC-2qluA:
26.1		 5hieC-2qluA:
28.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_C_P06C801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
LYS A 217
LEU A 245
THR A 265
ASP A 339
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
None
 0.58A 5hieC-2qluA:
26.1		 5hieC-2qluA:
28.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_D_P06D801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 GLY A 199
VAL A 204
ALA A 215
LYS A 217
LEU A 245
THR A 265
 None
ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.3A)
 0.61A 5hieD-2qluA:
25.7		 5hieD-2qluA:
28.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.42A 5hm8A-3oneA:
54.9		 5hm8A-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
HIS A 350
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
None
 1.27A 5hm8A-3oneA:
54.9		 5hm8A-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
HIS A 350
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
None
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.52A 5hm8A-3oneA:
54.9		 5hm8A-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 5 THR A  67
GLU A 205
THR A 206
LEU A 395
 ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
 0.29A 5hm8A-3oneA:
54.9		 5hm8A-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_B_ADNB501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.43A 5hm8B-3oneA:
54.9		 5hm8B-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_B_ADNB501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
HIS A 350
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
None
 1.27A 5hm8B-3oneA:
54.9		 5hm8B-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_B_ADNB501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
HIS A 350
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
None
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.52A 5hm8B-3oneA:
54.9		 5hm8B-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_B_ADNB501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 5 THR A  67
GLU A 205
THR A 206
LEU A 395
 ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
 0.29A 5hm8B-3oneA:
54.9		 5hm8B-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_C_ADNC501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.43A 5hm8C-3oneA:
55.5		 5hm8C-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_C_ADNC501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
HIS A 350
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
None
 1.27A 5hm8C-3oneA:
55.5		 5hm8C-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_C_ADNC501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
HIS A 350
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
None
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.52A 5hm8C-3oneA:
55.5		 5hm8C-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_C_ADNC501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 5 THR A  67
GLU A 205
THR A 206
LEU A 395
 ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
 0.29A 5hm8C-3oneA:
55.5		 5hm8C-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_D_ADND501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.42A 5hm8D-3oneA:
55.0		 5hm8D-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_D_ADND501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
HIS A 350
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
None
 1.27A 5hm8D-3oneA:
55.0		 5hm8D-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_D_ADND501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
HIS A 350
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
None
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.52A 5hm8D-3oneA:
55.0		 5hm8D-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_D_ADND501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 5 THR A  67
GLU A 205
THR A 206
LEU A 395
 ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
 0.29A 5hm8D-3oneA:
55.0		 5hm8D-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_E_ADNE501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.42A 5hm8E-3oneA:
55.4		 5hm8E-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_E_ADNE501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
HIS A 350
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
None
 1.27A 5hm8E-3oneA:
55.4		 5hm8E-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_E_ADNE501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
HIS A 350
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
None
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.52A 5hm8E-3oneA:
55.4		 5hm8E-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_E_ADNE501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 5 THR A  67
GLU A 205
THR A 206
LEU A 395
 ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
 0.29A 5hm8E-3oneA:
55.4		 5hm8E-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_F_ADNF501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.42A 5hm8F-3oneA:
55.0		 5hm8F-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_F_ADNF501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
HIS A 350
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
None
 1.27A 5hm8F-3oneA:
55.0		 5hm8F-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_F_ADNF501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
HIS A 350
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
None
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.52A 5hm8F-3oneA:
55.0		 5hm8F-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_F_ADNF501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 5 THR A  67
GLU A 205
THR A 206
LEU A 395
 ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
 0.28A 5hm8F-3oneA:
55.0		 5hm8F-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_G_ADNG501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.42A 5hm8G-3oneA:
54.8		 5hm8G-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_G_ADNG501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
HIS A 350
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
None
 1.27A 5hm8G-3oneA:
54.8		 5hm8G-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_G_ADNG501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
HIS A 350
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
None
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.52A 5hm8G-3oneA:
54.8		 5hm8G-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_G_ADNG501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 5 THR A  67
GLU A 205
THR A 206
LEU A 395
 ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
 0.53A 5hm8G-3oneA:
54.8		 5hm8G-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_H_ADNH501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.43A 5hm8H-3oneA:
55.4		 5hm8H-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_H_ADNH501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
HIS A 350
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
None
 1.27A 5hm8H-3oneA:
55.4		 5hm8H-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_H_ADNH501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
HIS A 350
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
None
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.52A 5hm8H-3oneA:
55.4		 5hm8H-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HM8_H_ADNH501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 5 THR A  67
GLU A 205
THR A 206
LEU A 395
 ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
 0.29A 5hm8H-3oneA:
55.4		 5hm8H-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 9 MET A  64
ARG A  87
SER A  90
GLY A  92
ALA A 156
VAL A 177
MET A 179
GLU A 180
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
None
ADE  A 301 (-4.4A)
ADE  A 301 ( 4.3A)
None
 0.49A 5i3cA-4daoA:
37.1		 5i3cA-4daoA:
53.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		6 / 9 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
ILE A  83
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
None
 1.48A 5i3cA-4l0mA:
23.2		 5i3cA-4l0mA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		5 / 9 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
 0.34A 5i3cA-4pr3A:
8.8		 5i3cA-4pr3A:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		5 / 9 SER B  76
GLY B  78
VAL B 172
MET B 174
GLU B 175
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
 0.38A 5i3cA-4qezB:
23.1		 5i3cA-4qezB:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		5 / 9 SER A  76
GLY A  78
VAL A 177
MET A 179
GLU A 180
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
ADE  A 302 (-4.1A)
None
 0.32A 5i3cA-5dk6A:
24.1		 5i3cA-5dk6A:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		8 / 10 MET A  64
SER A  90
GLY A  92
ALA A 156
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 0.46A 5i3cB-4daoA:
37.2		 5i3cB-4daoA:
53.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		5 / 10 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
 0.27A 5i3cB-4l0mA:
23.5		 5i3cB-4l0mA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		5 / 10 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
 0.32A 5i3cB-4pr3A:
9.5		 5i3cB-4pr3A:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		6 / 10 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
 0.45A 5i3cB-4qezB:
23.7		 5i3cB-4qezB:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		6 / 10 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
 0.42A 5i3cB-5dk6A:
24.6		 5i3cB-5dk6A:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		9 / 11 MET A  64
GLY A  92
ALA A 156
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 None
ADE  A 301 (-3.5A)
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
 0.68A 5i3cC-4daoA:
36.9		 5i3cC-4daoA:
53.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		9 / 11 MET A  64
SER A  90
GLY A  92
ALA A 156
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
 None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
 0.45A 5i3cC-4daoA:
36.9		 5i3cC-4daoA:
53.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		5 / 11 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
 0.52A 5i3cC-4josA:
23.7		 5i3cC-4josA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE
(Sulfurimonas
denitrificans) 		5 / 11 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
 0.54A 5i3cC-4jwtA:
23.4		 5i3cC-4jwtA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Borreliella
burgdorferi) 		7 / 11 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
SER A 203
ILE A  83
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
None
 1.43A 5i3cC-4l0mA:
23.1		 5i3cC-4l0mA:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		6 / 11 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
SER A 167
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
 0.40A 5i3cC-4pr3A:
15.8		 5i3cC-4pr3A:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		7 / 11 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
SER B 197
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
 0.48A 5i3cC-4qezB:
23.2		 5i3cC-4qezB:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		7 / 11 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
 0.48A 5i3cC-5dk6A:
24.2		 5i3cC-5dk6A:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I9Y_A_1N1A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 ALA A 215
LYS A 217
GLU A 230
THR A 265
GLY A 271
LEU A 328
 ADE  A 488 (-3.2A)
None
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
 0.55A 5i9yA-2qluA:
24.9		 5i9yA-2qluA:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		5 / 12 ILE A 170
GLY A  79
ASP A  99
HIS A  98
ILE A  51
 ADE  A 301 ( 4.9A)
ADE  A 301 (-3.7A)
None
None
None
 1.34A 5igwA-4josA:
undetectable		 5igwA-4josA:
21.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.24A 5m5kA-3oneA:
57.4		 5m5kA-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.47A 5m5kA-3oneA:
57.4		 5m5kA-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 4 GLN A  66
THR A  67
THR A 206
LEU A 395
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
 0.35A 5m5kA-3oneA:
57.4		 5m5kA-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
THR A 206
ASP A 239
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
 1.32A 5m5kB-3oneA:
57.3		 5m5kB-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
THR A 206
LYS A 235
ASP A 239
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.60A 5m5kB-3oneA:
57.3		 5m5kB-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 4 GLN A  66
THR A  67
LEU A 395
LEU A 398
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
 0.31A 5m5kB-3oneA:
57.3		 5m5kB-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.27A 5m5kC-3oneA:
57.2		 5m5kC-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.48A 5m5kC-3oneA:
57.2		 5m5kC-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_C_ADNC502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 4 GLN A  66
THR A  67
THR A 206
LEU A 395
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
 0.36A 5m5kC-3oneA:
57.2		 5m5kC-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.31A 5m66A-3oneA:
57.6		 5m66A-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
THR A 206
ASP A 239
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
 1.28A 5m66A-3oneA:
57.6		 5m66A-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
THR A 206
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.44A 5m66A-3oneA:
57.6		 5m66A-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 4 GLN A  66
THR A  67
GLU A 205
LEU A 395
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-4.2A)
 0.36A 5m66A-3oneA:
57.6		 5m66A-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.24A 5m66B-3oneA:
57.3		 5m66B-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.52A 5m66B-3oneA:
57.3		 5m66B-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 4 GLN A  66
THR A  67
THR A 206
LEU A 395
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
 0.29A 5m66B-3oneA:
57.3		 5m66B-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.34A 5m66C-3oneA:
57.3		 5m66C-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 HIS A  62
THR A  64
GLN A  66
ASP A 139
THR A 206
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.17A 5m66C-3oneA:
57.3		 5m66C-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
THR A 206
ASP A 239
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
 1.30A 5m66C-3oneA:
57.3		 5m66C-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_D_ADND502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.39A 5m66D-3oneA:
57.1		 5m66D-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_D_ADND502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 HIS A  62
THR A  64
GLN A  66
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.20A 5m66D-3oneA:
57.1		 5m66D-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_D_ADND502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		3 / 3 THR A  67
THR A 206
LEU A 395
 ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
 0.44A 5m66D-3oneA:
57.1		 5m66D-3oneA:
62.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIG_A_CUA601_0
(LACCASE 2)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		3 / 3 HIS A 196
HIS A  16
HIS A  18
 ZN  A 327 ( 3.5A)
ZN  A 327 (-3.4A)
ADE  A 328 ( 3.0A)
 0.58A 5migA-3paoA:
undetectable		 5migA-3paoA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIG_A_CUA601_0
(LACCASE 2)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		3 / 3 HIS A 199
HIS A  19
HIS A  21
 ZN  A 344 ( 3.4A)
ZN  A 344 (-3.5A)
ADE  A 345 ( 3.2A)
 0.59A 5migA-3rysA:
undetectable		 5migA-3rysA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0W_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 3s99 BASIC MEMBRANE
LIPOPROTEIN
(Brucella
abortus) 		6 / 12 ILE A 149
GLY A 150
HIS A 209
PHE A 164
ILE A 199
ALA A 195
 None
None
ADE  A 400 (-4.5A)
None
None
None
 1.43A 5n0wB-3s99A:
3.9		 5n0wB-3s99A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5K_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		4 / 5 ILE A 139
HIS A  21
HIS A  19
HIS A 199
 None
ADE  A 345 ( 3.2A)
ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
 0.89A 5n5kA-3rysA:
undetectable		 5n5kA-3rysA:
19.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UTU_F_ADNF503_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.31A 5utuF-3oneA:
55.3		 5utuF-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UTU_F_ADNF503_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
THR A 206
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.54A 5utuF-3oneA:
55.3		 5utuF-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UTU_H_ADNH503_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.31A 5utuH-3oneA:
55.7		 5utuH-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UTU_H_ADNH503_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		11 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.53A 5utuH-3oneA:
55.7		 5utuH-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UTU_H_ADNH503_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 5 THR A  67
GLU A 205
THR A 206
LEU A 395
 ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
 0.38A 5utuH-3oneA:
55.7		 5utuH-3oneA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V96_A_ADNA502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.24A 5v96A-3oneA:
58.7		 5v96A-3oneA:
65.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V96_A_ADNA502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.46A 5v96A-3oneA:
58.7		 5v96A-3oneA:
65.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V96_B_ADNB502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.26A 5v96B-3oneA:
33.8		 5v96B-3oneA:
65.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V96_B_ADNB502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.48A 5v96B-3oneA:
33.8		 5v96B-3oneA:
65.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V96_C_ADNC502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.26A 5v96C-3oneA:
58.8		 5v96C-3oneA:
65.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V96_C_ADNC502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.48A 5v96C-3oneA:
58.8		 5v96C-3oneA:
65.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V96_D_ADND502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.23A 5v96D-3oneA:
58.8		 5v96D-3oneA:
65.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V96_D_ADND502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.47A 5v96D-3oneA:
58.8		 5v96D-3oneA:
65.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCY_A_DB8A401_1
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
LYS A 217
GLU A 230
LEU A 263
THR A 265
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
None
None
ADE  A 488 (-4.3A)
 0.80A 5vcyA-2qluA:
22.9		 5vcyA-2qluA:
28.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIO_A_HFGA801_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		5 / 12 GLU A  84
PRO A 189
GLU A 192
THR A 233
GLY A 113
 None
None
ADE  A 502 (-2.9A)
ADE  A 502 (-4.3A)
ADE  A 502 (-3.6A)
 1.17A 5xioA-4lnaA:
2.2		 5xioA-4lnaA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIO_A_HFGA801_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE
(Planctopirus
limnophila) 		5 / 12 GLU A  87
PRO A 191
GLU A 194
THR A 235
GLY A 116
 None
None
ADE  A 401 (-2.7A)
ADE  A 401 (-4.3A)
ADE  A 401 (-3.7A)
 1.14A 5xioA-4m1eA:
2.8		 5xioA-4m1eA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_B_1E8B1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
LYS A 217
LEU A 263
ASP A 275
LEU A 328
ASP A 339
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
None
None
ADE  A 488 (-4.4A)
None
 0.93A 5yu9B-2qluA:
23.9		 5yu9B-2qluA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_C_1E8C1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
LEU A 263
GLY A 271
ASP A 275
ASP A 339
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.1A)
None
None
 0.82A 5yu9C-2qluA:
23.7		 5yu9C-2qluA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_C_1E8C1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
LYS A 217
LEU A 263
ASP A 275
ASP A 339
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
None
None
None
 0.97A 5yu9C-2qluA:
23.7		 5yu9C-2qluA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_D_1E8D1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
GLY A 271
ASP A 275
LEU A 328
ASP A 339
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
ADE  A 488 ( 4.1A)
None
ADE  A 488 (-4.4A)
None
 0.64A 5yu9D-2qluA:
24.3		 5yu9D-2qluA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_D_1E8D1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		6 / 12 VAL A 204
ALA A 215
LYS A 217
ASP A 275
LEU A 328
ASP A 339
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
None
ADE  A 488 (-4.4A)
None
 0.86A 5yu9D-2qluA:
24.3		 5yu9D-2qluA:
14.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Z3J_A_NCAA302_0
(ABRIN A-CHAIN)		 1aha ALPHA-MOMORCHARIN
(Momordica
charantia) 		5 / 6 TYR A  70
TYR A 111
ILE A 155
GLU A 160
ARG A 163
 ADE  A 339 ( 3.8A)
ADE  A 339 ( 3.6A)
ADE  A 339 (-4.1A)
ADE  A 339 (-4.5A)
ADE  A 339 ( 2.9A)
 0.24A 5z3jA-1ahaA:
34.3		 5z3jA-1ahaA:
31.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z3J_A_NCAA302_0
(ABRIN A-CHAIN)		 2qes RIBOSOME-INACTIVATIN
G PROTEIN PD-L4
(Phytolacca
dioica) 		6 / 6 TYR A  72
VAL A  73
TYR A 122
ILE A 170
GLU A 175
ARG A 178
 ADE  A 501 (-3.8A)
ADE  A 501 ( 3.9A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.0A)
ADE  A 501 ( 4.7A)
ADE  A 501 (-2.9A)
 0.24A 5z3jA-2qesA:
32.3		 5z3jA-2qesA:
28.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Z3J_A_NCAA302_0
(ABRIN A-CHAIN)		 3ku0 RIBOSOME-INACTIVATIN
G PROTEIN GELONIN
(Suregada
multiflora) 		5 / 6 VAL A  75
TYR A 113
ILE A 161
GLU A 166
ARG A 169
 ADE  A 800 (-3.9A)
ADE  A 800 (-3.5A)
ADE  A 800 (-4.0A)
ADE  A 800 ( 4.5A)
ADE  A 800 (-2.7A)
 0.26A 5z3jA-3ku0A:
34.2		 5z3jA-3ku0A:
34.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZNC_A_QI9A301_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Bacillus
subtilis) 		5 / 9 SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
 ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
 0.40A 5zncA-4daoA:
32.0		 5zncA-4daoA:
24.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZNC_A_QI9A301_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE
(Brucella
melitensis) 		5 / 9 VAL A  34
SER A  65
GLY A  67
VAL A 142
MET A 144
 None
ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
 0.60A 5zncA-4pr3A:
14.9		 5zncA-4pr3A:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZNC_A_QI9A301_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		5 / 9 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
 0.57A 5zncA-4qezB:
22.3		 5zncA-4qezB:
25.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZNC_A_QI9A301_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		5 / 9 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
 0.39A 5zncA-5dk6A:
22.7		 5zncA-5dk6A:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZNC_A_QI9A301_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		5 / 9 SER A  76
VAL A 177
GLU A 178
MET A 179
ASP A 203
 ADE  A 302 ( 3.7A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
ADE  A 302 (-2.9A)
 1.02A 5zncA-5dk6A:
22.7		 5zncA-5dk6A:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A5Z_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 1aha ALPHA-MOMORCHARIN
(Momordica
charantia) 		5 / 12 ALA A 135
ALA A 150
ILE A 155
LEU A 132
ALA A 131
 None
None
ADE  A 339 (-4.1A)
None
None
 1.10A 6a5zD-1ahaA:
undetectable		 6a5zD-1ahaA:
16.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6APH_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 LEU A  61
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
HIS A 404
 None
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
 1.18A 6aphA-3oneA:
55.8		 6aphA-3oneA:
57.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6APH_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.54A 6aphA-3oneA:
55.8		 6aphA-3oneA:
57.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6APH_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 GLN A  66
THR A  67
THR A 206
HIS A 350
LEU A 398
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
ADE  A 506 ( 4.7A)
 0.10A 6aphA-3oneA:
55.8		 6aphA-3oneA:
57.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C2M_D_SUED1202_0
(NS3 PROTEASE)		 5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Colwellia
psychrerythraea) 		5 / 12 GLY A 149
VAL A 196
ILE A 204
ARG A 199
ALA A  77
 None
None
None
None
ADE  A 302 (-4.9A)
 1.09A 6c2mD-5dk6A:
undetectable		 6c2mD-5dk6A:
17.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_A_ADNA502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		11 / 12 HIS A  62
THR A  64
GLN A  66
THR A  67
ASP A 239
ASN A 397
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-3.0A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.28A 6exiA-3oneA:
56.4		 6exiA-3oneA:
64.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_A_ADNA502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		8 / 12 HIS A  62
THR A  64
GLN A  66
THR A  67
HIS A 350
LEU A 398
GLY A 403
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-4.9A)
 1.03A 6exiA-3oneA:
56.4		 6exiA-3oneA:
64.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_B_ADNB502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
THR A  64
GLN A  66
THR A  67
HIS A 350
LEU A 398
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
ADE  A 506 ( 4.7A)
ADE  A 506 (-4.9A)
 1.07A 6exiB-3oneA:
55.4		 6exiB-3oneA:
64.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_B_ADNB502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		11 / 12 HIS A  62
THR A  64
GLN A  66
THR A  67
LYS A 235
ASP A 239
ASN A 397
LEU A 398
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-3.0A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.67A 6exiB-3oneA:
55.4		 6exiB-3oneA:
64.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_C_ADNC502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  64
ASP A 239
ASN A 240
LEU A 395
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-3.5A)
NAD  A 501 (-4.2A)
 1.26A 6exiC-3oneA:
56.5		 6exiC-3oneA:
64.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_C_ADNC502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		8 / 12 LEU A  61
HIS A  62
THR A  64
GLN A  66
THR A  67
ASP A 239
ASN A 240
MET A 409
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-3.5A)
ADE  A 506 (-3.8A)
 0.93A 6exiC-3oneA:
56.5		 6exiC-3oneA:
64.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_C_ADNC502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		10 / 12 LEU A  61
HIS A  62
THR A  64
GLN A  66
THR A  67
ASP A 239
ASN A 397
LEU A 398
HIS A 404
MET A 409
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-3.0A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
 0.53A 6exiC-3oneA:
56.5		 6exiC-3oneA:
64.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_C_ADNC502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 LEU A  61
HIS A  62
THR A  64
GLN A  66
THR A  67
HIS A 350
LEU A 398
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
ADE  A 506 ( 4.7A)
 1.18A 6exiC-3oneA:
56.5		 6exiC-3oneA:
64.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_D_ADND502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		11 / 12 HIS A  62
THR A  64
GLN A  66
THR A  67
ASP A 239
ASN A 397
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-3.0A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.34A 6exiD-3oneA:
55.7		 6exiD-3oneA:
64.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_D_ADND502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		8 / 12 HIS A  62
THR A  64
GLN A  66
THR A  67
HIS A 350
LEU A 398
GLY A 403
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-4.9A)
 1.07A 6exiD-3oneA:
55.7		 6exiD-3oneA:
64.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_A_ADNA502_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
HIS A 404
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
 1.33A 6f3mA-3oneA:
51.7		 6f3mA-3oneA:
47.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_A_ADNA502_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
HIS A 350
LEU A 395
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
None
NAD  A 501 (-4.2A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.20A 6f3mA-3oneA:
51.7		 6f3mA-3oneA:
47.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_A_ADNA502_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
HIS A 350
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
None
 1.27A 6f3mA-3oneA:
51.7		 6f3mA-3oneA:
47.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_A_ADNA502_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
LEU A 398
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
 1.39A 6f3mA-3oneA:
51.7		 6f3mA-3oneA:
47.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_A_ADNA502_2
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 4 GLN A  66
THR A  67
THR A 206
LEU A 398
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
ADE  A 506 ( 4.7A)
 0.11A 6f3mA-3oneA:
51.7		 6f3mA-3oneA:
47.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_B_ADNB502_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.26A 6f3mB-3oneA:
51.5		 6f3mB-3oneA:
47.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_B_ADNB502_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
HIS A 350
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
None
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.17A 6f3mB-3oneA:
51.5		 6f3mB-3oneA:
47.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_B_ADNB502_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
HIS A 350
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
None
 1.26A 6f3mB-3oneA:
51.5		 6f3mB-3oneA:
47.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_B_ADNB502_2
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 4 GLN A  66
THR A  67
THR A 206
LEU A 395
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
 0.29A 6f3mB-3oneA:
51.5		 6f3mB-3oneA:
47.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_C_ADNC502_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
HIS A 404
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
 1.34A 6f3mC-3oneA:
51.6		 6f3mC-3oneA:
47.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_C_ADNC502_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
HIS A 350
LEU A 395
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
None
NAD  A 501 (-4.2A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.20A 6f3mC-3oneA:
51.6		 6f3mC-3oneA:
47.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_C_ADNC502_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
HIS A 350
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
None
 1.25A 6f3mC-3oneA:
51.6		 6f3mC-3oneA:
47.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_C_ADNC502_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
LEU A 398
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
 1.39A 6f3mC-3oneA:
51.6		 6f3mC-3oneA:
47.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_C_ADNC502_2
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 4 GLN A  66
THR A  67
THR A 206
LEU A 398
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
ADE  A 506 ( 4.7A)
 0.10A 6f3mC-3oneA:
51.6		 6f3mC-3oneA:
47.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_D_ADND502_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.26A 6f3mD-3oneA:
51.7		 6f3mD-3oneA:
47.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_D_ADND502_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
HIS A 350
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
None
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.16A 6f3mD-3oneA:
51.7		 6f3mD-3oneA:
47.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_D_ADND502_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
HIS A 350
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
None
 1.26A 6f3mD-3oneA:
51.7		 6f3mD-3oneA:
47.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_D_ADND502_2
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 5 GLN A  66
THR A  67
THR A 206
LEU A 395
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
 0.30A 6f3mD-3oneA:
51.7		 6f3mD-3oneA:
47.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_A_ADNA505_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.41A 6f3nA-3oneA:
51.7		 6f3nA-3oneA:
47.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_A_ADNA505_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.25A 6f3nA-3oneA:
51.7		 6f3nA-3oneA:
47.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_A_ADNA505_2
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 4 GLN A  66
THR A  67
THR A 206
HIS A 350
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
 0.18A 6f3nA-3oneA:
51.7		 6f3nA-3oneA:
47.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_B_ADNB505_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.28A 6f3nB-3oneA:
51.7		 6f3nB-3oneA:
47.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_B_ADNB505_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 HIS A  62
THR A  64
ASP A 139
GLU A 205
THR A 206
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.15A 6f3nB-3oneA:
51.7		 6f3nB-3oneA:
47.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_B_ADNB505_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
THR A 206
ASP A 239
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
 1.28A 6f3nB-3oneA:
51.7		 6f3nB-3oneA:
47.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_B_ADNB505_2
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 4 GLN A  66
THR A  67
HIS A 350
LEU A 395
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-4.2A)
 0.34A 6f3nB-3oneA:
51.7		 6f3nB-3oneA:
47.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_C_ADNC505_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.16A 6f3nC-3oneA:
51.7		 6f3nC-3oneA:
47.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_C_ADNC505_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 12 HIS A  62
THR A  67
ASP A 139
ASP A 239
LEU A 398
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
 1.38A 6f3nC-3oneA:
51.7		 6f3nC-3oneA:
47.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_C_ADNC505_2
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 4 GLN A  66
THR A  67
THR A 206
HIS A 350
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
 0.18A 6f3nC-3oneA:
51.7		 6f3nC-3oneA:
47.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_D_ADND506_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.41A 6f3nD-3oneA:
51.8		 6f3nD-3oneA:
47.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_D_ADND506_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.26A 6f3nD-3oneA:
51.8		 6f3nD-3oneA:
47.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_D_ADND506_2
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		4 / 4 GLN A  66
THR A  67
THR A 206
HIS A 350
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
 0.18A 6f3nD-3oneA:
51.8		 6f3nD-3oneA:
47.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F88_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		 1aha ALPHA-MOMORCHARIN
(Momordica
charantia) 		4 / 6 PHE A  83
LEU A 105
SER A 144
THR A 138
 ADE  A 339 ( 4.8A)
None
None
None
 0.98A 6f88A-1ahaA:
0.0		 6f88A-1ahaA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FCD_A_ADNA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		4 / 8 HIS A  21
ASP A 281
SER A  61
PHE A  62
 ADE  A 345 ( 3.2A)
ADE  A 345 (-2.8A)
None
None
 1.21A 6fcdA-3rysA:
undetectable		 6fcdA-3rysA:
14.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FNM_A_1N1A1001_1
(-)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
LYS A 217
GLU A 230
THR A 265
GLY A 271
LEU A 328
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
 0.83A 6fnmA-2qluA:
26.0		 6fnmA-2qluA:
26.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G6R_A_SAMA406_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		4 / 7 HIS A  21
ASP A 281
SER A  61
PHE A  62
 ADE  A 345 ( 3.2A)
ADE  A 345 (-2.8A)
None
None
 1.21A 6g6rA-3rysA:
undetectable		 6g6rA-3rysA:
23.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_A_ADNA501_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		6 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.30A 6gbnA-3oneA:
55.2		 6gbnA-3oneA:
58.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_A_ADNA501_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.50A 6gbnA-3oneA:
55.2		 6gbnA-3oneA:
58.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_A_ADNA501_2
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 GLN A  66
THR A  67
THR A 206
HIS A 350
LEU A 395
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
NAD  A 501 (-4.2A)
 0.37A 6gbnA-3oneA:
55.2		 6gbnA-3oneA:
58.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_B_ADNB501_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		8 / 12 LEU A  61
HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
HIS A 404
 None
ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
 1.41A 6gbnB-3oneA:
55.0		 6gbnB-3oneA:
58.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_B_ADNB501_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.51A 6gbnB-3oneA:
55.0		 6gbnB-3oneA:
58.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_B_ADNB501_2
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 GLN A  66
THR A  67
THR A 206
HIS A 350
LEU A 398
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
ADE  A 506 ( 4.7A)
 0.15A 6gbnB-3oneA:
55.0		 6gbnB-3oneA:
58.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_C_ADNC501_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.44A 6gbnC-3oneA:
55.4		 6gbnC-3oneA:
58.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_C_ADNC501_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 LEU A  61
HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
 None
ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
 1.34A 6gbnC-3oneA:
55.4		 6gbnC-3oneA:
58.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_C_ADNC501_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
LEU A 398
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.51A 6gbnC-3oneA:
55.4		 6gbnC-3oneA:
58.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_C_ADNC501_2
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 GLN A  66
THR A  67
THR A 206
HIS A 350
GLY A 403
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
ADE  A 506 ( 3.6A)
 0.15A 6gbnC-3oneA:
55.4		 6gbnC-3oneA:
58.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_D_ADND501_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		7 / 12 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.42A 6gbnD-3oneA:
54.8		 6gbnD-3oneA:
58.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_D_ADND501_1
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		12 / 12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.50A 6gbnD-3oneA:
54.8		 6gbnD-3oneA:
58.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_D_ADND501_2
(-)		 3one ADENOSYLHOMOCYSTEINA
SE
(Lupinus
luteus) 		5 / 5 GLN A  66
THR A  67
THR A 206
HIS A 350
LEU A 395
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
NAD  A 501 (-4.2A)
 0.37A 6gbnD-3oneA:
54.7		 6gbnD-3oneA:
58.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_1
(-)		 4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE
(Francisella
philomiragia) 		5 / 12 THR A  95
VAL A 161
HIS A  98
VAL A 152
GLY A  79
 None
None
None
ADE  A 301 (-4.2A)
ADE  A 301 (-3.7A)
 1.32A 6gngB-4josA:
2.8		 6gngB-4josA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_2
(-)		 2ics ADENINE DEAMINASE
(Enterococcus
faecalis) 		5 / 12 GLY A 121
GLY A 247
PRO A 282
ARG A 156
GLN A 125
 None
None
None
ADE  A1114 (-4.3A)
ADE  A1114 (-3.3A)
 1.11A 6gngB-2icsA:
undetectable		 6gngB-2icsA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD4_A_STIA604_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE
(Bacillus
anthracis) 		4 / 5 VAL B 112
PHE B 152
MET B 153
GLY B  78
 None
ADE  B 301 (-3.9A)
None
ADE  B 301 (-3.2A)
 1.43A 6hd4A-4qezB:
undetectable		 6hd4A-4qezB:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD6_A_STIA603_0
(TYROSINE-PROTEIN
KINASE ABL1)		 2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens) 		7 / 12 VAL A 204
ALA A 215
GLU A 230
THR A 265
PHE A 267
LEU A 328
ALA A 338
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 (-4.3A)
ADE  A 488 (-4.4A)
None
 0.88A 6hd6A-2qluA:
24.1		 6hd6A-2qluA:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN4_C_AM2C301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 3s99 BASIC MEMBRANE
LIPOPROTEIN
(Brucella
abortus) 		4 / 8 TRP A 185
ASP A  33
HIS A 209
ASP A 247
 ADE  A 400 ( 3.5A)
None
ADE  A 400 (-4.5A)
None
 1.23A 6mn4C-3s99A:
undetectable		 6mn4C-3s99A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_A_DCFA401_0
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  18
LEU A  56
HIS A 196
ASP A 277
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 0.90A 6n91A-3paoA:
41.9		 6n91A-3paoA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_A_DCFA401_0
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		6 / 12 HIS A  18
LEU A  56
LEU A  60
HIS A 196
GLU A 199
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ADE  A 328 (-4.9A)
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
ADE  A 328 (-2.8A)
 1.20A 6n91A-3paoA:
41.9		 6n91A-3paoA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_A_DCFA401_0
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		8 / 12 HIS A  18
LEU A  56
LEU A  60
HIS A 196
GLU A 199
HIS A 220
ASP A 277
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ADE  A 328 (-4.9A)
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 0.55A 6n91A-3paoA:
41.9		 6n91A-3paoA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_A_DCFA401_0
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 196
LEU A  60
LEU A  56
SER A 247
HIS A  18
 ZN  A 327 ( 3.5A)
ADE  A 328 (-4.9A)
ADE  A 328 (-4.6A)
ADE  A 328 ( 4.5A)
ADE  A 328 ( 3.0A)
 1.09A 6n91A-3paoA:
41.9		 6n91A-3paoA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_A_DCFA401_0
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  21
LEU A  59
HIS A 199
ASP A 280
ASP A 281
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 0.86A 6n91A-3rysA:
42.7		 6n91A-3rysA:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_A_DCFA401_0
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		6 / 12 HIS A  21
LEU A  59
LEU A  63
HIS A 199
GLU A 202
ASP A 281
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
ADE  A 345 (-2.8A)
 1.19A 6n91A-3rysA:
42.7		 6n91A-3rysA:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_A_DCFA401_0
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		8 / 12 HIS A  21
LEU A  59
LEU A  63
HIS A 199
GLU A 202
HIS A 223
ASP A 280
ASP A 281
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 0.56A 6n91A-3rysA:
42.7		 6n91A-3rysA:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_A_DCFA401_0
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A 199
LEU A  63
LEU A  59
SER A 250
HIS A  21
 ZN  A 344 ( 3.4A)
None
ADE  A 345 (-4.5A)
ADE  A 345 ( 4.2A)
ADE  A 345 ( 3.2A)
 1.09A 6n91A-3rysA:
42.7		 6n91A-3rysA:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_B_DCFB401_0
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  18
ASP A 100
LEU A  60
HIS A 220
ASP A 277
 ADE  A 328 ( 3.0A)
None
ADE  A 328 (-4.9A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
 1.24A 6n91B-3paoA:
42.0		 6n91B-3paoA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_B_DCFB401_0
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  18
LEU A  56
HIS A 196
ASP A 277
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 0.94A 6n91B-3paoA:
42.0		 6n91B-3paoA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_B_DCFB401_0
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  18
LEU A  56
LEU A  60
GLU A 199
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ADE  A 328 (-4.9A)
ADE  A 328 (-3.0A)
ADE  A 328 (-2.8A)
 1.20A 6n91B-3paoA:
42.0		 6n91B-3paoA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_B_DCFB401_0
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		8 / 12 HIS A  18
LEU A  56
LEU A  60
HIS A 196
GLU A 199
HIS A 220
ASP A 277
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ADE  A 328 (-4.9A)
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 0.63A 6n91B-3paoA:
42.0		 6n91B-3paoA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_B_DCFB401_0
(ADENOSINE DEAMINASE)		 3pao ADENOSINE DEAMINASE
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 196
LEU A  60
LEU A  56
SER A 247
HIS A  18
 ZN  A 327 ( 3.5A)
ADE  A 328 (-4.9A)
ADE  A 328 (-4.6A)
ADE  A 328 ( 4.5A)
ADE  A 328 ( 3.0A)
 1.06A 6n91B-3paoA:
42.0		 6n91B-3paoA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_B_DCFB401_0
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  21
LEU A  59
HIS A 199
ASP A 280
ASP A 281
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 0.89A 6n91B-3rysA:
42.8		 6n91B-3rysA:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_B_DCFB401_0
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A  21
LEU A  59
LEU A  63
GLU A 202
ASP A 281
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
None
ADE  A 345 (-2.8A)
ADE  A 345 (-2.8A)
 1.20A 6n91B-3rysA:
42.8		 6n91B-3rysA:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_B_DCFB401_0
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		8 / 12 HIS A  21
LEU A  59
LEU A  63
HIS A 199
GLU A 202
HIS A 223
ASP A 280
ASP A 281
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 0.63A 6n91B-3rysA:
42.8		 6n91B-3rysA:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_B_DCFB401_0
(ADENOSINE DEAMINASE)		 3rys ADENOSINE DEAMINASE
1
(Paenarthrobacter
aurescens) 		5 / 12 HIS A 199
LEU A  63
LEU A  59
SER A 250
HIS A  21
 ZN  A 344 ( 3.4A)
None
ADE  A 345 (-4.5A)
ADE  A 345 ( 4.2A)
ADE  A 345 ( 3.2A)
 1.06A 6n91B-3rysA:
42.8		 6n91B-3rysA:
13.12