SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'GLC'


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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BX4_A_ADNA350_1
(PROTEIN (ADENOSINE
KINASE))		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ALA A 204
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.73A 1bx4A-5o0jA:
23.5		 1bx4A-5o0jA:
15.24
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.
1BX4_A_ADNA350_1
(PROTEIN (ADENOSINE
KINASE))		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
LEU A  93
GLY A 114
GLY A 115
ALA A 204
 GLC  A 503 (-2.7A)
None
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
 0.59A 1bx4A-5o0jA:
23.5		 1bx4A-5o0jA:
15.24
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.
1BX4_A_ADNA350_1
(PROTEIN (ADENOSINE
KINASE))		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ALA A 201
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.58A 1bx4A-5od2A:
4.3		 1bx4A-5od2A:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C4D_B_DVAB8_0
(GRAMICIDIN A)		 1y4c MALTOSE BINDING
PROTEIN FUSED WITH
DESIGNED HELICAL
PROTEIN
(Escherichia
coli) 		3 / 3 TRP A 158
VAL A 259
TRP A 340
 None
None
GLC  A 372 (-3.6A)
 1.28A 1c4dA-1y4cA:
undetectable
1c4dB-1y4cA:
undetectable		 1c4dA-1y4cA:
3.17
1c4dB-1y4cA:
3.17
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.
1C4D_B_DVAB8_0
(GRAMICIDIN A)		 4qsz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
JMJC
DOMAIN-CONTAINING
PROTEIN 7 CHIMERA
(Escherichia
coli;
Mus
musculus) 		3 / 3 TRP A-213
VAL A-112
TRP A -31
 None
None
GLC  A 902 ( 3.6A)
 1.24A 1c4dA-4qszA:
undetectable
1c4dB-4qszA:
undetectable		 1c4dA-4qszA:
2.08
1c4dB-4qszA:
2.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C8L_A_CFFA940_1
(PROTEIN (GLYCOGEN
PHOSPHORYLASE))		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		4 / 6 HIS A 536
ALA A 575
GLY A 577
TYR A 578
 GLC  A 995 (-4.4A)
GLC  A 995 (-3.5A)
None
GLC  A 995 (-3.8A)
 0.73A 1c8lA-1e4oA:
51.0		 1c8lA-1e4oA:
42.87
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.
1CEA_A_ACAA90_1
(PLASMINOGEN)		 4zze SUGAR BINDING
PROTEIN OF ABC
TRANSPORTER SYSTEM
(Bifidobacterium
animalis) 		4 / 8 ASP A 214
TRP A 216
TYR A 291
THR A 211
 None
GLC  A 503 ( 3.9A)
GLC  A 502 ( 4.2A)
None
 1.00A 1ceaA-4zzeA:
undetectable
1ceaB-4zzeA:
undetectable		 1ceaA-4zzeA:
12.43
1ceaB-4zzeA:
12.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		11 / 12 HIS A  98
TYR A 100
LEU A 194
TYR A 195
LEU A 197
ASP A 229
ALA A 230
HIS A 327
ASP A 328
ASP A 371
ARG A 375
 BGC  A1696 (-4.1A)
GLC  A1695 ( 3.1A)
None
GLC  A1694 (-4.3A)
BGC  A1696 (-4.8A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
BGC  A1696 (-3.5A)
BGC  A1696 (-2.7A)
 0.47A 1dedA-1kclA:
64.3		 1dedA-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		9 / 12 HIS A  98
TYR A 100
TYR A 195
ASP A 229
GLU A 257
HIS A 327
ASP A 328
ASP A 371
ARG A 375
 BGC  A1696 (-4.1A)
GLC  A1695 ( 3.1A)
GLC  A1694 (-4.3A)
GLC  A1695 (-3.2A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
BGC  A1696 (-3.5A)
BGC  A1696 (-2.7A)
 0.69A 1dedA-1kclA:
64.3		 1dedA-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		6 / 12 TYR A 100
LEU A 194
ASP A 229
HIS A 327
ASP A 371
ARG A 375
 GLC  A1695 ( 3.1A)
None
GLC  A1695 (-3.2A)
GLC  A1695 (-4.1A)
BGC  A1696 (-3.5A)
BGC  A1696 (-2.7A)
 1.28A 1dedA-1kclA:
64.3		 1dedA-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 TYR A 100
LEU A 197
ASP A 229
GLU A 257
HIS A 327
ASP A 328
ASP A 371
 GLC  A1695 ( 3.1A)
BGC  A1696 (-4.8A)
GLC  A1695 (-3.2A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
BGC  A1696 (-3.5A)
 1.34A 1dedA-1kclA:
64.3		 1dedA-1kclA:
88.63
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		6 / 12 TYR A  58
LEU A 201
ASP A 236
ALA A 237
HIS A 332
ASP A 333
 GLC  A 605 (-4.8A)
None
None
None
None
GLC  A 605 (-3.5A)
 0.67A 1dedA-2d3lA:
26.2		 1dedA-2d3lA:
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		8 / 12 HIS A  79
TYR A  81
LEU A 170
ASP A 202
HIS A 314
ASP A 315
ASP A 359
ARG A 363
 GLC  A 602 (-3.4A)
GLC  A 603 ( 4.0A)
GLC  A 602 (-4.9A)
GLC  A 603 (-2.6A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
GLC  A 602 ( 3.3A)
GLC  A 602 (-3.0A)
 0.74A 1dedA-2z1kA:
37.8		 1dedA-2z1kA:
22.67
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		8 / 12 HIS A  79
TYR A  81
LEU A 170
GLU A 232
HIS A 314
ASP A 315
ASP A 359
ARG A 363
 GLC  A 602 (-3.4A)
GLC  A 603 ( 4.0A)
GLC  A 602 (-4.9A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
GLC  A 602 ( 3.3A)
GLC  A 602 (-3.0A)
 1.01A 1dedA-2z1kA:
37.8		 1dedA-2z1kA:
22.67
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		6 / 12 LEU A 315
ASP A 350
ALA A 351
HIS A 446
ASP A 447
ARG A 450
 None
ACI  A 806 (-3.1A)
GLD  A 807 (-3.6A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
GLC  A 805 (-3.1A)
 1.10A 1dedA-3bc9A:
27.1		 1dedA-3bc9A:
24.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 12 HIS A  99
TYR A 101
ASP A 230
GLU A 258
ASP A 329
ASP A 371
ARG A 375
 GLC  A 695 ( 3.7A)
ACI  A 694 ( 4.0A)
ACI  A 694 (-3.2A)
G6D  A 693 ( 2.8A)
ACI  A 694 ( 2.8A)
GLC  A 695 ( 3.0A)
GLC  A 695 ( 2.9A)
 0.94A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		10 / 12 HIS A  99
TYR A 101
LEU A 195
LEU A 198
ASP A 230
ALA A 231
HIS A 328
ASP A 329
ASP A 371
ARG A 375
 GLC  A 695 ( 3.7A)
ACI  A 694 ( 4.0A)
None
GLC  A 695 ( 4.9A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
GLC  A 695 ( 3.0A)
GLC  A 695 ( 2.9A)
 0.64A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 TYR A 101
LEU A 198
ASP A 230
GLU A 258
ASP A 329
ASP A 371
 ACI  A 694 ( 4.0A)
GLC  A 695 ( 4.9A)
ACI  A 694 (-3.2A)
G6D  A 693 ( 2.8A)
ACI  A 694 ( 2.8A)
GLC  A 695 ( 3.0A)
 1.43A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 TYR A 101
LEU A 198
ASP A 230
HIS A 328
ASP A 329
ASP A 371
 ACI  A 694 ( 4.0A)
GLC  A 695 ( 4.9A)
ACI  A 694 (-3.2A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
GLC  A 695 ( 3.0A)
 1.43A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3vm7 ALPHA-AMYLASE
(Malbranchea
cinnamomea) 		7 / 12 HIS A 100
TYR A 102
GLU A 249
HIS A 315
ASP A 316
ASP A 359
ARG A 363
 None
None
GLC  A 503 (-2.6A)
None
GLC  A 503 (-3.0A)
None
None
 1.04A 1dedA-3vm7A:
41.9		 1dedA-3vm7A:
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3vm7 ALPHA-AMYLASE
(Malbranchea
cinnamomea) 		9 / 12 HIS A 100
TYR A 102
LEU A 185
LEU A 192
ASP A 225
HIS A 315
ASP A 316
ASP A 359
ARG A 363
 None
None
None
None
GLC  A 503 (-3.5A)
None
GLC  A 503 (-3.0A)
None
None
 0.71A 1dedA-3vm7A:
41.9		 1dedA-3vm7A:
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3vm7 ALPHA-AMYLASE
(Malbranchea
cinnamomea) 		7 / 12 TYR A 102
LEU A 192
ASP A 225
HIS A 315
ASP A 316
ASP A 359
ARG A 363
 None
None
GLC  A 503 (-3.5A)
None
GLC  A 503 (-3.0A)
None
None
 1.41A 1dedA-3vm7A:
41.9		 1dedA-3vm7A:
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		8 / 12 HIS A 102
TYR A 104
LEU A 184
ASP A 217
GLU A 246
ASP A 314
ASP A 362
ARG A 366
 GLC  A 504 ( 3.7A)
ACI  A 505 (-4.1A)
GLC  A 504 (-4.8A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-2.8A)
GLC  A 504 (-2.8A)
GLC  A 504 (-2.6A)
 1.00A 1dedA-4e2oA:
43.3		 1dedA-4e2oA:
25.40
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		8 / 12 HIS A 102
TYR A 104
LEU A 184
ASP A 217
HIS A 313
ASP A 314
ASP A 362
ARG A 366
 GLC  A 504 ( 3.7A)
ACI  A 505 (-4.1A)
GLC  A 504 (-4.8A)
ACI  A 505 (-3.1A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
GLC  A 504 (-2.8A)
GLC  A 504 (-2.6A)
 0.74A 1dedA-4e2oA:
43.3		 1dedA-4e2oA:
25.40
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		8 / 12 HIS A 102
TYR A 104
TYR A 182
ASP A 217
GLU A 246
ASP A 314
ASP A 362
ARG A 366
 GLC  A 504 ( 3.7A)
ACI  A 505 (-4.1A)
BGC  A 507 (-4.7A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-2.8A)
GLC  A 504 (-2.8A)
GLC  A 504 (-2.6A)
 1.16A 1dedA-4e2oA:
43.3		 1dedA-4e2oA:
25.40
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		8 / 12 HIS A 102
TYR A 104
TYR A 182
ASP A 217
HIS A 313
ASP A 314
ASP A 362
ARG A 366
 GLC  A 504 ( 3.7A)
ACI  A 505 (-4.1A)
BGC  A 507 (-4.7A)
ACI  A 505 (-3.1A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
GLC  A 504 (-2.8A)
GLC  A 504 (-2.6A)
 0.89A 1dedA-4e2oA:
43.3		 1dedA-4e2oA:
25.40
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 5jbe INACTIVE
GLUCANSUCRASE
(Lactobacillus
reuteri) 		6 / 12 TYR A1439
LEU A 971
ASP A1015
ALA A1016
HIS A1124
ASP A1125
 GLC  A1711 ( 4.4A)
None
None
None
None
GLC  A1711 ( 3.2A)
 0.77A 1dedA-5jbeA:
4.4		 1dedA-5jbeA:
24.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_2
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		8 / 9 TYR A  97
TRP A 101
HIS A 140
ASP A 196
ARG A 227
LYS A 232
TRP A 258
PHE A 259
 None
BGC  A1696 (-4.2A)
GLC  A1695 (-3.8A)
None
GLC  A1695 ( 4.1A)
GLC  A1693 ( 4.8A)
None
GLC  A1693 (-3.7A)
 0.40A 1dedA-1kclA:
64.3		 1dedA-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_2
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		8 / 9 TYR A  98
TRP A 102
HIS A 141
ASP A 197
ARG A 228
LYS A 233
TRP A 259
PHE A 260
 None
GLC  A 695 (-3.9A)
ACI  A 694 (-3.9A)
GOL  A 704 (-3.1A)
ACI  A 694 (-3.4A)
GLC  A 692 ( 2.8A)
None
G6D  A 693 ( 4.3A)
 0.60A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA2001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 6 TRP A 616
LYS A 651
GLY A 665
ASN A 667
 GLC  A1699 (-3.8A)
GLC  A1698 (-2.5A)
None
GLC  A1699 (-2.8A)
 1.01A 1dedA-1kclA:
64.3		 1dedA-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA2001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		6 / 6 TRP A 616
LYS A 651
TRP A 662
GLY A 664
ASN A 667
PRO A 686
 GLC  A1699 (-3.8A)
GLC  A1698 (-2.5A)
GLC  A1698 ( 3.8A)
GLC  A1698 ( 4.8A)
GLC  A1699 (-2.8A)
None
 0.45A 1dedA-1kclA:
64.3		 1dedA-1kclA:
88.63
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.
1DED_A_QPSA2001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4pyh PHOSPHOGLUCAN
PHOSPHATASE DSP4,
CHLOROPLASTIC
(Arabidopsis
thaliana) 		4 / 6 TRP A 278
LYS A 307
TRP A 314
ASN A 332
 GLC  A 405 ( 3.7A)
GLC  A 406 (-2.9A)
GLC  A 406 (-4.0A)
GLC  A 405 (-2.9A)
 0.41A 1dedA-4pyhA:
7.3		 1dedA-4pyhA:
17.66
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.
1DED_A_QPSA2001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4rkk LAFORIN
(Homo
sapiens) 		4 / 6 TRP A  32
LYS A  87
TRP A  99
GLY A 101
 GLC  A 417 ( 3.7A)
GLC  A 414 (-2.7A)
GLC  A 414 (-3.9A)
None
 0.48A 1dedA-4rkkA:
7.7		 1dedA-4rkkA:
18.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		12 / 12 HIS A  98
TYR A 100
TYR A 195
LEU A 197
ARG A 227
ASP A 229
ALA A 230
GLU A 257
PHE A 259
HIS A 327
ASP A 328
ARG A 375
 BGC  A1696 (-4.1A)
GLC  A1695 ( 3.1A)
GLC  A1694 (-4.3A)
BGC  A1696 (-4.8A)
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1693 (-3.7A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
BGC  A1696 (-2.7A)
 0.53A 1dedB-1kclA:
68.6		 1dedB-1kclA:
88.63
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		7 / 12 TYR A  58
ARG A 234
ASP A 236
ALA A 237
GLU A 266
HIS A 332
ASP A 333
 GLC  A 605 (-4.8A)
None
None
None
None
None
GLC  A 605 (-3.5A)
 0.70A 1dedB-2d3lA:
24.0		 1dedB-2d3lA:
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		6 / 12 TYR A 667
ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 BGC  A2144 (-4.5A)
None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.80A 1dedB-2ya1A:
22.3		 1dedB-2ya1A:
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		9 / 12 HIS A  79
TYR A  81
LEU A 170
ARG A 200
ASP A 202
GLU A 232
HIS A 314
ASP A 315
ARG A 363
 GLC  A 602 (-3.4A)
GLC  A 603 ( 4.0A)
GLC  A 602 (-4.9A)
GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
GLC  A 602 (-3.0A)
 0.74A 1dedB-2z1kA:
40.7		 1dedB-2z1kA:
22.67
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		6 / 12 TYR A  72
ARG A 213
ASP A 215
HIS A 351
ASP A 352
ARG A 446
 GLC  A 601 (-3.7A)
GLC  A 601 (-3.0A)
GLC  A 601 (-2.9A)
GLC  A 601 (-3.9A)
GLC  A 601 (-2.8A)
GLC  A 601 ( 4.7A)
 0.69A 1dedB-3axiA:
24.5		 1dedB-3axiA:
22.97
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		7 / 12 TYR A 184
ARG A 348
ASP A 350
ALA A 351
GLU A 380
HIS A 446
ARG A 450
 ACI  A 806 ( 4.0A)
ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 (-3.6A)
GLD  A 807 ( 2.8A)
ACI  A 806 (-4.1A)
GLC  A 805 (-3.1A)
 1.03A 1dedB-3bc9A:
24.4		 1dedB-3bc9A:
24.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		11 / 12 HIS A  99
TYR A 101
LEU A 198
ARG A 228
ASP A 230
ALA A 231
GLU A 258
PHE A 260
HIS A 328
ASP A 329
ARG A 375
 GLC  A 695 ( 3.7A)
ACI  A 694 ( 4.0A)
GLC  A 695 ( 4.9A)
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
G6D  A 693 ( 4.3A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
GLC  A 695 ( 2.9A)
 0.63A 1dedB-3bmwA:
66.5		 1dedB-3bmwA:
68.56
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3vm7 ALPHA-AMYLASE
(Malbranchea
cinnamomea) 		9 / 12 HIS A 100
TYR A 102
LEU A 192
ARG A 223
ASP A 225
GLU A 249
HIS A 315
ASP A 316
ARG A 363
 None
None
None
None
GLC  A 503 (-3.5A)
GLC  A 503 (-2.6A)
None
GLC  A 503 (-3.0A)
None
 0.68A 1dedB-3vm7A:
45.1		 1dedB-3vm7A:
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		10 / 12 HIS A 102
TYR A 104
TYR A 182
LEU A 184
ARG A 215
ASP A 217
GLU A 246
HIS A 313
ASP A 314
ARG A 366
 GLC  A 504 ( 3.7A)
ACI  A 505 (-4.1A)
BGC  A 507 (-4.7A)
GLC  A 504 (-4.8A)
ACI  A 505 (-3.3A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
GLC  A 504 (-2.6A)
 0.80A 1dedB-4e2oA:
41.3		 1dedB-4e2oA:
25.40
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		6 / 12 TYR A 105
ARG A 239
GLU A 295
HIS A 368
ASP A 369
ARG A 460
 GLC  A 703 (-3.5A)
GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 ( 4.6A)
 0.84A 1dedB-4hozA:
26.8		 1dedB-4hozA:
24.63
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 5jbe INACTIVE
GLUCANSUCRASE
(Lactobacillus
reuteri) 		7 / 12 TYR A1439
ARG A1013
ASP A1015
ALA A1016
GLU A1053
HIS A1124
ASP A1125
 GLC  A1711 ( 4.4A)
None
None
None
None
None
GLC  A1711 ( 3.2A)
 0.66A 1dedB-5jbeA:
8.6		 1dedB-5jbeA:
24.13
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 5ww1 PULULLANASE
(Paenibacillus
barengoltzii) 		6 / 12 TYR A 259
ARG A 371
ASP A 373
GLU A 402
HIS A 492
ASP A 493
 None
None
None
GLC  A 701 ( 4.8A)
None
GLC  A 701 ( 4.6A)
 0.80A 1dedB-5ww1A:
29.8		 1dedB-5ww1A:
8.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_B_QPSB1501_2
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 9 TYR A  89
TRP A 101
HIS A 140
PHE A 183
LEU A 194
ASP A 196
ASP A 371
 None
BGC  A1696 (-4.2A)
GLC  A1695 (-3.8A)
GLC  A1693 (-4.5A)
None
None
BGC  A1696 (-3.5A)
 0.33A 1dedB-1kclA:
68.6		 1dedB-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_B_QPSB1501_2
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 9 TYR A  89
TRP A 101
HIS A 140
PHE A 183
LEU A 194
ASP A 196
LYS A 232
 None
BGC  A1696 (-4.2A)
GLC  A1695 (-3.8A)
GLC  A1693 (-4.5A)
None
None
GLC  A1693 ( 4.8A)
 0.47A 1dedB-1kclA:
68.6		 1dedB-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_B_QPSB1501_2
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 9 TRP A 102
HIS A 141
PHE A 184
LEU A 195
ASP A 197
LYS A 233
ASP A 371
 GLC  A 695 (-3.9A)
ACI  A 694 (-3.9A)
GLC  A 692 (-4.0A)
None
GOL  A 704 (-3.1A)
GLC  A 692 ( 2.8A)
GLC  A 695 ( 3.0A)
 0.45A 1dedB-3bmwA:
66.5		 1dedB-3bmwA:
68.56
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.
1DMA_B_NCAB700_0
(EXOTOXIN A)		 5jbe INACTIVE
GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 6 GLY A1438
ALA A1424
TYR A1439
GLU A1386
 None
None
GLC  A1711 ( 4.4A)
None
 1.03A 1dmaB-5jbeA:
undetectable		 1dmaB-5jbeA:
12.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DWC_H_MITH1_1
(ALPHA-THROMBIN
(LARGE SUBUNIT))		 4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1
(Ochrobactrum
anthropi) 		5 / 9 HIS A 146
TRP A 252
ASP A 355
TRP A 150
GLY A 358
 GLC  A 501 (-4.4A)
GLC  A 501 (-4.0A)
None
None
None
 1.49A 1dwcH-4r2bA:
undetectable		 1dwcH-4r2bA:
22.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DY4_A_SNPA437_1
(EXOGLUCANASE 1)		 1q2e EXOCELLOBIOHYDROLASE
I
(Trichoderma
reesei) 		10 / 12 ALA A 143
TYR A 145
TYR A 171
ASP A 173
SER A 174
GLN A 175
GLU A 212
ASP A 214
GLU A 217
ASP A 369
 None
None
None
None
None
GLC  A 904 (-3.5A)
None
GLC  A 904 (-3.9A)
GLC  A 904 (-2.9A)
None
 0.30A 1dy4A-1q2eA:
70.9		 1dy4A-1q2eA:
97.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DY4_A_SNPA437_2
(EXOGLUCANASE 1)		 1q2e EXOCELLOBIOHYDROLASE
I
(Trichoderma
reesei) 		5 / 5 HIS A 228
TRP A 367
TYR A 371
ALA A 372
TRP A 376
 GLC  A 904 (-4.0A)
None
None
None
GLC  A 904 (-3.5A)
 0.32A 1dy4A-1q2eA:
70.9		 1dy4A-1q2eA:
97.93
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.
1DZ9_A_CAMA503_0
(CYTOCHROME P450-CAM)		 1b1y PROTEIN
(BETA-AMYLASE)
(Hordeum
vulgare) 		4 / 8 LEU A  84
VAL A  48
THR A 415
ASP A  51
 None
None
None
GLC  A 550 (-3.1A)
 1.15A 1dz9A-1b1yA:
0.0		 1dz9A-1b1yA:
23.56
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.
1EKJ_C_ACTC3004_0
(BETA-CARBONIC
ANHYDRASE)		 1ogo DEXTRANASE
(Talaromyces
minioluteus) 		4 / 6 GLN X 374
TYR X 303
VAL X  85
GLY X  88
 GLC  X1576 (-3.1A)
None
None
None
 1.22A 1ekjC-1ogoX:
undetectable
1ekjD-1ogoX:
undetectable		 1ekjC-1ogoX:
14.69
1ekjD-1ogoX:
14.69
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.
1EKJ_C_ACTC3004_0
(BETA-CARBONIC
ANHYDRASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		4 / 6 GLN A 113
ASP A 440
VAL A 436
GLY A 111
 GLC  A1457 ( 2.8A)
BGC  A2457 ( 2.7A)
BGC  A2457 ( 4.9A)
GLC  A1457 ( 3.5A)
 1.27A 1ekjC-1ua4A:
undetectable
1ekjD-1ua4A:
undetectable		 1ekjC-1ua4A:
19.01
1ekjD-1ua4A:
19.01
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.
1EKJ_C_ACTC3004_0
(BETA-CARBONIC
ANHYDRASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		4 / 6 GLN A 116
ASP A 443
VAL A 439
GLY A 114
 GLC  A 503 (-3.0A)
GLC  A 503 (-2.6A)
GLC  A 503 ( 4.8A)
GLC  A 503 (-3.5A)
 1.28A 1ekjC-5o0jA:
undetectable
1ekjD-5o0jA:
undetectable		 1ekjC-5o0jA:
undetectable
1ekjD-5o0jA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_C_ACTC3007_0
(BETA-CARBONIC
ANHYDRASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		4 / 6 ASP A 440
VAL A 436
GLY A 111
GLN A 113
 BGC  A2457 ( 2.7A)
BGC  A2457 ( 4.9A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 2.8A)
 1.27A 1ekjC-1ua4A:
undetectable
1ekjD-1ua4A:
undetectable		 1ekjC-1ua4A:
19.01
1ekjD-1ua4A:
19.01
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.
1EKJ_C_ACTC3007_0
(BETA-CARBONIC
ANHYDRASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		4 / 6 ASP A 443
VAL A 439
GLY A 114
GLN A 116
 GLC  A 503 (-2.6A)
GLC  A 503 ( 4.8A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.0A)
 1.28A 1ekjC-5o0jA:
undetectable
1ekjD-5o0jA:
undetectable		 1ekjC-5o0jA:
undetectable
1ekjD-5o0jA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_C_ACTC3007_0
(BETA-CARBONIC
ANHYDRASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		4 / 6 ASP A 442
VAL A 438
GLY A 106
GLN A 108
 GLC  A 501 ( 2.6A)
PO4  A 504 ( 4.3A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.1A)
 1.29A 1ekjC-5od2A:
undetectable
1ekjD-5od2A:
undetectable		 1ekjC-5od2A:
undetectable
1ekjD-5od2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ESW_A_ACRA651_1
(AMYLOMALTASE)		 1ose PORCINE
ALPHA-AMYLASE
(Sus
scrofa) 		5 / 12 TYR A  62
GLN A  63
HIS A 201
GLU A 233
HIS A 299
 AC1  A 992 ( 3.6A)
GLC  A 991 ( 3.7A)
AC1  A 992 ( 3.8A)
AC1  A 992 ( 2.7A)
AC1  A 992 ( 3.9A)
 1.14A 1eswA-1oseA:
14.1		 1eswA-1oseA:
22.78
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.
1ESW_A_ACRA651_1
(AMYLOMALTASE)		 1ose PORCINE
ALPHA-AMYLASE
(Sus
scrofa) 		5 / 12 TYR A  62
GLN A  63
HIS A 299
ASP A 300
TRP A  58
 AC1  A 992 ( 3.6A)
GLC  A 991 ( 3.7A)
AC1  A 992 ( 3.9A)
AC1  A 992 (-3.0A)
None
 1.01A 1eswA-1oseA:
14.1		 1eswA-1oseA:
22.78
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.
1ESW_A_ACRA651_1
(AMYLOMALTASE)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		5 / 12 TYR A  62
GLN A  63
HIS A 268
ASP A 269
TRP A  58
 ACI  A 504 ( 3.7A)
GLC  A 503 ( 3.9A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
None
 0.92A 1eswA-1ua7A:
15.1		 1eswA-1ua7A:
19.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ESW_A_ACRA651_1
(AMYLOMALTASE)		 5csu 4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC
(Arabidopsis
thaliana) 		6 / 12 SER A 134
TYR A 136
GLN A 336
HIS A 374
GLU A 420
HIS A 472
 GLC  A 605 ( 2.8A)
HMC  A 606 ( 4.0A)
AGL  A 607 ( 3.6A)
AGL  A 607 ( 3.8A)
AGL  A 607 ( 2.7A)
HMC  A 606 ( 3.8A)
 0.84A 1eswA-5csuA:
48.3		 1eswA-5csuA:
38.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ESW_A_ACRA651_1
(AMYLOMALTASE)		 5csu 4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC
(Arabidopsis
thaliana) 		8 / 12 SER A 134
TYR A 136
GLU A 420
HIS A 472
ASP A 473
ASN A 537
PRO A 539
TRP A 546
 GLC  A 605 ( 2.8A)
HMC  A 606 ( 4.0A)
AGL  A 607 ( 2.7A)
HMC  A 606 ( 3.8A)
HMC  A 606 ( 2.8A)
GLC  A 605 ( 3.7A)
GLC  A 605 ( 3.6A)
None
 0.48A 1eswA-5csuA:
48.3		 1eswA-5csuA:
38.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ESW_A_ACRA651_1
(AMYLOMALTASE)		 5csu 4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC
(Arabidopsis
thaliana) 		6 / 12 SER A 134
TYR A 136
HIS A 374
GLU A 420
HIS A 472
TRP A 546
 GLC  A 605 ( 2.8A)
HMC  A 606 ( 4.0A)
AGL  A 607 ( 3.8A)
AGL  A 607 ( 2.7A)
HMC  A 606 ( 3.8A)
None
 0.71A 1eswA-5csuA:
48.3		 1eswA-5csuA:
38.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GFZ_A_CFFA940_1
(GLYCOGEN
PHOSPHORYLASE)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		4 / 6 HIS A 536
ALA A 575
GLY A 577
TYR A 578
 GLC  A 995 (-4.4A)
GLC  A 995 (-3.5A)
None
GLC  A 995 (-3.8A)
 0.77A 1gfzA-1e4oA:
50.6		 1gfzA-1e4oA:
42.87
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.
1HBP_A_RTLA184_0
(RETINOL BINDING
PROTEIN)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		5 / 11 PHE A 561
ALA A 570
ALA A 574
VAL A 750
GLN A 756
 None
None
GLC  A1010 (-3.5A)
None
None
 1.33A 1hbpA-4okdA:
undetectable		 1hbpA-4okdA:
11.60
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.
1HO5_A_ADNA1604_1
(5'-NUCLEOTIDASE)		 4d47 LEVANSUCRASE
(Erwinia
amylovora) 		5 / 11 ILE A  89
ASN A  74
GLY A 380
ARG A  96
GLY A 379
 None
None
None
GLC  A1416 (-3.2A)
None
 1.47A 1ho5A-4d47A:
undetectable		 1ho5A-4d47A:
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.
1HPK_A_ACAA80_1
(PLASMINOGEN)		 1elj MALTODEXTRIN-BINDING
PROTEIN
(Pyrococcus
furiosus) 		4 / 6 PRO A 157
ASP A 234
ASN A 233
TYR A 210
 None
None
None
GLC  A1001 ( 4.2A)
 1.45A 1hpkA-1eljA:
0.0		 1hpkA-1eljA:
11.20
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.
1HPV_B_478B200_2
(HIV-1 PROTEASE)		 1ogo DEXTRANASE
(Talaromyces
minioluteus) 		5 / 9 ALA X 397
ASP X 395
GLY X 458
ILE X 457
PRO X 489
 None
GLC  X1576 (-2.7A)
None
None
None
 1.05A 1hpvB-1ogoX:
undetectable		 1hpvB-1ogoX:
10.85
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.
1HRK_B_CHDB2503_0
(FERROCHELATASE)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		4 / 4 LEU A 255
PRO A 257
LEU A 144
ARG A 534
 None
None
None
GLC  A 996 (-4.1A)
 1.39A 1hrkB-1e4oA:
0.5		 1hrkB-1e4oA:
18.47
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.
1K4T_D_TTCD990_1
(DNA TOPOISOMERASE I)		 5axh DEXTRANASE
(Thermoanaerobact
er
pseudethanolicus) 		4 / 5 GLU A 451
ARG A 317
LYS A 258
ASP A 266
 GLC  A 702 ( 4.5A)
None
None
None
 1.49A 1k4tA-5axhA:
undetectable		 1k4tA-5axhA:
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.
1K6C_B_MK1B902_2
(POL POLYPROTEIN)		 1ogo DEXTRANASE
(Talaromyces
minioluteus) 		6 / 12 ALA X 397
ASP X 395
GLY X 458
ILE X 457
PRO X 489
THR X 443
 None
GLC  X1576 (-2.7A)
None
None
None
None
 1.34A 1k6cB-1ogoX:
undetectable		 1k6cB-1ogoX:
13.02
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.
1KIA_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 4zze SUGAR BINDING
PROTEIN OF ABC
TRANSPORTER SYSTEM
(Bifidobacterium
animalis) 		5 / 12 GLY A 227
VAL A 230
ALA A 166
SER A 167
TYR A 396
 None
None
None
GLC  A 501 ( 4.6A)
None
 1.40A 1kiaD-4zzeA:
undetectable		 1kiaD-4zzeA:
22.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1KXH_A_ACRA598_1
(ALPHA-AMYLASE)		 1ose PORCINE
ALPHA-AMYLASE
(Sus
scrofa) 		10 / 12 TRP A  58
GLN A  63
HIS A 101
VAL A 163
GLY A 164
ALA A 198
GLU A 233
ILE A 235
ASP A 300
HIS A 305
 None
GLC  A 991 ( 3.7A)
AC1  A 992 ( 3.7A)
AC1  A 990 (-4.3A)
AC1  A 990 (-3.5A)
AC1  A 992 (-3.5A)
AC1  A 992 ( 2.7A)
BGC  A 993 (-3.9A)
AC1  A 992 (-3.0A)
GLC  A 991 ( 4.0A)
 0.46A 1kxhA-1oseA:
50.9		 1kxhA-1oseA:
47.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1KXH_A_ACRA598_1
(ALPHA-AMYLASE)		 1ose PORCINE
ALPHA-AMYLASE
(Sus
scrofa) 		6 / 12 TRP A  58
HIS A 101
GLY A 104
GLU A 233
ASP A 300
HIS A 305
 None
AC1  A 992 ( 3.7A)
AC1  A 990 ( 3.8A)
AC1  A 992 ( 2.7A)
AC1  A 992 (-3.0A)
GLC  A 991 ( 4.0A)
 1.21A 1kxhA-1oseA:
50.9		 1kxhA-1oseA:
47.90
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.
1KXH_A_ACRA598_1
(ALPHA-AMYLASE)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		7 / 12 TRP A  58
GLN A  63
HIS A 102
GLY A 143
ALA A 177
GLU A 208
ASP A 269
 None
GLC  A 503 ( 3.9A)
ACI  A 504 (-4.0A)
ACI  A 501 (-3.6A)
G6D  A 505 (-3.4A)
ACI  A 504 ( 2.9A)
ACI  A 504 ( 2.8A)
 0.43A 1kxhA-1ua7A:
9.6		 1kxhA-1ua7A:
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.
1KXH_A_ACRA598_1
(ALPHA-AMYLASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		5 / 12 TRP A  15
HIS A 107
ALA A 237
GLU A 266
ASP A 333
 None
None
None
None
GLC  A 605 (-3.5A)
 0.68A 1kxhA-2d3lA:
28.7		 1kxhA-2d3lA:
26.22
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.
1KXH_A_ACRA598_1
(ALPHA-AMYLASE)		 3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE
(Sulfolobus
solfataricus) 		5 / 12 TRP A 150
GLY A 216
ALA A 253
GLU A 283
ASP A 377
 None
None
GLC  A 604 (-4.1A)
GLC  A 604 (-2.6A)
GLC  A 604 (-2.7A)
 0.99A 1kxhA-3vgfA:
21.2		 1kxhA-3vgfA:
22.78
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.
1KXH_A_ACRA598_1
(ALPHA-AMYLASE)		 5jbe INACTIVE
GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 VAL A 972
GLY A 973
ALA A1016
GLU A1053
ASP A1125
 None
GLC  A1708 ( 3.5A)
None
None
GLC  A1711 ( 3.2A)
 0.77A 1kxhA-5jbeA:
4.0		 1kxhA-5jbeA:
21.08
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.
1L2I_B_CCSB417_0
(ESTROGEN RECEPTOR)		 4c51 CATALASE-PEROXIDASE
(Mycobacterium
tuberculosis) 		4 / 6 GLU A 454
GLN A 525
LYS A 537
VAL A 450
 None
GLC  A1742 (-3.4A)
None
None
 1.45A 1l2iB-4c51A:
undetectable		 1l2iB-4c51A:
15.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1L5Q_A_CFFA863_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		4 / 6 HIS A 536
ALA A 575
GLY A 577
TYR A 578
 GLC  A 995 (-4.4A)
GLC  A 995 (-3.5A)
None
GLC  A 995 (-3.8A)
 0.83A 1l5qA-1e4oA:
49.9		 1l5qA-1e4oA:
42.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1L5Q_B_CFFB1863_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		4 / 6 HIS A 536
ALA A 575
GLY A 577
TYR A 578
 GLC  A 995 (-4.4A)
GLC  A 995 (-3.5A)
None
GLC  A 995 (-3.8A)
 0.82A 1l5qB-1e4oA:
48.4		 1l5qB-1e4oA:
42.94
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.
1L5Q_B_CFFB1864_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1fbw ENDO-1,4-BETA-GLUCAN
ASE F
([Clostridium]
cellulolyticum) 		3 / 3 TRP A 411
HIS A 320
MET A 414
 GLC  A3101 ( 4.2A)
None
None
 1.35A 1l5qB-1fbwA:
0.0		 1l5qB-1fbwA:
20.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1L7X_A_CFFA863_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		4 / 6 HIS A 536
ALA A 575
GLY A 577
TYR A 578
 GLC  A 995 (-4.4A)
GLC  A 995 (-3.5A)
None
GLC  A 995 (-3.8A)
 0.86A 1l7xA-1e4oA:
48.6		 1l7xA-1e4oA:
42.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1L7X_B_CFFB1863_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		4 / 6 HIS A 536
ALA A 575
GLY A 577
TYR A 578
 GLC  A 995 (-4.4A)
GLC  A 995 (-3.5A)
None
GLC  A 995 (-3.8A)
 0.87A 1l7xB-1e4oA:
48.4		 1l7xB-1e4oA:
42.94
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.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 10 PHE A 355
SER A 446
SER A 375
ASP A 442
THR A 443
 None
None
None
GLC  A 501 ( 2.6A)
None
 1.45A 1m4dA-5od2A:
undetectable		 1m4dA-5od2A:
14.44
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.
1MIC_A_DVAA6_0
(GRAMICIDIN A)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		3 / 3 ALA A 789
VAL A 774
TRP A 757
 None
None
GLC  A1011 ( 4.2A)
 0.91A 1micA-4okdA:
undetectable
1micB-4okdA:
undetectable		 1micA-4okdA:
1.43
1micB-4okdA:
1.43
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 TYR A 100
HIS A 140
ARG A 227
ASP A 229
GLU A 257
HIS A 327
ASP A 328
 GLC  A1695 ( 3.1A)
GLC  A1695 (-3.8A)
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.49A 1mxdA-1kclA:
30.9		 1mxdA-1kclA:
22.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 1w9x ALPHA AMYLASE
(Bacillus
halmapalus) 		9 / 12 TRP A  15
TYR A  58
ARG A 234
ASP A 236
LYS A 239
GLU A 266
TRP A 268
HIS A 332
ASP A 333
 None
AC1  A1492 ( 3.9A)
AC1  A1492 (-3.3A)
AC1  A1492 (-3.0A)
GLC  A1491 (-2.5A)
AC1  A1492 (-2.8A)
None
AC1  A1492 (-3.9A)
AC1  A1492 ( 3.0A)
 0.81A 1mxdA-1w9xA:
39.1		 1mxdA-1w9xA:
32.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 1w9x ALPHA AMYLASE
(Bacillus
halmapalus) 		9 / 12 TRP A  15
TYR A  58
HIS A 107
ARG A 234
ASP A 236
LYS A 239
GLU A 266
HIS A 332
ASP A 333
 None
AC1  A1492 ( 3.9A)
AC1  A1492 (-4.3A)
AC1  A1492 (-3.3A)
AC1  A1492 (-3.0A)
GLC  A1491 (-2.5A)
AC1  A1492 (-2.8A)
AC1  A1492 (-3.9A)
AC1  A1492 ( 3.0A)
 0.33A 1mxdA-1w9xA:
39.1		 1mxdA-1w9xA:
32.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		10 / 12 TRP A  15
TYR A  58
HIS A 107
ARG A 234
ASP A 236
LYS A 239
GLU A 266
TRP A 268
HIS A 332
ASP A 333
 None
GLC  A 605 (-4.8A)
None
None
None
None
None
None
None
GLC  A 605 (-3.5A)
 0.90A 1mxdA-2d3lA:
39.8		 1mxdA-2d3lA:
30.29
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		7 / 12 TYR A 667
HIS A 715
ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 BGC  A2144 (-4.5A)
BGC  A2144 (-4.2A)
None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.58A 1mxdA-2ya1A:
19.0		 1mxdA-2ya1A:
18.88
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		7 / 12 TYR A  81
HIS A 121
ARG A 200
ASP A 202
GLU A 232
HIS A 314
ASP A 315
 GLC  A 603 ( 4.0A)
GLC  A 603 (-4.2A)
GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 0.33A 1mxdA-2z1kA:
28.7		 1mxdA-2z1kA:
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		7 / 12 TYR A  72
HIS A 112
PHE A 178
ARG A 213
ASP A 215
HIS A 351
ASP A 352
 GLC  A 601 (-3.7A)
GLC  A 601 (-4.0A)
GLC  A 601 (-3.4A)
GLC  A 601 (-3.0A)
GLC  A 601 (-2.9A)
GLC  A 601 (-3.9A)
GLC  A 601 (-2.8A)
 0.98A 1mxdA-3axiA:
20.6		 1mxdA-3axiA:
23.98
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		10 / 12 TRP A 131
TYR A 184
HIS A 233
ARG A 348
ASP A 350
LYS A 353
GLU A 380
TRP A 382
HIS A 446
ASP A 447
 None
ACI  A 806 ( 4.0A)
ACI  A 806 (-4.4A)
ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLC  A 808 (-2.9A)
GLD  A 807 ( 2.8A)
GLC  A 808 (-3.8A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 0.43A 1mxdA-3bc9A:
39.8		 1mxdA-3bc9A:
28.50
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		8 / 12 TYR A 101
HIS A 141
ARG A 228
ASP A 230
LYS A 233
GLU A 258
HIS A 328
ASP A 329
 ACI  A 694 ( 4.0A)
ACI  A 694 (-3.9A)
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
GLC  A 692 ( 2.8A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.35A 1mxdA-3bmwA:
30.5		 1mxdA-3bmwA:
23.12
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 3vm7 ALPHA-AMYLASE
(Malbranchea
cinnamomea) 		8 / 12 TYR A 102
HIS A 142
ARG A 223
ASP A 225
LYS A 228
GLU A 249
HIS A 315
ASP A 316
 None
None
None
GLC  A 503 (-3.5A)
GLC  A 503 ( 4.4A)
GLC  A 503 (-2.6A)
None
GLC  A 503 (-3.0A)
 0.40A 1mxdA-3vm7A:
31.7		 1mxdA-3vm7A:
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		7 / 12 TYR A 105
HIS A 145
PHE A 205
ARG A 239
GLU A 295
HIS A 368
ASP A 369
 GLC  A 703 (-3.5A)
GLC  A 703 (-4.3A)
GLC  A 703 (-3.7A)
GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
 1.00A 1mxdA-4hozA:
22.6		 1mxdA-4hozA:
23.53
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		7 / 12 TYR A 331
HIS A 382
ARG A 450
ASP A 452
GLU A 527
HIS A 619
ASP A 620
 GLC  A1001 ( 3.8A)
GLC  A1001 (-4.4A)
GLC  A1001 (-3.3A)
GLC  A1001 (-2.0A)
GLC  A1001 (-3.2A)
GLC  A1001 (-4.0A)
GLC  A1001 (-2.7A)
 0.58A 1mxdA-4okdA:
21.5		 1mxdA-4okdA:
19.69
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 5ww1 PULULLANASE
(Paenibacillus
barengoltzii) 		7 / 12 TYR A 259
HIS A 307
ARG A 371
ASP A 373
GLU A 402
HIS A 492
ASP A 493
 None
None
None
None
GLC  A 701 ( 4.8A)
None
GLC  A 701 ( 4.6A)
 0.48A 1mxdA-5ww1A:
3.9		 1mxdA-5ww1A:
11.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MXG_A_ACRA444_1
(ALPHA AMYLASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		4 / 7 TYR A  16
TRP A  15
TYR A  58
GLY A  50
 None
None
GLC  A 605 (-4.8A)
None
 1.36A 1mxgA-2d3lA:
39.8		 1mxgA-2d3lA:
30.29
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.
1NW5_A_SAMA401_1
(MODIFICATION
METHYLASE RSRI)		 1b1y PROTEIN
(BETA-AMYLASE)
(Hordeum
vulgare) 		3 / 3 ASP A  99
HIS A  91
ASP A  51
 GLC  A 550 (-2.5A)
GLC  A 550 (-3.8A)
GLC  A 550 (-3.1A)
 0.76A 1nw5A-1b1yA:
undetectable		 1nw5A-1b1yA:
21.25
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.
1NW5_A_SAMA401_1
(MODIFICATION
METHYLASE RSRI)		 1ven BETA-AMYLASE
(Bacillus
cereus) 		3 / 3 ASP A  97
HIS A  89
ASP A  49
 GLC  A 900 (-2.8A)
GLC  A 900 (-4.0A)
GLC  A 900 (-2.9A)
 0.76A 1nw5A-1venA:
undetectable		 1nw5A-1venA:
21.13
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 8 TYR A 359
GLU A 257
HIS A 140
TYR A 195
 None
GLC  A1695 ( 2.6A)
GLC  A1695 (-3.8A)
GLC  A1694 (-4.3A)
 1.08A 1nx9A-1kclA:
undetectable		 1nx9A-1kclA:
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 8 TYR A 359
GLU A 257
HIS A 140
TYR A 195
 None
GLC  A1695 ( 2.6A)
GLC  A1695 (-3.8A)
GLC  A1694 (-4.3A)
 1.08A 1nx9B-1kclA:
undetectable		 1nx9B-1kclA:
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 8 TYR A 359
GLU A 257
HIS A 140
TYR A 195
 None
GLC  A1695 ( 2.6A)
GLC  A1695 (-3.8A)
GLC  A1694 (-4.3A)
 1.09A 1nx9C-1kclA:
undetectable		 1nx9C-1kclA:
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 8 TYR A 359
GLU A 257
HIS A 140
TYR A 195
 None
GLC  A1695 ( 2.6A)
GLC  A1695 (-3.8A)
GLC  A1694 (-4.3A)
 1.09A 1nx9D-1kclA:
undetectable		 1nx9D-1kclA:
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.
1ONI_A_BEZA502_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		4 / 6 ASN A  30
ASN A  32
ILE A 116
GLY A 111
 GLC  A1457 (-4.2A)
GLC  A1457 ( 3.5A)
None
GLC  A1457 ( 3.5A)
 0.96A 1oniA-1ua4A:
undetectable
1oniB-1ua4A:
undetectable		 1oniA-1ua4A:
17.55
1oniB-1ua4A:
17.55
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.
1ONI_A_BEZA502_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		4 / 6 ASN A  38
ASN A  40
ILE A 124
GLY A 119
 GLC  A 468 (-4.6A)
GLC  A 468 ( 4.1A)
None
GLC  A 468 (-3.5A)
 0.97A 1oniA-4b8sA:
undetectable
1oniB-4b8sA:
undetectable		 1oniA-4b8sA:
12.97
1oniB-4b8sA:
12.97
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.
1ONI_A_BEZA502_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		4 / 6 ASN A  33
ASN A  35
ILE A 119
GLY A 114
 GLC  A 503 (-4.3A)
GLC  A 503 (-3.4A)
None
GLC  A 503 (-3.5A)
 0.84A 1oniA-5o0jA:
undetectable
1oniB-5o0jA:
0.3		 1oniA-5o0jA:
undetectable
1oniB-5o0jA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_A_BEZA502_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		4 / 6 ASN A  24
ASN A  26
ILE A 111
GLY A 106
 None
GLC  A 501 (-3.8A)
None
GLC  A 501 (-3.2A)
 1.08A 1oniA-5od2A:
undetectable
1oniB-5od2A:
undetectable		 1oniA-5od2A:
undetectable
1oniB-5od2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_D_BEZD508_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		4 / 6 ASN A  30
ASN A  32
ILE A 116
GLY A 111
 GLC  A1457 (-4.2A)
GLC  A1457 ( 3.5A)
None
GLC  A1457 ( 3.5A)
 1.02A 1oniD-1ua4A:
undetectable
1oniF-1ua4A:
undetectable		 1oniD-1ua4A:
17.55
1oniF-1ua4A:
17.55
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.
1ONI_D_BEZD508_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		4 / 6 ASN A  38
ASN A  40
ILE A 124
GLY A 119
 GLC  A 468 (-4.6A)
GLC  A 468 ( 4.1A)
None
GLC  A 468 (-3.5A)
 1.02A 1oniD-4b8sA:
undetectable
1oniF-4b8sA:
undetectable		 1oniD-4b8sA:
12.97
1oniF-4b8sA:
12.97
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.
1ONI_D_BEZD508_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		4 / 6 ASN A  33
ASN A  35
ILE A 119
GLY A 114
 GLC  A 503 (-4.3A)
GLC  A 503 (-3.4A)
None
GLC  A 503 (-3.5A)
 0.90A 1oniD-5o0jA:
undetectable
1oniF-5o0jA:
undetectable		 1oniD-5o0jA:
undetectable
1oniF-5o0jA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6M_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE,
ENDOTHELIAL)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 VAL A 537
ARG A 555
PHE A 615
GLU A 549
 None
GLC  A1008 (-3.1A)
None
None
 1.41A 1p6mA-4okdA:
undetectable
1p6mB-4okdA:
undetectable		 1p6mA-4okdA:
19.20
1p6mB-4okdA:
19.20
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.
1PN0_A_IPHA6012_0
(PHENOL
2-MONOOXYGENASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		5 / 10 ASP A  55
GLY A  57
VAL A  56
MET A 202
TYR A 203
 GLC  A 605 ( 4.7A)
None
None
GLC  A 605 ( 3.5A)
GLC  A 603 (-4.0A)
 1.46A 1pn0A-2d3lA:
undetectable		 1pn0A-2d3lA:
20.95
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.
1PN0_B_IPHB6022_0
(PHENOL
2-MONOOXYGENASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		5 / 10 ASP A  55
GLY A  57
VAL A  56
MET A 202
TYR A 203
 GLC  A 605 ( 4.7A)
None
None
GLC  A 605 ( 3.5A)
GLC  A 603 (-4.0A)
 1.46A 1pn0B-2d3lA:
undetectable		 1pn0B-2d3lA:
20.95
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.
1PN0_C_IPHC6032_0
(PHENOL
2-MONOOXYGENASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		5 / 10 ASP A  55
GLY A  57
VAL A  56
MET A 202
TYR A 203
 GLC  A 605 ( 4.7A)
None
None
GLC  A 605 ( 3.5A)
GLC  A 603 (-4.0A)
 1.44A 1pn0C-2d3lA:
undetectable		 1pn0C-2d3lA:
20.95
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.
1PN0_D_IPHD6042_0
(PHENOL
2-MONOOXYGENASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		5 / 10 ASP A  55
GLY A  57
VAL A  56
MET A 202
TYR A 203
 GLC  A 605 ( 4.7A)
None
None
GLC  A 605 ( 3.5A)
GLC  A 603 (-4.0A)
 1.43A 1pn0D-2d3lA:
undetectable		 1pn0D-2d3lA:
20.95
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.
1QU2_A_MRCA1993_2
(ISOLEUCYL-TRNA
SYNTHETASE)		 1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN
(Escherichia
coli;
Staphylococcus
aureus) 		3 / 3 GLU A 111
TRP A 230
LYS A 273
 GLC  A 672 (-2.7A)
GLC  A 672 (-4.2A)
None
 1.24A 1qu2A-1hsjA:
0.0		 1qu2A-1hsjA:
19.49
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.
1QU2_A_MRCA1993_2
(ISOLEUCYL-TRNA
SYNTHETASE)		 1y4c MALTOSE BINDING
PROTEIN FUSED WITH
DESIGNED HELICAL
PROTEIN
(Escherichia
coli) 		3 / 3 GLU A 111
TRP A 230
LYS A 273
 GLC  A 371 (-2.9A)
GLC  A 371 ( 4.6A)
None
 1.23A 1qu2A-1y4cA:
3.1		 1qu2A-1y4cA:
19.78
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.
1QVT_A_PRLA311_0
(TRANSCRIPTIONAL
REGULATOR QACR)		 5x7h CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Paenibacillus
sp.
598K) 		4 / 8 GLU A 381
TYR A 413
ILE A 569
TYR A 149
 GLC  A 810 ( 2.4A)
None
None
None
 1.11A 1qvtA-5x7hA:
undetectable		 1qvtA-5x7hA:
12.50
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.
1R15_C_NCAC339_0
(ADP-RIBOSYL CYCLASE)		 5dze ENDO-GLUCANASE
(Vitis
vinifera) 		3 / 3 GLU A  93
ASN A  73
TRP A 181
 BGC  A 305 ( 2.5A)
GLC  A 301 (-3.3A)
BGC  A 305 (-3.2A)
 1.02A 1r15C-5dzeA:
undetectable		 1r15C-5dzeA:
18.92
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.
1R15_D_NCAD349_0
(ADP-RIBOSYL CYCLASE)		 5dze ENDO-GLUCANASE
(Vitis
vinifera) 		3 / 3 GLU A  93
ASN A  73
TRP A 181
 BGC  A 305 ( 2.5A)
GLC  A 301 (-3.3A)
BGC  A 305 (-3.2A)
 1.00A 1r15D-5dzeA:
undetectable		 1r15D-5dzeA:
18.92
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.
1R15_E_NCAE359_0
(ADP-RIBOSYL CYCLASE)		 5dze ENDO-GLUCANASE
(Vitis
vinifera) 		3 / 3 GLU A  93
ASN A  73
TRP A 181
 BGC  A 305 ( 2.5A)
GLC  A 301 (-3.3A)
BGC  A 305 (-3.2A)
 1.03A 1r15E-5dzeA:
undetectable		 1r15E-5dzeA:
18.92
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.
1R15_F_NCAF369_0
(ADP-RIBOSYL CYCLASE)		 5dze ENDO-GLUCANASE
(Vitis
vinifera) 		3 / 3 GLU A  93
ASN A  73
TRP A 181
 BGC  A 305 ( 2.5A)
GLC  A 301 (-3.3A)
BGC  A 305 (-3.2A)
 1.00A 1r15F-5dzeA:
undetectable		 1r15F-5dzeA:
18.92
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.
1RI4_A_SAMA299_0
(MRNA CAPPING ENZYME)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A 119
GLY A 152
ALA A  70
SER A  97
TYR A  96
 None
None
GLC  A1769 (-3.5A)
None
XYS  A1774 ( 4.7A)
 1.21A 1ri4A-2cn3A:
undetectable		 1ri4A-2cn3A:
17.41
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.
1RS6_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1mpo MALTOPORIN
(Escherichia
coli) 		4 / 8 ARG A 109
GLN A  87
ASN A  63
ASP A  61
 GLC  A 432 (-3.3A)
None
None
None
 1.31A 1rs6A-1mpoA:
0.0		 1rs6A-1mpoA:
20.46
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.
1RS6_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2mpr MALTOPORIN
(Salmonella
enterica) 		4 / 8 ARG A 109
GLN A  87
ASN A  63
ASP A  61
 GLC  A 429 ( 3.0A)
None
None
None
 1.25A 1rs6A-2mprA:
undetectable		 1rs6A-2mprA:
21.94
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.
1RS6_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		4 / 8 TRP A 164
GLU A 206
ARG A 200
TRP A 234
 GLC  A 502 ( 3.8A)
GLC  A 503 ( 3.3A)
GLC  A 603 (-3.4A)
GLC  A 501 (-3.4A)
 1.40A 1rs6A-2z1kA:
undetectable
1rs6B-2z1kA:
undetectable		 1rs6A-2z1kA:
21.09
1rs6B-2z1kA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS6_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1mpo MALTOPORIN
(Escherichia
coli) 		4 / 8 ARG A 109
GLN A  87
ASN A  63
ASP A  61
 GLC  A 432 (-3.3A)
None
None
None
 1.20A 1rs6B-1mpoA:
undetectable		 1rs6B-1mpoA:
20.46
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.
1RS6_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2mpr MALTOPORIN
(Salmonella
enterica) 		4 / 8 ARG A 109
GLN A  87
ASN A  63
ASP A  61
 GLC  A 429 ( 3.0A)
None
None
None
 1.13A 1rs6B-2mprA:
undetectable		 1rs6B-2mprA:
21.94
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.
1RS9_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE,
ENDOTHELIAL)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 PHE A 615
GLU A 549
VAL A 537
ARG A 555
 None
None
None
GLC  A1008 (-3.1A)
 1.38A 1rs9A-4okdA:
undetectable
1rs9B-4okdA:
undetectable		 1rs9A-4okdA:
19.22
1rs9B-4okdA:
19.22
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.
1S14_A_NOVA1300_1
(TOPOISOMERASE IV
SUBUNIT B)		 4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1
(Ochrobactrum
anthropi) 		5 / 12 ASN A 303
SER A 377
ASP A 201
ARG A 292
THR A 198
 GLC  A 501 (-3.9A)
None
None
None
None
 1.34A 1s14A-4r2bA:
undetectable		 1s14A-4r2bA:
18.02
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.
1S1X_A_NVPA999_1
(REVERSE
TRANSCRIPTASE)		 5ww1 PULULLANASE
(Paenibacillus
barengoltzii) 		4 / 8 LEU A 658
VAL A 692
GLY A 651
TRP A 646
 None
None
GLC  A 709 (-3.4A)
None
 0.89A 1s1xA-5ww1A:
undetectable		 1s1xA-5ww1A:
8.75
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.
1SG9_A_SAMA301_1
(HEMK PROTEIN)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		4 / 4 THR A 196
GLY A 441
ASP A 442
ALA A 274
 None
PO4  A 504 (-3.3A)
GLC  A 501 ( 2.6A)
GLC  A 501 ( 4.3A)
 1.04A 1sg9A-5od2A:
3.9		 1sg9A-5od2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UW6_A_NCTA1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 1ven BETA-AMYLASE
(Bacillus
cereus) 		4 / 8 TYR A 178
CYH A 331
TRP A 293
LEU A 349
 GLC  A 903 (-4.5A)
None
None
None
 1.39A 1uw6A-1venA:
undetectable
1uw6B-1venA:
undetectable		 1uw6A-1venA:
17.63
1uw6B-1venA:
17.63
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.
1UW6_D_NCTD1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 1ven BETA-AMYLASE
(Bacillus
cereus) 		4 / 8 TYR A 178
CYH A 331
TRP A 293
LEU A 349
 GLC  A 903 (-4.5A)
None
None
None
 1.35A 1uw6D-1venA:
undetectable
1uw6E-1venA:
undetectable		 1uw6D-1venA:
17.63
1uw6E-1venA:
17.63
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.
1UW6_T_NCTT1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 1ven BETA-AMYLASE
(Bacillus
cereus) 		4 / 8 TRP A 293
LEU A 349
TYR A 178
CYH A 331
 None
None
GLC  A 903 (-4.5A)
None
 1.31A 1uw6P-1venA:
undetectable
1uw6T-1venA:
undetectable		 1uw6P-1venA:
17.63
1uw6T-1venA:
17.63
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.
1UYU_A_CAMA1416_0
(CYTOCHROME P450-CAM)		 1b1y PROTEIN
(BETA-AMYLASE)
(Hordeum
vulgare) 		4 / 8 LEU A  84
VAL A  48
THR A 415
ASP A  51
 None
None
None
GLC  A 550 (-3.1A)
 1.15A 1uyuA-1b1yA:
undetectable		 1uyuA-1b1yA:
23.56
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.
1V2X_A_SAMA400_0
(TRNA (GM18)
METHYLTRANSFERASE)		 1n3p LECTIN PAL
(Pterocarpus
angolensis) 		6 / 12 GLY A 105
GLY A 220
ILE A  88
LEU A  33
VAL A  47
ALA A 217
 GLC  A 253 ( 3.8A)
GLC  A 253 (-3.1A)
None
None
None
None
 1.42A 1v2xA-1n3pA:
undetectable		 1v2xA-1n3pA:
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.
1VE9_A_BEZA352_0
(D-AMINO ACID OXIDASE)		 1fbw ENDO-1,4-BETA-GLUCAN
ASE F
([Clostridium]
cellulolyticum) 		4 / 5 TYR A 382
TYR A 275
ILE A 314
GLY A 380
 None
GLC  A3095 (-4.7A)
GLC  A3095 ( 4.6A)
None
 1.34A 1ve9A-1fbwA:
undetectable		 1ve9A-1fbwA:
20.16
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.
1WG8_A_SAMA3142_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 1n3p LECTIN PAL
(Pterocarpus
angolensis) 		5 / 12 PRO A 113
GLY A 105
GLY A 104
GLY A 102
GLN A 222
 None
GLC  A 253 ( 3.8A)
None
None
FRU  A 254 (-4.7A)
 1.23A 1wg8A-1n3pA:
undetectable		 1wg8A-1n3pA:
21.31
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.
1WSV_A_THHA3001_1
(AMINOMETHYLTRANSFERA
SE)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		3 / 3 ASP A 451
GLU A 308
TYR A 354
 GLC  A 468 (-2.9A)
GOL  A1468 (-2.9A)
AMP  A1472 ( 4.0A)
 0.79A 1wsvA-4b8sA:
undetectable		 1wsvA-4b8sA:
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.
1XF1_B_ACTB1108_0
(C5A PEPTIDASE)		 2c3w ALPHA-AMYLASE G-6
(Bacillus
halodurans) 		4 / 6 GLY A  39
HIS A  24
ASN A  68
ILE A  25
 None
GLC  A1107 ( 4.4A)
None
None
 0.86A 1xf1B-2c3wA:
undetectable		 1xf1B-2c3wA:
8.41
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.
1XOQ_B_ROFB501_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 1bdg HEXOKINASE
(Schistosoma
mansoni) 		3 / 3 MET A  43
ASN A 235
GLN A 291
 None
GLC  A 501 (-3.8A)
GLC  A 501 ( 4.2A)
 1.03A 1xoqB-1bdgA:
undetectable		 1xoqB-1bdgA:
21.89
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.
1XOQ_B_ROFB501_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 2nzt HEXOKINASE-2
(Homo
sapiens) 		3 / 3 MET A 491
ASN A 683
GLN A 739
 None
GLC  A1003 (-3.6A)
GLC  A1003 (-4.3A)
 0.82A 1xoqB-2nztA:
undetectable		 1xoqB-2nztA:
16.89
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.
1XOQ_B_ROFB501_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3h1v GLUCOKINASE
(Homo
sapiens) 		3 / 3 MET X  37
ASN X 231
GLN X 287
 None
GLC  X 500 (-3.8A)
GLC  X 500 (-4.2A)
 0.90A 1xoqB-3h1vX:
undetectable		 1xoqB-3h1vX:
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.
1XOQ_B_ROFB501_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3hm8 HEXOKINASE-3
(Homo
sapiens) 		3 / 3 MET A 504
ASN A 689
GLN A 745
 None
GLC  A1001 (-3.8A)
GLC  A1001 (-3.8A)
 0.93A 1xoqB-3hm8A:
undetectable		 1xoqB-3hm8A:
23.13
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.
1XPQ_C_SPMC921_1
(FMS1 PROTEIN)		 2osy ENDOGLYCOCERAMIDASE
II
(Rhodococcus
sp.) 		5 / 11 ASN A 232
LEU A 286
LEU A 249
TYR A 301
CYH A 302
 GLC  A 600 (-2.7A)
None
None
None
None
 1.32A 1xpqC-2osyA:
0.0		 1xpqC-2osyA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YKI_A_NFZA1219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 5n6v AMYLOSUCRASE
(Neisseria
polysaccharea) 		4 / 8 PHE A 417
GLY A 411
THR A 398
PHE A 399
 GLC  A 704 ( 4.0A)
None
None
None
 1.08A 1ykiA-5n6vA:
undetectable
1ykiB-5n6vA:
undetectable		 1ykiA-5n6vA:
14.88
1ykiB-5n6vA:
14.88
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.
1YKI_C_NFZC3219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 5n6v AMYLOSUCRASE
(Neisseria
polysaccharea) 		4 / 8 PHE A 417
GLY A 411
THR A 398
PHE A 399
 GLC  A 704 ( 4.0A)
None
None
None
 1.07A 1ykiC-5n6vA:
undetectable
1ykiD-5n6vA:
undetectable		 1ykiC-5n6vA:
14.88
1ykiD-5n6vA:
14.88
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.
1YKI_D_NFZD4219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 5n6v AMYLOSUCRASE
(Neisseria
polysaccharea) 		4 / 8 THR A 398
PHE A 399
PHE A 417
GLY A 411
 None
None
GLC  A 704 ( 4.0A)
None
 1.09A 1ykiC-5n6vA:
undetectable
1ykiD-5n6vA:
undetectable		 1ykiC-5n6vA:
14.88
1ykiD-5n6vA:
14.88
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.
1ZZQ_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1mpo MALTOPORIN
(Escherichia
coli) 		4 / 8 ARG A 109
GLN A  87
ASN A  63
ASP A  61
 GLC  A 432 (-3.3A)
None
None
None
 1.31A 1zzqA-1mpoA:
0.0		 1zzqA-1mpoA:
21.06
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.
1ZZQ_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2mpr MALTOPORIN
(Salmonella
enterica) 		4 / 8 ARG A 109
GLN A  87
ASN A  63
ASP A  61
 GLC  A 429 ( 3.0A)
None
None
None
 1.25A 1zzqA-2mprA:
undetectable		 1zzqA-2mprA:
21.94
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.
1ZZQ_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1mpo MALTOPORIN
(Escherichia
coli) 		4 / 8 ARG A 109
GLN A  87
ASN A  63
ASP A  61
 GLC  A 432 (-3.3A)
None
None
None
 1.18A 1zzqB-1mpoA:
0.0		 1zzqB-1mpoA:
21.06
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.
1ZZQ_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2mpr MALTOPORIN
(Salmonella
enterica) 		4 / 8 ARG A 109
GLN A  87
ASN A  63
ASP A  61
 GLC  A 429 ( 3.0A)
None
None
None
 1.11A 1zzqB-2mprA:
undetectable		 1zzqB-2mprA:
21.94
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.
2AVV_E_MK1E902_2
(POL POLYPROTEIN)		 1ogo DEXTRANASE
(Talaromyces
minioluteus) 		3 / 3 ASP X 395
ILE X 421
VAL X 389
 GLC  X1576 (-2.7A)
None
None
 0.69A 2avvD-1ogoX:
undetectable		 2avvD-1ogoX:
12.12
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.
2C49_B_ADNB1301_1
(SUGAR KINASE MJ0406)		 2xd3 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN
(Streptococcus
pneumoniae) 		5 / 7 ALA A 252
ASP A 192
GLY A 253
GLY A 251
PHE A 392
 GLC  A1423 (-4.6A)
GLC  A1423 (-3.2A)
GLC  A1423 (-3.3A)
GLC  A1423 (-3.4A)
None
 1.31A 2c49B-2xd3A:
undetectable		 2c49B-2xd3A:
22.43
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.
2DRD_A_MIYA2001_1
(ACRB)		 1ogo DEXTRANASE
(Talaromyces
minioluteus) 		5 / 9 GLY X 377
GLU X 379
ASN X 348
ALA X 370
PHE X 373
 None
None
None
None
GLC  X1576 ( 4.1A)
 1.28A 2drdA-1ogoX:
undetectable		 2drdA-1ogoX:
20.30
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.
2DTT_C_H4BC1002_1
(HYPOTHETICAL PROTEIN
PH0634)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		4 / 6 TYR A 105
ASP A 102
PHE A 205
THR A 242
 GLC  A 703 (-3.5A)
GLC  A 703 (-2.7A)
GLC  A 703 (-3.7A)
None
 1.15A 2dttB-4hozA:
undetectable
2dttC-4hozA:
undetectable		 2dttB-4hozA:
14.29
2dttC-4hozA:
14.29
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.
2DU8_G_BEZG2352_0
(D-AMINO-ACID OXIDASE)		 1fbw ENDO-1,4-BETA-GLUCAN
ASE F
([Clostridium]
cellulolyticum) 		4 / 5 TYR A 382
TYR A 275
ILE A 314
GLY A 380
 None
GLC  A3095 (-4.7A)
GLC  A3095 ( 4.6A)
None
 1.35A 2du8G-1fbwA:
undetectable		 2du8G-1fbwA:
17.94
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.
2DU8_J_BEZJ3352_0
(D-AMINO-ACID OXIDASE)		 1fbw ENDO-1,4-BETA-GLUCAN
ASE F
([Clostridium]
cellulolyticum) 		4 / 5 TYR A 382
TYR A 275
ILE A 314
GLY A 380
 None
GLC  A3095 (-4.7A)
GLC  A3095 ( 4.6A)
None
 1.31A 2du8J-1fbwA:
undetectable		 2du8J-1fbwA:
17.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ECP_A_ACRA992_1
(MALTODEXTRIN
PHOSPHORYLASE)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		8 / 10 ASN A 112
LEU A 115
TYR A 256
ASP A 259
ARG A 268
ARG A 534
HIS A 536
ALA A 575
 GLC  A 996 (-3.5A)
GLC  A 997 (-3.8A)
GLC  A 996 (-3.8A)
GLC  A 995 ( 4.4A)
GLC  A 995 (-3.3A)
GLC  A 996 (-4.1A)
GLC  A 995 (-4.4A)
GLC  A 995 (-3.5A)
 0.88A 2ecpA-1e4oA:
59.5		 2ecpA-1e4oA:
98.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ECP_A_ACRA992_1
(MALTODEXTRIN
PHOSPHORYLASE)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		9 / 10 ASN A 112
LEU A 115
TYR A 256
ASP A 259
ARG A 268
ASP A 307
HIS A 309
ARG A 534
ALA A 575
 GLC  A 996 (-3.5A)
GLC  A 997 (-3.8A)
GLC  A 996 (-3.8A)
GLC  A 995 ( 4.4A)
GLC  A 995 (-3.3A)
GLC  A 997 (-3.6A)
GLC  A 996 (-4.0A)
GLC  A 996 (-4.1A)
GLC  A 995 (-3.5A)
 0.84A 2ecpA-1e4oA:
59.5		 2ecpA-1e4oA:
98.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ECP_A_ACRA992_1
(MALTODEXTRIN
PHOSPHORYLASE)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		8 / 10 ASN A 180
LEU A 183
TYR A 329
ASP A 332
ARG A 341
ASP A 383
HIS A 385
HIS A 701
 None
GLC  A1001 (-4.3A)
None
None
None
None
None
None
 0.52A 2ecpA-5lrbA:
51.4		 2ecpA-5lrbA:
39.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ECP_A_ACRA992_1
(MALTODEXTRIN
PHOSPHORYLASE)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		8 / 10 ASN A 180
TYR A 329
ASP A 332
ARG A 341
ASP A 383
HIS A 385
ARG A 699
HIS A 701
 None
None
None
None
None
None
GLC  A1001 ( 4.9A)
None
 0.78A 2ecpA-5lrbA:
51.4		 2ecpA-5lrbA:
39.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ECP_B_ACRB992_1
(MALTODEXTRIN
PHOSPHORYLASE)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		8 / 10 ASN A 112
LEU A 115
TYR A 256
ASP A 259
ARG A 268
ARG A 534
HIS A 536
ALA A 575
 GLC  A 996 (-3.5A)
GLC  A 997 (-3.8A)
GLC  A 996 (-3.8A)
GLC  A 995 ( 4.4A)
GLC  A 995 (-3.3A)
GLC  A 996 (-4.1A)
GLC  A 995 (-4.4A)
GLC  A 995 (-3.5A)
 0.90A 2ecpB-1e4oA:
60.2		 2ecpB-1e4oA:
98.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ECP_B_ACRB992_1
(MALTODEXTRIN
PHOSPHORYLASE)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		9 / 10 ASN A 112
LEU A 115
TYR A 256
ASP A 259
ARG A 268
ASP A 307
HIS A 309
ARG A 534
ALA A 575
 GLC  A 996 (-3.5A)
GLC  A 997 (-3.8A)
GLC  A 996 (-3.8A)
GLC  A 995 ( 4.4A)
GLC  A 995 (-3.3A)
GLC  A 997 (-3.6A)
GLC  A 996 (-4.0A)
GLC  A 996 (-4.1A)
GLC  A 995 (-3.5A)
 0.87A 2ecpB-1e4oA:
60.2		 2ecpB-1e4oA:
98.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ECP_B_ACRB992_1
(MALTODEXTRIN
PHOSPHORYLASE)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		9 / 10 ASN A 180
LEU A 183
TYR A 329
ASP A 332
ARG A 341
ASP A 383
HIS A 385
ARG A 699
HIS A 701
 None
GLC  A1001 (-4.3A)
None
None
None
None
None
GLC  A1001 ( 4.9A)
None
 0.73A 2ecpB-5lrbA:
52.0		 2ecpB-5lrbA:
39.02
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.
2F8L_A_SAMA400_0
(HYPOTHETICAL PROTEIN
LMO1582)		 5x7h CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Paenibacillus
sp.
598K) 		5 / 12 ALA A 365
GLY A 363
VAL A 357
ASP A 358
PHE A 331
 None
None
GLC  A 810 ( 4.9A)
None
None
 0.94A 2f8lA-5x7hA:
undetectable		 2f8lA-5x7hA:
19.11
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.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 8 THR A 383
GLU A 313
THR A 333
VAL A 202
 None
GLC  A1006 (-4.7A)
None
None
 1.13A 2fb2A-4okdA:
3.2		 2fb2A-4okdA:
16.75
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.
2FQY_A_ADNA400_1
(MEMBRANE LIPOPROTEIN
TMPC)		 4c51 CATALASE-PEROXIDASE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 573
GLY A 495
GLY A 570
VAL A 739
ASP A 738
 GLC  A1742 (-3.5A)
None
None
None
None
 1.31A 2fqyA-4c51A:
undetectable		 2fqyA-4c51A:
17.96
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.
2G6H_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		4 / 8 ARG A 200
TRP A 234
TRP A 164
GLU A 206
 GLC  A 603 (-3.4A)
GLC  A 501 (-3.4A)
GLC  A 502 ( 3.8A)
GLC  A 503 ( 3.3A)
 1.32A 2g6hA-2z1kA:
undetectable
2g6hB-2z1kA:
undetectable		 2g6hA-2z1kA:
21.49
2g6hB-2z1kA:
21.49
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.
2HA4_A_ACHA546_0
(ACETYLCHOLINESTERASE)		 5x3j GLYCOSIDE HYDROLASE
FAMILY 31
(Kribbella
flavida) 		4 / 8 TYR A 191
GLU A 314
HIS A 575
GLY A 285
 GLC  A 819 ( 4.3A)
GLC  A 822 ( 2.6A)
GLC  A 822 ( 4.0A)
None
 1.12A 2ha4A-5x3jA:
undetectable		 2ha4A-5x3jA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA4_B_ACHB603_0
(ACETYLCHOLINESTERASE)		 5x3j GLYCOSIDE HYDROLASE
FAMILY 31
(Kribbella
flavida) 		4 / 7 TYR A 191
GLU A 314
HIS A 575
GLY A 285
 GLC  A 819 ( 4.3A)
GLC  A 822 ( 2.6A)
GLC  A 822 ( 4.0A)
None
 1.10A 2ha4B-5x3jA:
undetectable		 2ha4B-5x3jA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HMA_A_SAMA375_0
(PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		5 / 11 GLY A 114
ASP A 658
THR A 641
GLY A 642
GLN A 630
 PLP  A 999 ( 3.6A)
None
GLC  A 998 ( 4.0A)
PLP  A 999 (-3.4A)
None
 1.42A 2hmaA-1e4oA:
1.3		 2hmaA-1e4oA:
17.75
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.
2HMA_A_SAMA375_0
(PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE)		 2j44 ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 11 GLY A  43
SER A  37
ASP A  86
ASN A  82
GLY A  26
 None
None
GLC  A1230 (-2.7A)
GLC  A1229 ( 4.6A)
None
 1.48A 2hmaA-2j44A:
undetectable		 2hmaA-2j44A:
22.40
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.
2HRC_A_CHDA703_0
(FERROCHELATASE)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		4 / 4 LEU A 255
PRO A 257
LEU A 144
ARG A 534
 None
None
None
GLC  A 996 (-4.1A)
 1.39A 2hrcA-1e4oA:
2.0		 2hrcA-1e4oA:
18.47
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.
2HRC_B_CHDB1604_0
(FERROCHELATASE)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		4 / 4 LEU A 255
PRO A 257
LEU A 144
ARG A 534
 None
None
None
GLC  A 996 (-4.1A)
 1.40A 2hrcB-1e4oA:
3.4		 2hrcB-1e4oA:
18.47
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.
2IGT_C_SAMC1003_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		4 / 4 ASP A  42
ASP A 451
ASP A 211
GLY A 123
 GLC  A 468 (-2.7A)
GLC  A 468 (-2.9A)
None
None
 1.39A 2igtC-4b8sA:
3.8		 2igtC-4b8sA:
21.92
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.
2IGT_C_SAMC1003_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 5dze ENDO-GLUCANASE
(Vitis
vinifera) 		4 / 4 ASP A  88
ASP A  91
ASP A  84
GLY A 112
 None
GLC  A 301 ( 2.8A)
None
None
 1.42A 2igtC-5dzeA:
undetectable		 2igtC-5dzeA:
19.54
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.
2J0D_A_ERYA1498_0
(CYTOCHROME P450 3A4)		 4fch OUTER MEMBRANE
PROTEIN SUSE
(Bacteroides
thetaiotaomicron) 		5 / 12 PHE A 352
ARG A 326
ILE A 375
ARG A 350
GLU A 339
 None
GLC  A 405 ( 2.7A)
None
GLC  A 406 (-3.0A)
None
 1.13A 2j0dA-4fchA:
undetectable		 2j0dA-4fchA:
19.96
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.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		5 / 12 SER A 287
TRP A 249
GLY A 232
PHE A 262
VAL A 103
 GLC  A 632 ( 4.2A)
None
None
GLC  A 632 (-4.1A)
None
 1.35A 2kceA-2d3lA:
undetectable		 2kceA-2d3lA:
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.
2KCE_A_D16A566_2
(THYMIDYLATE SYNTHASE)		 1ven BETA-AMYLASE
(Bacillus
cereus) 		3 / 3 HIS A  89
ILE A 103
LEU A 145
 GLC  A 900 (-4.0A)
None
None
 0.72A 2kceA-1venA:
undetectable		 2kceA-1venA:
18.63
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.
2KOT_A_ANWA99_0
(PROTEIN S100-A13)		 5f7v LMO0181 PROTEIN
(Listeria
monocytogenes) 		4 / 7 VAL A 195
THR A 196
THR A 386
LYS A 392
 None
GLC  A 501 ( 4.9A)
None
None
 1.16A 2kotA-5f7vA:
undetectable		 2kotA-5f7vA:
15.54
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.
2KOT_B_ANWB99_0
(PROTEIN S100-A13)		 5f7v LMO0181 PROTEIN
(Listeria
monocytogenes) 		4 / 8 VAL A 195
THR A 196
THR A 386
LYS A 392
 None
GLC  A 501 ( 4.9A)
None
None
 1.10A 2kotB-5f7vA:
undetectable		 2kotB-5f7vA:
15.54
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.
2NNH_A_9CRA502_1
(CYTOCHROME P450 2C8)		 2bvm TOXIN B
(Clostridioides
difficile) 		5 / 12 SER A 393
SER A 396
ILE A 399
ASN A 384
LEU A 387
 None
None
None
GLC  A1544 (-3.8A)
None
 1.01A 2nnhA-2bvmA:
undetectable		 2nnhA-2bvmA:
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.
2NSI_A_H4BA600_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		4 / 7 ARG A 200
ILE A 233
TRP A 234
GLU A 206
 GLC  A 603 (-3.4A)
None
GLC  A 501 (-3.4A)
GLC  A 503 ( 3.3A)
 1.13A 2nsiA-2z1kA:
undetectable
2nsiB-2z1kA:
undetectable		 2nsiA-2z1kA:
20.83
2nsiB-2z1kA:
20.83
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.
2OWC_A_ACRA600_1
(4-ALPHA-GLUCANOTRANS
FERASE)		 1ose PORCINE
ALPHA-AMYLASE
(Sus
scrofa) 		6 / 11 TYR A  62
GLN A  63
ASP A 197
HIS A 299
ASP A 300
TRP A  58
 AC1  A 992 ( 3.6A)
GLC  A 991 ( 3.7A)
AC1  A 992 ( 3.3A)
AC1  A 992 ( 3.9A)
AC1  A 992 (-3.0A)
None
 0.97A 2owcA-1oseA:
13.4		 2owcA-1oseA:
23.22
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.
2OWC_A_ACRA600_1
(4-ALPHA-GLUCANOTRANS
FERASE)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		6 / 11 TYR A  62
GLN A  63
ASP A 176
HIS A 268
ASP A 269
TRP A  58
 ACI  A 504 ( 3.7A)
GLC  A 503 ( 3.9A)
ACI  A 504 (-3.0A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
None
 0.88A 2owcA-1ua7A:
14.5		 2owcA-1ua7A:
19.69
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.
2OWC_A_ACRA600_1
(4-ALPHA-GLUCANOTRANS
FERASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		5 / 11 TYR A  58
ASP A 236
HIS A 332
ASP A 333
TRP A  15
 GLC  A 605 (-4.8A)
None
None
GLC  A 605 (-3.5A)
None
 0.93A 2owcA-2d3lA:
15.3		 2owcA-2d3lA:
21.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OWC_A_ACRA600_1
(4-ALPHA-GLUCANOTRANS
FERASE)		 5csu 4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC
(Arabidopsis
thaliana) 		10 / 11 SER A 134
TYR A 136
GLN A 336
TRP A 338
ASP A 373
HIS A 472
ASP A 473
ASN A 537
PRO A 539
TRP A 546
 GLC  A 605 ( 2.8A)
HMC  A 606 ( 4.0A)
AGL  A 607 ( 3.6A)
HMC  A 606 ( 3.6A)
HMC  A 606 ( 3.0A)
HMC  A 606 ( 3.8A)
HMC  A 606 ( 2.8A)
GLC  A 605 ( 3.7A)
GLC  A 605 ( 3.6A)
None
 0.71A 2owcA-5csuA:
49.3		 2owcA-5csuA:
38.21
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.
2OWW_A_ACRA600_1
(4-ALPHA-GLUCANOTRANS
FERASE)		 1ose PORCINE
ALPHA-AMYLASE
(Sus
scrofa) 		6 / 11 TYR A  62
GLN A  63
ASP A 197
HIS A 299
ASP A 300
TRP A  58
 AC1  A 992 ( 3.6A)
GLC  A 991 ( 3.7A)
AC1  A 992 ( 3.3A)
AC1  A 992 ( 3.9A)
AC1  A 992 (-3.0A)
None
 0.97A 2owwA-1oseA:
13.4		 2owwA-1oseA:
23.22
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.
2OWW_A_ACRA600_1
(4-ALPHA-GLUCANOTRANS
FERASE)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		6 / 11 TYR A  62
GLN A  63
ASP A 176
HIS A 268
ASP A 269
TRP A  58
 ACI  A 504 ( 3.7A)
GLC  A 503 ( 3.9A)
ACI  A 504 (-3.0A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
None
 0.89A 2owwA-1ua7A:
3.5		 2owwA-1ua7A:
19.69
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.
2OWW_A_ACRA600_1
(4-ALPHA-GLUCANOTRANS
FERASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		5 / 11 TYR A  58
ASP A 236
HIS A 332
ASP A 333
TRP A  15
 GLC  A 605 (-4.8A)
None
None
GLC  A 605 (-3.5A)
None
 0.95A 2owwA-2d3lA:
15.3		 2owwA-2d3lA:
21.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OWW_A_ACRA600_1
(4-ALPHA-GLUCANOTRANS
FERASE)		 5csu 4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC
(Arabidopsis
thaliana) 		10 / 11 SER A 134
TYR A 136
GLN A 336
TRP A 338
ASP A 373
HIS A 472
ASP A 473
ASN A 537
PRO A 539
TRP A 546
 GLC  A 605 ( 2.8A)
HMC  A 606 ( 4.0A)
AGL  A 607 ( 3.6A)
HMC  A 606 ( 3.6A)
HMC  A 606 ( 3.0A)
HMC  A 606 ( 3.8A)
HMC  A 606 ( 2.8A)
GLC  A 605 ( 3.7A)
GLC  A 605 ( 3.6A)
None
 0.52A 2owwA-5csuA:
50.0		 2owwA-5csuA:
38.21
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
ALA A 268
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
BGC  A2457 ( 4.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.95A 2pkkA-1ua4A:
19.2		 2pkkA-1ua4A:
23.11
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.37A 2pkkA-1ua4A:
19.2		 2pkkA-1ua4A:
23.11
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
GLY A 448
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
GLC  A 468 ( 4.0A)
GLC  A 468 (-2.9A)
 0.36A 2pkkA-4b8sA:
17.9		 2pkkA-4b8sA:
22.60
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
GLY A 440
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
GLC  A 503 ( 4.1A)
GLC  A 503 (-2.6A)
 0.34A 2pkkA-5o0jA:
19.3		 2pkkA-5o0jA:
14.02
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
ALA A 274
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 ( 4.3A)
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 1.02A 2pkkA-5od2A:
17.1		 2pkkA-5od2A:
12.12
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 0.36A 2pkkA-5od2A:
17.1		 2pkkA-5od2A:
12.12
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.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.37A 2pkmA-1ua4A:
19.0		 2pkmA-1ua4A:
23.11
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.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
GLY A 448
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
GLC  A 468 ( 4.0A)
GLC  A 468 (-2.9A)
 0.36A 2pkmA-4b8sA:
17.7		 2pkmA-4b8sA:
22.60
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.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
GLY A 440
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
GLC  A 503 ( 4.1A)
GLC  A 503 (-2.6A)
 0.35A 2pkmA-5o0jA:
undetectable		 2pkmA-5o0jA:
14.02
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.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 0.37A 2pkmA-5od2A:
4.2		 2pkmA-5od2A:
12.12
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.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		4 / 7 TYR A 252
ASP A 202
TYR A  81
HIS A 314
 None
GLC  A 603 (-2.6A)
GLC  A 603 ( 4.0A)
GLC  A 603 (-4.0A)
 1.41A 2pncA-2z1kA:
undetectable		 2pncA-2z1kA:
23.27
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.
2PNJ_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		4 / 4 LEU A 255
PRO A 257
LEU A 144
ARG A 534
 None
None
None
GLC  A 996 (-4.1A)
 1.39A 2pnjB-1e4oA:
3.6		 2pnjB-1e4oA:
18.18
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.
2Q6U_A_BEZA501_0
(NIKD PROTEIN)		 4fch OUTER MEMBRANE
PROTEIN SUSE
(Bacteroides
thetaiotaomicron) 		4 / 7 ARG A 326
GLU A 339
TYR A 202
TRP A 336
 GLC  A 405 ( 2.7A)
None
EDO  A 413 ( 4.5A)
GLC  A 406 ( 3.7A)
 1.28A 2q6uA-4fchA:
0.0		 2q6uA-4fchA:
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.
2QHC_B_AB1B9001_1
(PROTEASE RETROPEPSIN)		 1ogo DEXTRANASE
(Talaromyces
minioluteus) 		5 / 11 ALA X 397
ASP X 395
GLY X 458
ILE X 457
PRO X 489
 None
GLC  X1576 (-2.7A)
None
None
None
 1.05A 2qhcA-1ogoX:
undetectable		 2qhcA-1ogoX:
10.85
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.
2QHF_A_ACTA509_0
(CHORISMATE SYNTHASE)		 5t03 MALTOSE BINDING
PROTEIN - HEPARAN
SULFATE
6-O-SULFOTRANSFERASE
ISOFORM 3 FUSION
PROTEIN
(Escherichia
coli;
Danio
rerio) 		3 / 3 ARG A  66
GLN A1345
PRO A  48
 GLC  A1410 (-3.8A)
None
None
 0.96A 2qhfA-5t03A:
undetectable		 2qhfA-5t03A:
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.
2QX4_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		4 / 7 GLY A 298
THR A 268
PHE A 205
PHE A 186
 None
None
GLC  A 703 (-3.7A)
GLC  A 703 (-4.8A)
 0.98A 2qx4A-4hozA:
undetectable
2qx4B-4hozA:
undetectable		 2qx4A-4hozA:
16.82
2qx4B-4hozA:
16.82
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.
2TOD_A_DMOA700_1
(PROTEIN (ORNITHINE
DECARBOXYLASE))		 4d47 LEVANSUCRASE
(Erwinia
amylovora) 		4 / 6 ASP A 367
PHE A 365
ASP A 317
TYR A 352
 GLC  A1416 (-4.4A)
None
None
GLC  A1416 (-4.0A)
 1.37A 2todA-4d47A:
undetectable
2todB-4d47A:
undetectable		 2todA-4d47A:
22.94
2todB-4d47A:
22.94
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.
2TOD_B_DMOB700_1
(PROTEIN (ORNITHINE
DECARBOXYLASE))		 4d47 LEVANSUCRASE
(Erwinia
amylovora) 		4 / 5 ASP A 317
TYR A 352
ASP A 367
PHE A 365
 None
GLC  A1416 (-4.0A)
GLC  A1416 (-4.4A)
None
 1.38A 2todA-4d47A:
0.0
2todB-4d47A:
0.0		 2todA-4d47A:
22.94
2todB-4d47A:
22.94
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.
2TOD_D_DMOD700_1
(PROTEIN (ORNITHINE
DECARBOXYLASE))		 4d47 LEVANSUCRASE
(Erwinia
amylovora) 		4 / 5 ASP A 317
TYR A 352
ASP A 367
PHE A 365
 None
GLC  A1416 (-4.0A)
GLC  A1416 (-4.4A)
None
 1.38A 2todC-4d47A:
0.0
2todD-4d47A:
0.0		 2todC-4d47A:
22.94
2todD-4d47A:
22.94
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.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 3rjy ENDOGLUCANASE
FNCEL5A
(Fervidobacterium
nodosum) 		6 / 12 ASN A 166
GLU A 167
HIS A 226
TYR A 228
GLU A 283
TRP A 316
 None
GLC  A 402 (-2.9A)
None
GLC  A 402 ( 3.4A)
GLC  A 403 (-2.5A)
GLC  A 403 (-3.4A)
 0.75A 2v3dA-3rjyA:
18.3		 2v3dA-3rjyA:
20.04
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.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)
(Bacteroides
ovatus) 		5 / 12 ASN A 296
GLU A 297
HIS A 371
TYR A 373
GLU A 430
 BGC  A1518 (-2.8A)
BGC  A1518 (-2.6A)
BGC  A1518 ( 4.8A)
BGC  A1518 ( 4.4A)
GLC  A1519 (-2.8A)
 0.50A 2v3dA-3zmrA:
16.0		 2v3dA-3zmrA:
20.96
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.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		6 / 12 ASN A 292
GLU A 293
HIS A 368
TYR A 370
GLU A 431
TRP A 471
 GLC  A 601 (-3.1A)
GLC  A 601 (-3.0A)
None
GLC  A 601 (-4.5A)
GLC  A 601 (-2.8A)
GLC  A 601 ( 4.0A)
 0.71A 2v3dA-4w8bA:
17.8		 2v3dA-4w8bA:
22.43
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.
2V3D_B_NBVB1504_1
(GLUCOSYLCERAMIDASE)		 3rjy ENDOGLUCANASE
FNCEL5A
(Fervidobacterium
nodosum) 		5 / 11 ASN A 166
GLU A 167
TYR A 228
GLU A 283
TRP A 316
 None
GLC  A 402 (-2.9A)
GLC  A 402 ( 3.4A)
GLC  A 403 (-2.5A)
GLC  A 403 (-3.4A)
 0.85A 2v3dB-3rjyA:
12.7		 2v3dB-3rjyA:
20.04
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.
2V3D_B_NBVB1504_1
(GLUCOSYLCERAMIDASE)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		5 / 11 ASN A 292
GLU A 293
TYR A 370
GLU A 431
TRP A 471
 GLC  A 601 (-3.1A)
GLC  A 601 (-3.0A)
GLC  A 601 (-4.5A)
GLC  A 601 (-2.8A)
GLC  A 601 ( 4.0A)
 0.80A 2v3dB-4w8bA:
15.1		 2v3dB-4w8bA:
22.43
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.
2WX2_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 5axh DEXTRANASE
(Thermoanaerobact
er
pseudethanolicus) 		4 / 8 TYR A 235
TYR A 184
THR A 276
LEU A 279
 GLC  A 703 ( 4.7A)
GLC  A 703 ( 4.4A)
None
None
 1.01A 2wx2B-5axhA:
undetectable		 2wx2B-5axhA:
21.19
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.
2X2I_B_QPSB1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 2b3b GLUCOSE-BINDING
PROTEIN
(Thermus
thermophilus) 		5 / 10 VAL A 232
SER A 223
TRP A 224
GLY A 247
ALA A 245
 None
None
GLC  A2605 ( 4.5A)
None
None
 1.44A 2x2iB-2b3bA:
undetectable		 2x2iB-2b3bA:
16.10
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.
2X7H_A_PFNA1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 5axh DEXTRANASE
(Thermoanaerobact
er
pseudethanolicus) 		4 / 6 PRO A 454
SER A 455
LYS A 450
GLU A 451
 None
GLC  A 701 ( 4.6A)
GLC  A 701 ( 2.6A)
GLC  A 702 ( 4.5A)
 1.20A 2x7hA-5axhA:
undetectable		 2x7hA-5axhA:
20.73
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 1mpo MALTOPORIN
(Escherichia
coli) 		4 / 4 ARG A   8
GLY A  35
GLU A  37
SER A 321
 GLC  A 432 (-2.8A)
None
None
None
 1.38A 2xctS-1mpoA:
undetectable
2xctU-1mpoA:
undetectable		 2xctS-1mpoA:
20.51
2xctU-1mpoA:
20.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XFF_A_QPSA600_1
(BETA-AMYLASE)		 1btc BETA-AMYLASE
(Glycine
max) 		10 / 12 ALA A 184
GLU A 186
ARG A 188
TYR A 192
GLN A 194
TRP A 198
SER A 297
GLY A 298
HIS A 300
MET A 346
 BME  A 502 ( 3.9A)
None
None
None
GLC  A 499 ( 4.0A)
None
None
BME  A 504 ( 4.3A)
GLC  A 499 ( 4.0A)
GLC  A 499 (-3.7A)
 0.67A 2xffA-1btcA:
61.8		 2xffA-1btcA:
62.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XFF_A_QPSA600_1
(BETA-AMYLASE)		 1btc BETA-AMYLASE
(Glycine
max) 		10 / 12 ALA A 184
GLU A 186
ARG A 188
TYR A 192
TRP A 198
PHE A 200
SER A 297
GLY A 298
HIS A 300
MET A 346
 BME  A 502 ( 3.9A)
None
None
None
None
GLC  A 499 ( 3.6A)
None
BME  A 504 ( 4.3A)
GLC  A 499 ( 4.0A)
GLC  A 499 (-3.7A)
 0.50A 2xffA-1btcA:
61.8		 2xffA-1btcA:
62.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XFF_A_QPSA600_1
(BETA-AMYLASE)		 1btc BETA-AMYLASE
(Glycine
max) 		6 / 12 TYR A 192
GLN A 194
TRP A 198
SER A 297
GLY A 298
THR A 342
 None
GLC  A 499 ( 4.0A)
None
None
BME  A 504 ( 4.3A)
None
 1.10A 2xffA-1btcA:
61.8		 2xffA-1btcA:
62.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XFF_A_QPSA600_1
(BETA-AMYLASE)		 1ven BETA-AMYLASE
(Bacillus
cereus) 		8 / 12 ALA A 170
GLU A 172
ARG A 174
TYR A 178
GLY A 290
HIS A 292
THR A 330
MET A 334
 GLC  A 900 ( 4.0A)
None
None
GLC  A 903 (-4.5A)
None
GLC  A 903 (-4.2A)
None
GLC  A 903 (-4.2A)
 0.40A 2xffA-1venA:
41.4		 2xffA-1venA:
31.53
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.
2XTK_B_AZMB1339_1
(CLASS III CHITINASE
CHIA1)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		5 / 10 TYR A 437
GLY A 450
ASP A 502
GLN A 498
TYR A 444
 None
None
None
None
GLC  A1110 (-3.8A)
 1.35A 2xtkB-5f7uA:
8.6		 2xtkB-5f7uA:
14.78
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.
2XZ5_B_ACHB1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		4 / 8 TYR A 813
SER A 812
GLN A 784
ILE A 779
 GLC  A1106 (-3.7A)
None
None
None
 1.17A 2xz5B-5f7uA:
undetectable
2xz5E-5f7uA:
undetectable		 2xz5B-5f7uA:
11.45
2xz5E-5f7uA:
11.45
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.
2YFX_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		5 / 8 LEU A 144
GLY A 113
LEU A  69
GLY A  71
ASP A 107
 None
GLC  A 997 (-3.3A)
None
None
None
 1.27A 2yfxA-1e4oA:
undetectable		 2yfxA-1e4oA:
18.34
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.
2YJA_B_ESTB1550_1
(ESTROGEN RECEPTOR)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ALA A 281
GLU A 308
MET A 125
ILE A 124
GLY A 120
 GOL  A1468 ( 3.9A)
GOL  A1468 (-2.9A)
None
None
GLC  A 468 (-3.6A)
 1.04A 2yjaB-4b8sA:
undetectable		 2yjaB-4b8sA:
20.45
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.
2YJA_B_ESTB1550_1
(ESTROGEN RECEPTOR)		 5jbe INACTIVE
GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 ALA A1016
GLU A1053
MET A1441
ILE A1486
GLY A 973
 None
None
None
GLC  A1708 ( 4.2A)
GLC  A1708 ( 3.5A)
 1.05A 2yjaB-5jbeA:
undetectable		 2yjaB-5jbeA:
13.90
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.
2YJA_B_ESTB1550_1
(ESTROGEN RECEPTOR)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 271
GLU A 298
MET A 120
ILE A 119
GLY A 115
 None
8BR  A 501 ( 4.6A)
None
None
GLC  A 503 (-3.7A)
 1.13A 2yjaB-5o0jA:
undetectable		 2yjaB-5o0jA:
16.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZQ0_A_ACRA801_1
(ALPHA-GLUCOSIDASE
(ALPHA-GLUCOSIDASE
SUSB))		 5hqb ALPHA-GLUCOSIDASE
(Pseudoalteromona
s
sp.
K8) 		8 / 12 GLU A 173
ASN A 170
GLU A 330
TRP A 336
PHE A 341
HIS A 375
LYS A 405
GLU A 474
 GLC  A 712 ( 2.7A)
GLC  A 712 (-3.2A)
GLC  A 711 (-2.7A)
None
GOL  A 706 (-3.5A)
GLC  A 711 (-4.2A)
GLC  A 711 (-2.8A)
CA  A 701 ( 2.9A)
 0.96A 2zq0A-5hqbA:
48.8		 2zq0A-5hqbA:
39.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZQ0_A_ACRA801_2
(ALPHA-GLUCOSIDASE
(ALPHA-GLUCOSIDASE
SUSB))		 5hqb ALPHA-GLUCOSIDASE
(Pseudoalteromona
s
sp.
K8) 		5 / 9 GLU A 377
VAL A 409
HIS A 455
GLU A 456
PHE A 481
 GLC  A 711 (-3.7A)
GLC  A 712 (-4.7A)
GLC  A 711 (-3.7A)
CA  A 701 ( 3.4A)
None
 1.34A 2zq0A-5hqbA:
48.8		 2zq0A-5hqbA:
39.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZQ0_A_ACRA801_2
(ALPHA-GLUCOSIDASE
(ALPHA-GLUCOSIDASE
SUSB))		 5hqb ALPHA-GLUCOSIDASE
(Pseudoalteromona
s
sp.
K8) 		7 / 9 TRP A 289
TRP A 299
TRP A 340
GLU A 377
VAL A 409
HIS A 455
GLU A 456
 GLC  A 711 (-4.1A)
GLC  A 711 (-4.5A)
GLC  A 711 (-4.8A)
GLC  A 711 (-3.7A)
GLC  A 712 (-4.7A)
GLC  A 711 (-3.7A)
CA  A 701 ( 3.4A)
 0.47A 2zq0A-5hqbA:
48.8		 2zq0A-5hqbA:
39.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZQ0_B_ACRB811_1
(ALPHA-GLUCOSIDASE
(ALPHA-GLUCOSIDASE
SUSB))		 5hqb ALPHA-GLUCOSIDASE
(Pseudoalteromona
s
sp.
K8) 		6 / 12 GLU A 173
ASN A 170
TRP A 336
HIS A 375
GLU A 456
GLU A 474
 GLC  A 712 ( 2.7A)
GLC  A 712 (-3.2A)
None
GLC  A 711 (-4.2A)
CA  A 701 ( 3.4A)
CA  A 701 ( 2.9A)
 1.41A 2zq0B-5hqbA:
57.0		 2zq0B-5hqbA:
39.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZQ0_B_ACRB811_1
(ALPHA-GLUCOSIDASE
(ALPHA-GLUCOSIDASE
SUSB))		 5hqb ALPHA-GLUCOSIDASE
(Pseudoalteromona
s
sp.
K8) 		8 / 12 GLU A 173
ASN A 170
TRP A 336
PHE A 341
HIS A 375
LYS A 405
GLU A 456
GLU A 474
 GLC  A 712 ( 2.7A)
GLC  A 712 (-3.2A)
None
GOL  A 706 (-3.5A)
GLC  A 711 (-4.2A)
GLC  A 711 (-2.8A)
CA  A 701 ( 3.4A)
CA  A 701 ( 2.9A)
 1.01A 2zq0B-5hqbA:
57.0		 2zq0B-5hqbA:
39.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZQ0_B_ACRB811_2
(ALPHA-GLUCOSIDASE
(ALPHA-GLUCOSIDASE
SUSB))		 5hqb ALPHA-GLUCOSIDASE
(Pseudoalteromona
s
sp.
K8) 		7 / 9 TRP A 289
TRP A 299
GLU A 330
TRP A 340
GLU A 377
VAL A 409
HIS A 455
 GLC  A 711 (-4.1A)
GLC  A 711 (-4.5A)
GLC  A 711 (-2.7A)
GLC  A 711 (-4.8A)
GLC  A 711 (-3.7A)
GLC  A 712 (-4.7A)
GLC  A 711 (-3.7A)
 0.49A 2zq0B-5hqbA:
57.0		 2zq0B-5hqbA:
39.61
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.
2ZS9_A_PAUA603_0
(PANTOTHENATE KINASE)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		4 / 6 VAL A 420
ASP A 307
TYR A  63
ASN A 449
 None
GLC  A 997 (-3.6A)
None
GLC  A 998 (-3.3A)
 1.46A 2zs9A-1e4oA:
0.2		 2zs9A-1e4oA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZS9_A_PAUA603_0
(PANTOTHENATE KINASE)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		4 / 6 VAL A 584
ASP A 383
TYR A 131
ASN A 613
 None
None
None
GLC  A1001 (-3.8A)
 1.48A 2zs9A-5lrbA:
undetectable		 2zs9A-5lrbA:
17.26
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.
2ZT7_A_GLYA1300_0
(GLYCYL-TRNA
SYNTHETASE)		 1mpo MALTOPORIN
(Escherichia
coli) 		4 / 7 ARG A   8
GLU A  43
TYR A 118
ARG A 109
 GLC  A 432 (-2.8A)
GLC  A 432 ( 2.9A)
GLC  A 433 (-4.6A)
GLC  A 432 (-3.3A)
 1.27A 2zt7A-1mpoA:
undetectable		 2zt7A-1mpoA:
20.14
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.
2ZT7_A_GLYA1300_0
(GLYCYL-TRNA
SYNTHETASE)		 2mpr MALTOPORIN
(Salmonella
enterica) 		4 / 7 ARG A   8
GLU A  43
TYR A 118
ARG A 109
 GLC  A 429 (-3.0A)
GLC  A 429 ( 2.6A)
BGC  A 428 (-4.4A)
GLC  A 429 ( 3.0A)
 1.21A 2zt7A-2mprA:
undetectable		 2zt7A-2mprA:
19.67
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.
2ZW9_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 GLN A 121
SER A 456
GLY A 448
GLY A 450
ASN A  40
 GLC  A 468 ( 4.8A)
None
GLC  A 468 ( 4.0A)
AMP  A1472 ( 3.7A)
GLC  A 468 ( 4.1A)
 1.24A 2zw9A-4b8sA:
2.1		 2zw9A-4b8sA:
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.
2ZW9_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 3dm0 MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH RACK1
(Escherichia
coli;
Arabidopsis
thaliana) 		4 / 8 THR A  93
LEU A 285
ASP A 287
GLU A 111
 None
None
None
GLC  A 672 (-2.8A)
 1.02A 2zw9A-3dm0A:
14.7		 2zw9A-3dm0A:
21.67
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.
2ZW9_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 4qsz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
JMJC
DOMAIN-CONTAINING
PROTEIN 7 CHIMERA
(Escherichia
coli;
Mus
musculus) 		4 / 8 THR A-278
LEU A -86
ASP A -84
GLU A-260
 None
None
None
GLC  A 901 (-3.1A)
 1.06A 2zw9A-4qszA:
undetectable		 2zw9A-4qszA:
23.48
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.
3A27_A_SAMA250_1
(UNCHARACTERIZED
PROTEIN MJ1557)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 MET A 411
GLU A 459
ASN A 749
 BGC  A1764 (-3.6A)
GLC  A1769 ( 4.6A)
BGC  A1770 ( 3.0A)
 0.95A 3a27A-2cn3A:
undetectable		 3a27A-2cn3A:
15.58
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.
3A65_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 4xn3 TAIL SPIKE PROTEIN
(Salmonella
virus
HK620) 		5 / 12 TYR A 393
ASP A 339
ASN A 471
GLY A 468
ILE A 426
 NAG  A1006 (-3.4A)
NDG  A1005 (-3.0A)
NDG  A1005 (-3.3A)
GLC  A1007 (-3.2A)
None
 1.47A 3a65A-4xn3A:
undetectable		 3a65A-4xn3A:
20.73
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
ASN A 269
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
None
 1.38A 3aicA-1kclA:
7.9		 3aicA-1kclA:
23.26
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.78A 3aicA-1kclA:
7.9		 3aicA-1kclA:
23.26
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		7 / 12 LEU A 201
ARG A 234
ASP A 236
ALA A 237
GLU A 266
HIS A 332
ASP A 333
 None
None
None
None
None
None
GLC  A 605 (-3.5A)
 0.63A 3aicA-2d3lA:
11.6		 3aicA-2d3lA:
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 12 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.66A 3aicA-2ya1A:
8.2		 3aicA-2ya1A:
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		6 / 12 ARG A 200
ASP A 202
ASN A 205
GLU A 232
HIS A 314
ASP A 315
 GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 502 (-3.4A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 1.32A 3aicA-2z1kA:
6.3		 3aicA-2z1kA:
19.48
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		5 / 12 ARG A 213
ASP A 215
HIS A 351
ASP A 352
ASP A  69
 GLC  A 601 (-3.0A)
GLC  A 601 (-2.9A)
GLC  A 601 (-3.9A)
GLC  A 601 (-2.8A)
GLC  A 601 (-2.6A)
 0.76A 3aicA-3axiA:
4.7		 3aicA-3axiA:
21.39
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE
(Sulfolobus
solfataricus) 		5 / 12 ARG A 250
ALA A 253
GLU A 283
HIS A 376
ASP A 377
 GLC  A 604 (-3.1A)
GLC  A 604 (-4.1A)
GLC  A 604 (-2.6A)
GLC  A 604 (-4.0A)
GLC  A 604 (-2.7A)
 0.72A 3aicA-3vgfA:
2.1		 3aicA-3vgfA:
22.53
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3vm7 ALPHA-AMYLASE
(Malbranchea
cinnamomea) 		6 / 12 LEU A 185
ARG A 223
ASP A 225
GLU A 249
HIS A 315
ASP A 316
 None
None
GLC  A 503 (-3.5A)
GLC  A 503 (-2.6A)
None
GLC  A 503 (-3.0A)
 0.73A 3aicA-3vm7A:
5.0		 3aicA-3vm7A:
20.95
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
ASP A 102
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-2.7A)
 0.76A 3aicA-4hozA:
4.5		 3aicA-4hozA:
20.70
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
GLN A 209
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-3.8A)
 0.92A 3aicA-4hozA:
4.5		 3aicA-4hozA:
20.70
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		5 / 12 ARG A 450
ASP A 452
GLU A 527
HIS A 619
ASP A 620
 GLC  A1001 (-3.3A)
GLC  A1001 (-2.0A)
GLC  A1001 (-3.2A)
GLC  A1001 (-4.0A)
GLC  A1001 (-2.7A)
 0.73A 3aicA-4okdA:
5.5		 3aicA-4okdA:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5jbe INACTIVE
GLUCANSUCRASE
(Lactobacillus
reuteri) 		9 / 12 LEU A 971
ARG A1013
ASP A1015
ALA A1016
ASN A1019
GLU A1053
HIS A1124
ASP A1125
GLN A1484
 None
None
None
None
None
None
None
GLC  A1711 ( 3.2A)
None
 0.73A 3aicA-5jbeA:
52.9		 3aicA-5jbeA:
40.59
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5ww1 PULULLANASE
(Paenibacillus
barengoltzii) 		5 / 12 ARG A 371
ASP A 373
GLU A 402
HIS A 492
ASP A 493
 None
None
GLC  A 701 ( 4.8A)
None
GLC  A 701 ( 4.6A)
 0.63A 3aicA-5ww1A:
undetectable		 3aicA-5ww1A:
6.16
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
ASN A 269
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
None
 1.36A 3aicB-1kclA:
5.1		 3aicB-1kclA:
23.26
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.78A 3aicB-1kclA:
5.1		 3aicB-1kclA:
23.26
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		7 / 12 LEU A 201
ARG A 234
ASP A 236
ALA A 237
GLU A 266
HIS A 332
ASP A 333
 None
None
None
None
None
None
GLC  A 605 (-3.5A)
 0.62A 3aicB-2d3lA:
7.1		 3aicB-2d3lA:
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 12 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.65A 3aicB-2ya1A:
3.6		 3aicB-2ya1A:
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		6 / 12 ARG A 200
ASP A 202
ASN A 205
GLU A 232
HIS A 314
ASP A 315
 GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 502 (-3.4A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 1.38A 3aicB-2z1kA:
8.8		 3aicB-2z1kA:
19.48
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		5 / 12 ARG A 213
ASP A 215
HIS A 351
ASP A 352
ASP A  69
 GLC  A 601 (-3.0A)
GLC  A 601 (-2.9A)
GLC  A 601 (-3.9A)
GLC  A 601 (-2.8A)
GLC  A 601 (-2.6A)
 0.76A 3aicB-3axiA:
5.6		 3aicB-3axiA:
21.39
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE
(Sulfolobus
solfataricus) 		5 / 12 ARG A 250
ALA A 253
GLU A 283
HIS A 376
ASP A 377
 GLC  A 604 (-3.1A)
GLC  A 604 (-4.1A)
GLC  A 604 (-2.6A)
GLC  A 604 (-4.0A)
GLC  A 604 (-2.7A)
 0.76A 3aicB-3vgfA:
5.5		 3aicB-3vgfA:
22.53
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3vm7 ALPHA-AMYLASE
(Malbranchea
cinnamomea) 		6 / 12 LEU A 185
ARG A 223
ASP A 225
GLU A 249
HIS A 315
ASP A 316
 None
None
GLC  A 503 (-3.5A)
GLC  A 503 (-2.6A)
None
GLC  A 503 (-3.0A)
 0.71A 3aicB-3vm7A:
5.2		 3aicB-3vm7A:
20.95
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
ASP A 102
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-2.7A)
 0.78A 3aicB-4hozA:
3.9		 3aicB-4hozA:
20.70
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		5 / 12 ARG A 450
ASP A 452
GLU A 527
HIS A 619
ASP A 620
 GLC  A1001 (-3.3A)
GLC  A1001 (-2.0A)
GLC  A1001 (-3.2A)
GLC  A1001 (-4.0A)
GLC  A1001 (-2.7A)
 0.75A 3aicB-4okdA:
5.1		 3aicB-4okdA:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5jbe INACTIVE
GLUCANSUCRASE
(Lactobacillus
reuteri) 		9 / 12 LEU A 971
ARG A1013
ASP A1015
ALA A1016
ASN A1019
GLU A1053
HIS A1124
ASP A1125
GLN A1484
 None
None
None
None
None
None
None
GLC  A1711 ( 3.2A)
None
 0.72A 3aicB-5jbeA:
52.2		 3aicB-5jbeA:
40.59
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5ww1 PULULLANASE
(Paenibacillus
barengoltzii) 		5 / 12 ARG A 371
ASP A 373
GLU A 402
HIS A 492
ASP A 493
 None
None
GLC  A 701 ( 4.8A)
None
GLC  A 701 ( 4.6A)
 0.63A 3aicB-5ww1A:
7.3		 3aicB-5ww1A:
6.16
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 ARG A 227
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
TYR A 100
 GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
GLC  A1695 ( 3.1A)
 0.79A 3aicC-1kclA:
6.3		 3aicC-1kclA:
23.26
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		7 / 12 ARG A 234
ASP A 236
ALA A 237
GLU A 266
HIS A 332
ASP A 333
TYR A  58
 None
None
None
None
None
GLC  A 605 (-3.5A)
GLC  A 605 (-4.8A)
 0.63A 3aicC-2d3lA:
11.7		 3aicC-2d3lA:
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		6 / 12 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
TYR A 667
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
BGC  A2144 (-4.5A)
 0.62A 3aicC-2ya1A:
6.1		 3aicC-2ya1A:
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		6 / 12 ARG A 200
ASP A 202
GLU A 232
HIS A 314
ASP A 315
TYR A  81
 GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
GLC  A 603 ( 4.0A)
 0.67A 3aicC-2z1kA:
5.1		 3aicC-2z1kA:
19.48
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		6 / 12 ARG A 213
ASP A 215
ASN A 302
HIS A 351
ASP A  69
TYR A  72
 GLC  A 601 (-3.0A)
GLC  A 601 (-2.9A)
None
GLC  A 601 (-3.9A)
GLC  A 601 (-2.6A)
GLC  A 601 (-3.7A)
 0.87A 3aicC-3axiA:
4.6		 3aicC-3axiA:
21.39
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		6 / 12 ARG A 213
ASP A 215
HIS A 351
ASP A 352
ASP A  69
TYR A  72
 GLC  A 601 (-3.0A)
GLC  A 601 (-2.9A)
GLC  A 601 (-3.9A)
GLC  A 601 (-2.8A)
GLC  A 601 (-2.6A)
GLC  A 601 (-3.7A)
 0.73A 3aicC-3axiA:
4.6		 3aicC-3axiA:
21.39
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE
(Sulfolobus
solfataricus) 		6 / 12 ARG A 250
ALA A 253
GLU A 283
HIS A 376
ASP A 377
TYR A 152
 GLC  A 604 (-3.1A)
GLC  A 604 (-4.1A)
GLC  A 604 (-2.6A)
GLC  A 604 (-4.0A)
GLC  A 604 (-2.7A)
GLC  A 604 ( 3.5A)
 0.71A 3aicC-3vgfA:
5.3		 3aicC-3vgfA:
22.53
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3vm7 ALPHA-AMYLASE
(Malbranchea
cinnamomea) 		6 / 12 ARG A 223
ASP A 225
GLU A 249
HIS A 315
ASP A 316
TYR A 102
 None
GLC  A 503 (-3.5A)
GLC  A 503 (-2.6A)
None
GLC  A 503 (-3.0A)
None
 0.62A 3aicC-3vm7A:
4.7		 3aicC-3vm7A:
20.95
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		6 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
ASP A 102
TYR A 105
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-2.7A)
GLC  A 703 (-3.5A)
 0.73A 3aicC-4hozA:
3.4		 3aicC-4hozA:
20.70
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		6 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
TYR A 105
GLN A 209
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-3.5A)
GLC  A 703 (-3.8A)
 0.99A 3aicC-4hozA:
3.4		 3aicC-4hozA:
20.70
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		6 / 12 ARG A 450
ASP A 452
GLU A 527
HIS A 619
ASP A 620
TYR A 331
 GLC  A1001 (-3.3A)
GLC  A1001 (-2.0A)
GLC  A1001 (-3.2A)
GLC  A1001 (-4.0A)
GLC  A1001 (-2.7A)
GLC  A1001 ( 3.8A)
 0.72A 3aicC-4okdA:
5.3		 3aicC-4okdA:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5jbe INACTIVE
GLUCANSUCRASE
(Lactobacillus
reuteri) 		9 / 12 ARG A1013
ASP A1015
ALA A1016
ASN A1019
GLU A1053
HIS A1124
ASP A1125
TYR A1439
GLN A1484
 None
None
None
None
None
None
GLC  A1711 ( 3.2A)
GLC  A1711 ( 4.4A)
None
 0.62A 3aicC-5jbeA:
52.7		 3aicC-5jbeA:
40.59
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5ww1 PULULLANASE
(Paenibacillus
barengoltzii) 		6 / 12 ARG A 371
ASP A 373
GLU A 402
HIS A 492
ASP A 493
TYR A 259
 None
None
GLC  A 701 ( 4.8A)
None
GLC  A 701 ( 4.6A)
None
 0.60A 3aicC-5ww1A:
7.3		 3aicC-5ww1A:
6.16
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
ASN A 269
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
None
 1.39A 3aicD-1kclA:
5.7		 3aicD-1kclA:
23.26
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.82A 3aicD-1kclA:
5.7		 3aicD-1kclA:
23.26
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		7 / 12 LEU A 201
ARG A 234
ASP A 236
ALA A 237
GLU A 266
HIS A 332
ASP A 333
 None
None
None
None
None
None
GLC  A 605 (-3.5A)
 0.68A 3aicD-2d3lA:
11.7		 3aicD-2d3lA:
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 12 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.73A 3aicD-2ya1A:
8.2		 3aicD-2ya1A:
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		6 / 12 ARG A 200
ASP A 202
ASN A 205
GLU A 232
HIS A 314
ASP A 315
 GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 502 (-3.4A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 1.36A 3aicD-2z1kA:
6.5		 3aicD-2z1kA:
19.48
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		5 / 12 ARG A 213
ASP A 215
HIS A 351
ASP A 352
ASP A  69
 GLC  A 601 (-3.0A)
GLC  A 601 (-2.9A)
GLC  A 601 (-3.9A)
GLC  A 601 (-2.8A)
GLC  A 601 (-2.6A)
 0.82A 3aicD-3axiA:
4.7		 3aicD-3axiA:
21.39
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE
(Sulfolobus
solfataricus) 		5 / 12 ARG A 250
ALA A 253
GLU A 283
HIS A 376
ASP A 377
 GLC  A 604 (-3.1A)
GLC  A 604 (-4.1A)
GLC  A 604 (-2.6A)
GLC  A 604 (-4.0A)
GLC  A 604 (-2.7A)
 0.79A 3aicD-3vgfA:
5.4		 3aicD-3vgfA:
22.53
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3vm7 ALPHA-AMYLASE
(Malbranchea
cinnamomea) 		6 / 12 LEU A 185
ARG A 223
ASP A 225
GLU A 249
HIS A 315
ASP A 316
 None
None
GLC  A 503 (-3.5A)
GLC  A 503 (-2.6A)
None
GLC  A 503 (-3.0A)
 0.79A 3aicD-3vm7A:
5.2		 3aicD-3vm7A:
20.95
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
ASP A 102
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-2.7A)
 0.84A 3aicD-4hozA:
4.2		 3aicD-4hozA:
20.70
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		5 / 12 ARG A 450
ASP A 452
GLU A 527
HIS A 619
ASP A 620
 GLC  A1001 (-3.3A)
GLC  A1001 (-2.0A)
GLC  A1001 (-3.2A)
GLC  A1001 (-4.0A)
GLC  A1001 (-2.7A)
 0.81A 3aicD-4okdA:
5.3		 3aicD-4okdA:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5jbe INACTIVE
GLUCANSUCRASE
(Lactobacillus
reuteri) 		9 / 12 LEU A 971
ARG A1013
ASP A1015
ALA A1016
ASN A1019
GLU A1053
HIS A1124
ASP A1125
GLN A1484
 None
None
None
None
None
None
None
GLC  A1711 ( 3.2A)
None
 0.75A 3aicD-5jbeA:
52.7		 3aicD-5jbeA:
40.59
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5ww1 PULULLANASE
(Paenibacillus
barengoltzii) 		5 / 12 ARG A 371
ASP A 373
GLU A 402
HIS A 492
ASP A 493
 None
None
GLC  A 701 ( 4.8A)
None
GLC  A 701 ( 4.6A)
 0.72A 3aicD-5ww1A:
4.2		 3aicD-5ww1A:
6.16
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
ASN A 269
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
None
 1.41A 3aicE-1kclA:
9.9		 3aicE-1kclA:
23.26
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.81A 3aicE-1kclA:
9.9		 3aicE-1kclA:
23.26
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		7 / 12 LEU A 201
ARG A 234
ASP A 236
ALA A 237
GLU A 266
HIS A 332
ASP A 333
 None
None
None
None
None
None
GLC  A 605 (-3.5A)
 0.67A 3aicE-2d3lA:
11.8		 3aicE-2d3lA:
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 12 ARG A 776
ASP A 778
GLU A 807
ARG A 842
HIS A 894
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
GLC  A2149 (-2.8A)
None
 0.74A 3aicE-2ya1A:
8.2		 3aicE-2ya1A:
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 12 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.66A 3aicE-2ya1A:
8.2		 3aicE-2ya1A:
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		6 / 12 ARG A 200
ASP A 202
ASN A 205
GLU A 232
HIS A 314
ASP A 315
 GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 502 (-3.4A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 1.38A 3aicE-2z1kA:
8.8		 3aicE-2z1kA:
19.48
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		5 / 12 ARG A 213
ASP A 215
HIS A 351
ASP A 352
ASP A  69
 GLC  A 601 (-3.0A)
GLC  A 601 (-2.9A)
GLC  A 601 (-3.9A)
GLC  A 601 (-2.8A)
GLC  A 601 (-2.6A)
 0.81A 3aicE-3axiA:
4.3		 3aicE-3axiA:
21.39
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE
(Sulfolobus
solfataricus) 		5 / 12 ARG A 250
ALA A 253
GLU A 283
HIS A 376
ASP A 377
 GLC  A 604 (-3.1A)
GLC  A 604 (-4.1A)
GLC  A 604 (-2.6A)
GLC  A 604 (-4.0A)
GLC  A 604 (-2.7A)
 0.79A 3aicE-3vgfA:
4.7		 3aicE-3vgfA:
22.53
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3vm7 ALPHA-AMYLASE
(Malbranchea
cinnamomea) 		6 / 12 LEU A 185
ARG A 223
ASP A 225
GLU A 249
HIS A 315
ASP A 316
 None
None
GLC  A 503 (-3.5A)
GLC  A 503 (-2.6A)
None
GLC  A 503 (-3.0A)
 0.76A 3aicE-3vm7A:
5.1		 3aicE-3vm7A:
20.95
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
ASP A 102
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-2.7A)
 0.84A 3aicE-4hozA:
7.6		 3aicE-4hozA:
20.70
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		5 / 12 ARG A 450
ASP A 452
GLU A 527
HIS A 619
ASP A 620
 GLC  A1001 (-3.3A)
GLC  A1001 (-2.0A)
GLC  A1001 (-3.2A)
GLC  A1001 (-4.0A)
GLC  A1001 (-2.7A)
 0.75A 3aicE-4okdA:
5.5		 3aicE-4okdA:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5jbe INACTIVE
GLUCANSUCRASE
(Lactobacillus
reuteri) 		9 / 12 LEU A 971
ARG A1013
ASP A1015
ALA A1016
ASN A1019
GLU A1053
HIS A1124
ASP A1125
GLN A1484
 None
None
None
None
None
None
None
GLC  A1711 ( 3.2A)
None
 0.76A 3aicE-5jbeA:
52.7		 3aicE-5jbeA:
40.59
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5ww1 PULULLANASE
(Paenibacillus
barengoltzii) 		5 / 12 ARG A 371
ASP A 373
GLU A 402
ARG A 435
HIS A 492
 None
None
GLC  A 701 ( 4.8A)
GLC  A 702 ( 2.9A)
None
 0.73A 3aicE-5ww1A:
3.7		 3aicE-5ww1A:
6.16
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5ww1 PULULLANASE
(Paenibacillus
barengoltzii) 		5 / 12 ARG A 371
ASP A 373
GLU A 402
HIS A 492
ASP A 493
 None
None
GLC  A 701 ( 4.8A)
None
GLC  A 701 ( 4.6A)
 0.65A 3aicE-5ww1A:
3.7		 3aicE-5ww1A:
6.16
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
ASN A 269
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
None
 1.38A 3aicF-1kclA:
5.5		 3aicF-1kclA:
23.26
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.79A 3aicF-1kclA:
5.5		 3aicF-1kclA:
23.26
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		7 / 12 LEU A 201
ARG A 234
ASP A 236
ALA A 237
GLU A 266
HIS A 332
ASP A 333
 None
None
None
None
None
None
GLC  A 605 (-3.5A)
 0.65A 3aicF-2d3lA:
11.6		 3aicF-2d3lA:
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 12 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.66A 3aicF-2ya1A:
8.2		 3aicF-2ya1A:
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		6 / 12 ARG A 200
ASP A 202
ASN A 205
GLU A 232
HIS A 314
ASP A 315
 GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 502 (-3.4A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 1.38A 3aicF-2z1kA:
8.8		 3aicF-2z1kA:
19.48
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		5 / 12 ARG A 213
ASP A 215
HIS A 351
ASP A 352
ASP A  69
 GLC  A 601 (-3.0A)
GLC  A 601 (-2.9A)
GLC  A 601 (-3.9A)
GLC  A 601 (-2.8A)
GLC  A 601 (-2.6A)
 0.77A 3aicF-3axiA:
5.8		 3aicF-3axiA:
21.39
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE
(Sulfolobus
solfataricus) 		5 / 12 ARG A 250
ALA A 253
GLU A 283
HIS A 376
ASP A 377
 GLC  A 604 (-3.1A)
GLC  A 604 (-4.1A)
GLC  A 604 (-2.6A)
GLC  A 604 (-4.0A)
GLC  A 604 (-2.7A)
 0.75A 3aicF-3vgfA:
7.5		 3aicF-3vgfA:
22.53
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3vm7 ALPHA-AMYLASE
(Malbranchea
cinnamomea) 		6 / 12 LEU A 185
ARG A 223
ASP A 225
GLU A 249
HIS A 315
ASP A 316
 None
None
GLC  A 503 (-3.5A)
GLC  A 503 (-2.6A)
None
GLC  A 503 (-3.0A)
 0.71A 3aicF-3vm7A:
8.0		 3aicF-3vm7A:
20.95
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
ASP A 102
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-2.7A)
 0.81A 3aicF-4hozA:
7.6		 3aicF-4hozA:
20.70
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
GLN A 209
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-3.8A)
 0.89A 3aicF-4hozA:
7.6		 3aicF-4hozA:
20.70
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		5 / 12 ARG A 450
ASP A 452
GLU A 527
HIS A 619
ASP A 620
 GLC  A1001 (-3.3A)
GLC  A1001 (-2.0A)
GLC  A1001 (-3.2A)
GLC  A1001 (-4.0A)
GLC  A1001 (-2.7A)
 0.78A 3aicF-4okdA:
4.0		 3aicF-4okdA:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5jbe INACTIVE
GLUCANSUCRASE
(Lactobacillus
reuteri) 		9 / 12 LEU A 971
ARG A1013
ASP A1015
ALA A1016
ASN A1019
GLU A1053
HIS A1124
ASP A1125
GLN A1484
 None
None
None
None
None
None
None
GLC  A1711 ( 3.2A)
None
 0.74A 3aicF-5jbeA:
53.0		 3aicF-5jbeA:
40.59
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5ww1 PULULLANASE
(Paenibacillus
barengoltzii) 		5 / 12 ARG A 371
ASP A 373
GLU A 402
HIS A 492
ASP A 493
 None
None
GLC  A 701 ( 4.8A)
None
GLC  A 701 ( 4.6A)
 0.65A 3aicF-5ww1A:
5.1		 3aicF-5ww1A:
6.16
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
ASN A 269
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
None
 1.39A 3aicG-1kclA:
6.7		 3aicG-1kclA:
23.26
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.79A 3aicG-1kclA:
6.7		 3aicG-1kclA:
23.26
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		7 / 12 LEU A 201
ARG A 234
ASP A 236
ALA A 237
GLU A 266
HIS A 332
ASP A 333
 None
None
None
None
None
None
GLC  A 605 (-3.5A)
 0.60A 3aicG-2d3lA:
11.7		 3aicG-2d3lA:
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 12 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.66A 3aicG-2ya1A:
8.2		 3aicG-2ya1A:
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		6 / 12 ARG A 200
ASP A 202
ASN A 205
GLU A 232
HIS A 314
ASP A 315
 GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 502 (-3.4A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 1.35A 3aicG-2z1kA:
8.9		 3aicG-2z1kA:
19.48
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		5 / 12 ARG A 213
ASP A 215
HIS A 351
ASP A 352
ASP A  69
 GLC  A 601 (-3.0A)
GLC  A 601 (-2.9A)
GLC  A 601 (-3.9A)
GLC  A 601 (-2.8A)
GLC  A 601 (-2.6A)
 0.76A 3aicG-3axiA:
5.3		 3aicG-3axiA:
21.39
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE
(Sulfolobus
solfataricus) 		5 / 12 ARG A 250
ALA A 253
GLU A 283
HIS A 376
ASP A 377
 GLC  A 604 (-3.1A)
GLC  A 604 (-4.1A)
GLC  A 604 (-2.6A)
GLC  A 604 (-4.0A)
GLC  A 604 (-2.7A)
 0.72A 3aicG-3vgfA:
7.6		 3aicG-3vgfA:
22.53
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3vm7 ALPHA-AMYLASE
(Malbranchea
cinnamomea) 		6 / 12 LEU A 185
ARG A 223
ASP A 225
GLU A 249
HIS A 315
ASP A 316
 None
None
GLC  A 503 (-3.5A)
GLC  A 503 (-2.6A)
None
GLC  A 503 (-3.0A)
 0.73A 3aicG-3vm7A:
4.8		 3aicG-3vm7A:
20.95
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
ASP A 102
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-2.7A)
 0.78A 3aicG-4hozA:
7.3		 3aicG-4hozA:
20.70
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		5 / 12 ARG A 450
ASP A 452
GLU A 527
HIS A 619
ASP A 620
 GLC  A1001 (-3.3A)
GLC  A1001 (-2.0A)
GLC  A1001 (-3.2A)
GLC  A1001 (-4.0A)
GLC  A1001 (-2.7A)
 0.75A 3aicG-4okdA:
5.6		 3aicG-4okdA:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5jbe INACTIVE
GLUCANSUCRASE
(Lactobacillus
reuteri) 		9 / 12 LEU A 971
ARG A1013
ASP A1015
ALA A1016
ASN A1019
GLU A1053
HIS A1124
ASP A1125
GLN A1484
 None
None
None
None
None
None
None
GLC  A1711 ( 3.2A)
None
 0.73A 3aicG-5jbeA:
52.6		 3aicG-5jbeA:
40.59
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5ww1 PULULLANASE
(Paenibacillus
barengoltzii) 		5 / 12 ARG A 371
ASP A 373
GLU A 402
HIS A 492
ASP A 493
 None
None
GLC  A 701 ( 4.8A)
None
GLC  A 701 ( 4.6A)
 0.64A 3aicG-5ww1A:
4.7		 3aicG-5ww1A:
6.16
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		6 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
ASN A 269
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
None
 1.43A 3aicH-1kclA:
6.4		 3aicH-1kclA:
23.26
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.85A 3aicH-1kclA:
6.4		 3aicH-1kclA:
23.26
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		7 / 12 LEU A 201
ARG A 234
ASP A 236
ALA A 237
GLU A 266
HIS A 332
ASP A 333
 None
None
None
None
None
None
GLC  A 605 (-3.5A)
 0.71A 3aicH-2d3lA:
11.7		 3aicH-2d3lA:
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 12 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.71A 3aicH-2ya1A:
8.2		 3aicH-2ya1A:
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		6 / 12 ARG A 200
ASP A 202
ASN A 205
GLU A 232
HIS A 314
ASP A 315
 GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 502 (-3.4A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 1.34A 3aicH-2z1kA:
6.5		 3aicH-2z1kA:
19.48
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		5 / 12 ARG A 213
ASP A 215
HIS A 351
ASP A 352
ASP A  69
 GLC  A 601 (-3.0A)
GLC  A 601 (-2.9A)
GLC  A 601 (-3.9A)
GLC  A 601 (-2.8A)
GLC  A 601 (-2.6A)
 0.82A 3aicH-3axiA:
4.8		 3aicH-3axiA:
21.39
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE
(Sulfolobus
solfataricus) 		5 / 12 ARG A 250
ALA A 253
GLU A 283
HIS A 376
ASP A 377
 GLC  A 604 (-3.1A)
GLC  A 604 (-4.1A)
GLC  A 604 (-2.6A)
GLC  A 604 (-4.0A)
GLC  A 604 (-2.7A)
 0.81A 3aicH-3vgfA:
5.4		 3aicH-3vgfA:
22.53
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3vm7 ALPHA-AMYLASE
(Malbranchea
cinnamomea) 		6 / 12 LEU A 185
ARG A 223
ASP A 225
GLU A 249
HIS A 315
ASP A 316
 None
None
GLC  A 503 (-3.5A)
GLC  A 503 (-2.6A)
None
GLC  A 503 (-3.0A)
 0.81A 3aicH-3vm7A:
2.6		 3aicH-3vm7A:
20.95
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
ASP A 102
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-2.7A)
 0.81A 3aicH-4hozA:
4.2		 3aicH-4hozA:
20.70
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ARG A 239
GLU A 295
HIS A 368
ASP A 369
GLN A 209
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-3.8A)
 0.96A 3aicH-4hozA:
4.2		 3aicH-4hozA:
20.70
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		5 / 12 ARG A 450
ASP A 452
GLU A 527
HIS A 619
ASP A 620
 GLC  A1001 (-3.3A)
GLC  A1001 (-2.0A)
GLC  A1001 (-3.2A)
GLC  A1001 (-4.0A)
GLC  A1001 (-2.7A)
 0.77A 3aicH-4okdA:
5.6		 3aicH-4okdA:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5jbe INACTIVE
GLUCANSUCRASE
(Lactobacillus
reuteri) 		9 / 12 LEU A 971
ARG A1013
ASP A1015
ALA A1016
ASN A1019
GLU A1053
HIS A1124
ASP A1125
GLN A1484
 None
None
None
None
None
None
None
GLC  A1711 ( 3.2A)
None
 0.73A 3aicH-5jbeA:
52.7		 3aicH-5jbeA:
40.59
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5ww1 PULULLANASE
(Paenibacillus
barengoltzii) 		5 / 12 ARG A 371
ASP A 373
GLU A 402
HIS A 492
ASP A 493
 None
None
GLC  A 701 ( 4.8A)
None
GLC  A 701 ( 4.6A)
 0.68A 3aicH-5ww1A:
4.1		 3aicH-5ww1A:
6.16
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.
3AOD_A_MIYA2001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 1ogo DEXTRANASE
(Talaromyces
minioluteus) 		5 / 8 GLY X 377
GLU X 379
ASN X 348
ALA X 370
PHE X 373
 None
None
None
None
GLC  X1576 ( 4.1A)
 1.14A 3aodA-1ogoX:
undetectable		 3aodA-1ogoX:
20.30
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.
3AXT_A_SAMA397_0
(PROBABLE
N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE
TRM1)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ALA A 118
ILE A 132
GLU A 459
ALA A  69
PHE A  91
 None
None
GLC  A1769 ( 4.6A)
None
None
 1.26A 3axtA-2cn3A:
undetectable		 3axtA-2cn3A:
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.
3BOG_D_DHID8_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 2ch6 N-ACETYL-D-GLUCOSAMI
NE KINASE
(Homo
sapiens) 		4 / 4 SER A 129
GLY A 128
GLY A 144
GLY A 151
 None
GLC  A1001 (-3.6A)
None
None
 0.74A 3bogB-2ch6A:
undetectable
3bogD-2ch6A:
undetectable		 3bogB-2ch6A:
undetectable
3bogD-2ch6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BXO_A_SAMA238_1
(N,N-DIMETHYLTRANSFER
ASE)		 2xd3 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN
(Streptococcus
pneumoniae) 		3 / 3 TYR A 152
GLU A 147
ASP A 102
 None
GLC  A1418 (-2.9A)
GLC  A1419 (-2.8A)
 0.81A 3bxoA-2xd3A:
undetectable		 3bxoA-2xd3A:
19.13
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.
3BXO_B_SAMB238_1
(N,N-DIMETHYLTRANSFER
ASE)		 2xd3 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN
(Streptococcus
pneumoniae) 		3 / 3 TYR A 152
GLU A 147
ASP A 102
 None
GLC  A1418 (-2.9A)
GLC  A1419 (-2.8A)
 0.80A 3bxoB-2xd3A:
undetectable		 3bxoB-2xd3A:
19.13
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.
3CCF_B_BEZB261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		4 / 8 HIS A 368
ASN A 370
ILE A 324
PHE A 319
 GLC  A 703 (-4.0A)
None
None
None
 1.48A 3ccfB-4hozA:
undetectable		 3ccfB-4hozA:
19.30
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.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		3 / 3 CYH A 179
PHE A 178
PHE A 159
 None
GLC  A 601 (-3.4A)
GLC  A 601 (-4.6A)
 0.74A 3cr5X-3axiA:
undetectable		 3cr5X-3axiA:
9.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DD1_A_CFFA903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		4 / 6 HIS A 536
ALA A 575
GLY A 577
TYR A 578
 GLC  A 995 (-4.4A)
GLC  A 995 (-3.5A)
None
GLC  A 995 (-3.8A)
 0.76A 3dd1A-1e4oA:
49.7		 3dd1A-1e4oA:
42.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DD1_B_CFFB903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		4 / 6 HIS A 536
ALA A 575
GLY A 577
TYR A 578
 GLC  A 995 (-4.4A)
GLC  A 995 (-3.5A)
None
GLC  A 995 (-3.8A)
 0.79A 3dd1B-1e4oA:
48.0		 3dd1B-1e4oA:
42.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DDS_A_CFFA904_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		4 / 6 HIS A 536
ALA A 575
GLY A 577
TYR A 578
 GLC  A 995 (-4.4A)
GLC  A 995 (-3.5A)
None
GLC  A 995 (-3.8A)
 0.79A 3ddsA-1e4oA:
50.0		 3ddsA-1e4oA:
42.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DDS_B_CFFB903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		4 / 6 HIS A 536
ALA A 575
GLY A 577
TYR A 578
 GLC  A 995 (-4.4A)
GLC  A 995 (-3.5A)
None
GLC  A 995 (-3.8A)
 0.77A 3ddsB-1e4oA:
47.9		 3ddsB-1e4oA:
42.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DDW_A_CFFA903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		4 / 6 HIS A 536
ALA A 575
GLY A 577
TYR A 578
 GLC  A 995 (-4.4A)
GLC  A 995 (-3.5A)
None
GLC  A 995 (-3.8A)
 0.80A 3ddwA-1e4oA:
50.1		 3ddwA-1e4oA:
42.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DDW_B_CFFB903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		4 / 6 HIS A 536
ALA A 575
GLY A 577
TYR A 578
 GLC  A 995 (-4.4A)
GLC  A 995 (-3.5A)
None
GLC  A 995 (-3.8A)
 0.80A 3ddwB-1e4oA:
48.3		 3ddwB-1e4oA:
42.82
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.
3DEU_A_SALA301_1
(TRANSCRIPTIONAL
REGULATOR SLYA)		 5x3j GLYCOSIDE HYDROLASE
FAMILY 31
(Kribbella
flavida) 		4 / 6 TRP A 372
ARG A 500
TRP A 513
HIS A 575
 GLC  A 822 ( 4.3A)
GLC  A 819 ( 2.9A)
GLC  A 822 ( 4.6A)
GLC  A 822 ( 4.0A)
 1.42A 3deuA-5x3jA:
undetectable		 3deuA-5x3jA:
24.10
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.
3E68_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		3 / 3 ARG A 200
ILE A 233
TRP A 234
 GLC  A 603 (-3.4A)
None
GLC  A 501 (-3.4A)
 1.13A 3e68A-2z1kA:
undetectable		 3e68A-2z1kA:
20.58
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.
3E6T_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		3 / 3 ARG A 200
ILE A 233
TRP A 234
 GLC  A 603 (-3.4A)
None
GLC  A 501 (-3.4A)
 1.20A 3e6tB-2z1kA:
undetectable		 3e6tB-2z1kA:
20.58
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.
3EEY_J_SAMJ300_0
(PUTATIVE RRNA
METHYLASE)		 2ch6 N-ACETYL-D-GLUCOSAMI
NE KINASE
(Homo
sapiens) 		5 / 12 GLY A  77
ASP A 107
ILE A 124
ASN A  36
THR A 127
 GLC  A1001 ( 4.6A)
GLC  A1001 (-2.9A)
GLC  A1001 (-4.0A)
None
ADP  A 470 (-3.3A)
 1.19A 3eeyJ-2ch6A:
undetectable		 3eeyJ-2ch6A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FPJ_A_SAMA301_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 5x3j GLYCOSIDE HYDROLASE
FAMILY 31
(Kribbella
flavida) 		4 / 6 GLY A 453
GLU A 454
GLU A 189
GLU A 171
 None
None
GLC  A 819 ( 2.8A)
None
 0.99A 3fpjA-5x3jA:
undetectable		 3fpjA-5x3jA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FZG_A_SAMA300_0
(16S RRNA METHYLASE)		 1ven BETA-AMYLASE
(Bacillus
cereus) 		5 / 12 HIS A  89
SER A  87
THR A  88
GLY A 168
LEU A 165
 GLC  A 900 (-4.0A)
GLC  A 900 ( 4.3A)
None
None
None
 1.15A 3fzgA-1venA:
undetectable		 3fzgA-1venA:
18.80
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.
3FZG_A_SAMA300_0
(16S RRNA METHYLASE)		 1ven BETA-AMYLASE
(Bacillus
cereus) 		5 / 12 HIS A  89
SER A  87
THR A  88
GLY A 171
LEU A 165
 GLC  A 900 (-4.0A)
GLC  A 900 ( 4.3A)
None
GLC  A 900 ( 4.9A)
None
 1.26A 3fzgA-1venA:
undetectable		 3fzgA-1venA:
18.80
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.
3G88_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 1n3p LECTIN PAL
(Pterocarpus
angolensis) 		5 / 11 GLY A 105
PHE A 111
ASP A  86
ALA A  85
ALA A  44
 GLC  A 253 ( 3.8A)
None
GLC  A 253 (-2.7A)
GLC  A 253 ( 3.7A)
None
 1.11A 3g88A-1n3pA:
0.0		 3g88A-1n3pA:
16.73
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.
3G88_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 1n3p LECTIN PAL
(Pterocarpus
angolensis) 		5 / 11 GLY A 105
PHE A 111
ASP A  86
ALA A  85
ALA A  44
 GLC  A 253 ( 3.8A)
None
GLC  A 253 (-2.7A)
GLC  A 253 ( 3.7A)
None
 1.11A 3g88B-1n3pA:
undetectable		 3g88B-1n3pA:
16.73
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.
3GAL_A_1GNA998_1
(GALECTIN-7)		 3wuc GALECTIN
(Xenopus
laevis) 		6 / 6 HIS A  47
ASN A  49
ARG A  51
ASN A  64
TRP A  71
GLU A  74
 GAL  A 202 ( 3.9A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
GAL  A 202 (-3.9A)
GAL  A 202 ( 3.7A)
GLC  A 201 (-2.8A)
 0.25A 3galA-3wucA:
18.7		 3galA-3wucA:
25.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_A_1GNA998_1
(GALECTIN-7)		 3wud GALECTIN
(Xenopus
laevis) 		6 / 6 HIS A  45
ASN A  47
ARG A  49
ASN A  62
TRP A  69
GLU A  72
 GAL  A 202 (-3.8A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
GAL  A 202 (-3.9A)
GAL  A 202 (-3.9A)
GLC  A 201 (-2.7A)
 0.17A 3galA-3wudA:
19.6		 3galA-3wudA:
30.77
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.
3GAL_A_1GNA998_1
(GALECTIN-7)		 3wv6 GALECTIN-9
(Homo
sapiens) 		6 / 6 HIS A 235
ASN A 237
ARG A 239
ASN A 248
TRP A 255
GLU A 258
 GAL  A 404 (-4.0A)
GAL  A 404 (-4.1A)
GLC  A 405 (-2.7A)
GAL  A 404 (-3.7A)
GAL  A 404 ( 3.7A)
GLC  A 405 ( 2.8A)
 0.20A 3galA-3wv6A:
22.8		 3galA-3wv6A:
23.33
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.
3GAL_B_1GNB999_1
(GALECTIN-7)		 3wuc GALECTIN
(Xenopus
laevis) 		6 / 6 HIS A  47
ASN A  49
ARG A  51
ASN A  64
TRP A  71
GLU A  74
 GAL  A 202 ( 3.9A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
GAL  A 202 (-3.9A)
GAL  A 202 ( 3.7A)
GLC  A 201 (-2.8A)
 0.25A 3galB-3wucA:
18.3		 3galB-3wucA:
25.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_B_1GNB999_1
(GALECTIN-7)		 3wud GALECTIN
(Xenopus
laevis) 		6 / 6 HIS A  45
ASN A  47
ARG A  49
ASN A  62
TRP A  69
GLU A  72
 GAL  A 202 (-3.8A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
GAL  A 202 (-3.9A)
GAL  A 202 (-3.9A)
GLC  A 201 (-2.7A)
 0.26A 3galB-3wudA:
19.2		 3galB-3wudA:
30.77
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.
3GAL_B_1GNB999_1
(GALECTIN-7)		 3wv6 GALECTIN-9
(Homo
sapiens) 		6 / 6 HIS A 235
ASN A 237
ARG A 239
ASN A 248
TRP A 255
GLU A 258
 GAL  A 404 (-4.0A)
GAL  A 404 (-4.1A)
GLC  A 405 (-2.7A)
GAL  A 404 (-3.7A)
GAL  A 404 ( 3.7A)
GLC  A 405 ( 2.8A)
 0.36A 3galB-3wv6A:
22.7		 3galB-3wv6A:
23.33
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.
3GWV_A_RFXA801_1
(TRANSPORTER)		 4bpz ENDO-1,3-BETA-GLUCAN
ASE, FAMILY GH16
(Zobellia
galactanivorans) 		5 / 12 LEU A 214
LEU A 353
ARG A 213
ILE A 193
ALA A 240
 None
None
BGC  A 402 ( 3.9A)
None
GLC  A 401 ( 3.5A)
 1.03A 3gwvA-4bpzA:
undetectable		 3gwvA-4bpzA:
19.78
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.
3IV6_B_SAMB301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 5axh DEXTRANASE
(Thermoanaerobact
er
pseudethanolicus) 		5 / 12 PHE A 453
GLY A 443
ASP A 444
ILE A 170
LEU A 181
 GLC  A 704 ( 4.5A)
None
None
None
None
 1.09A 3iv6B-5axhA:
undetectable		 3iv6B-5axhA:
18.90
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.
3J6G_B_TA1B502_1
(TUBULIN BETA CHAIN)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		5 / 10 VAL A 216
HIS A 112
PHE A 159
GLN A  67
ARG A 213
 GLC  A 601 (-4.5A)
GLC  A 601 (-4.0A)
GLC  A 601 (-4.6A)
None
GLC  A 601 (-3.0A)
 1.28A 3j6gB-3axiA:
2.0		 3j6gB-3axiA:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6G_D_TA1D502_1
(TUBULIN BETA CHAIN)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		5 / 10 VAL A 216
HIS A 112
PHE A 159
GLN A  67
ARG A 213
 GLC  A 601 (-4.5A)
GLC  A 601 (-4.0A)
GLC  A 601 (-4.6A)
None
GLC  A 601 (-3.0A)
 1.28A 3j6gD-3axiA:
2.8		 3j6gD-3axiA:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6G_F_TA1F502_1
(TUBULIN BETA CHAIN)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		5 / 10 VAL A 216
HIS A 112
PHE A 159
GLN A  67
ARG A 213
 GLC  A 601 (-4.5A)
GLC  A 601 (-4.0A)
GLC  A 601 (-4.6A)
None
GLC  A 601 (-3.0A)
 1.28A 3j6gF-3axiA:
2.0		 3j6gF-3axiA:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6G_H_TA1H502_1
(TUBULIN BETA CHAIN)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		5 / 10 VAL A 216
HIS A 112
PHE A 159
GLN A  67
ARG A 213
 GLC  A 601 (-4.5A)
GLC  A 601 (-4.0A)
GLC  A 601 (-4.6A)
None
GLC  A 601 (-3.0A)
 1.28A 3j6gH-3axiA:
2.0		 3j6gH-3axiA:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6G_J_TA1J502_1
(TUBULIN BETA CHAIN)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		5 / 10 VAL A 216
HIS A 112
PHE A 159
GLN A  67
ARG A 213
 GLC  A 601 (-4.5A)
GLC  A 601 (-4.0A)
GLC  A 601 (-4.6A)
None
GLC  A 601 (-3.0A)
 1.28A 3j6gJ-3axiA:
2.1		 3j6gJ-3axiA:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6G_L_TA1L502_1
(TUBULIN BETA CHAIN)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		5 / 10 VAL A 216
HIS A 112
PHE A 159
GLN A  67
ARG A 213
 GLC  A 601 (-4.5A)
GLC  A 601 (-4.0A)
GLC  A 601 (-4.6A)
None
GLC  A 601 (-3.0A)
 1.28A 3j6gL-3axiA:
2.0		 3j6gL-3axiA:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6G_N_TA1N502_1
(TUBULIN BETA CHAIN)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		5 / 10 VAL A 216
HIS A 112
PHE A 159
GLN A  67
ARG A 213
 GLC  A 601 (-4.5A)
GLC  A 601 (-4.0A)
GLC  A 601 (-4.6A)
None
GLC  A 601 (-3.0A)
 1.28A 3j6gN-3axiA:
2.9		 3j6gN-3axiA:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6G_P_TA1P502_1
(TUBULIN BETA CHAIN)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		5 / 10 VAL A 216
HIS A 112
PHE A 159
GLN A  67
ARG A 213
 GLC  A 601 (-4.5A)
GLC  A 601 (-4.0A)
GLC  A 601 (-4.6A)
None
GLC  A 601 (-3.0A)
 1.28A 3j6gP-3axiA:
2.8		 3j6gP-3axiA:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6G_R_TA1R502_1
(TUBULIN BETA CHAIN)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		5 / 10 VAL A 216
HIS A 112
PHE A 159
GLN A  67
ARG A 213
 GLC  A 601 (-4.5A)
GLC  A 601 (-4.0A)
GLC  A 601 (-4.6A)
None
GLC  A 601 (-3.0A)
 1.28A 3j6gR-3axiA:
2.0		 3j6gR-3axiA:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JAY_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		 1ven BETA-AMYLASE
(Bacillus
cereus) 		6 / 12 GLY A 168
GLY A 167
ALA A 286
ALA A 170
PRO A 176
TYR A 310
 None
None
None
GLC  A 900 ( 4.0A)
None
None
 1.18A 3jayA-1venA:
undetectable		 3jayA-1venA:
18.64
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.
3JQA_B_DX4B270_0
(PTERIDINE REDUCTASE
1)		 1q2e EXOCELLOBIOHYDROLASE
I
(Trichoderma
reesei) 		4 / 6 SER A 365
ASP A 214
TYR A 145
PRO A 177
 None
GLC  A 904 (-3.9A)
None
None
 1.50A 3jqaB-1q2eA:
undetectable		 3jqaB-1q2eA:
21.82
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.
3JQA_D_DX4D270_0
(PTERIDINE REDUCTASE
1)		 1q2e EXOCELLOBIOHYDROLASE
I
(Trichoderma
reesei) 		4 / 6 SER A 365
ASP A 214
TYR A 145
PRO A 177
 None
GLC  A 904 (-3.9A)
None
None
 1.49A 3jqaD-1q2eA:
undetectable		 3jqaD-1q2eA:
21.82
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.
3JWQ_C_VIAC901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 2osy ENDOGLYCOCERAMIDASE
II
(Rhodococcus
sp.) 		4 / 7 HIS A 135
LEU A 249
PHE A 191
VAL A 187
 GLC  A 600 (-4.1A)
None
None
None
 1.10A 3jwqC-2osyA:
undetectable		 3jwqC-2osyA:
21.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN
(Escherichia
coli;
Staphylococcus
aureus) 		10 / 12 ASP A  14
LYS A  15
LYS A  42
GLU A  44
GLU A  45
ALA A  63
ASP A  65
ARG A  66
GLU A 111
TRP A 230
 GLC  A 672 (-3.0A)
GLC  A 672 (-2.3A)
None
None
None
GLC  A 671 ( 3.2A)
GLC  A 671 (-2.8A)
GLC  A 671 (-3.6A)
GLC  A 672 (-2.7A)
GLC  A 672 (-4.2A)
 0.81A 3jyrA-1hsjA:
61.1		 3jyrA-1hsjA:
87.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN
(Escherichia
coli;
Staphylococcus
aureus) 		10 / 12 ASP A  14
LYS A  15
LYS A  42
GLU A  44
GLU A  45
ALA A  63
ASP A  65
GLU A 111
PRO A 154
TRP A 230
 GLC  A 672 (-3.0A)
GLC  A 672 (-2.3A)
None
None
None
GLC  A 671 ( 3.2A)
GLC  A 671 (-2.8A)
GLC  A 672 (-2.7A)
GLC  A 671 (-3.1A)
GLC  A 672 (-4.2A)
 0.61A 3jyrA-1hsjA:
61.1		 3jyrA-1hsjA:
87.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN
(Escherichia
coli;
Staphylococcus
aureus) 		9 / 12 LYS A  42
GLU A  44
GLU A  45
ALA A  63
ASP A  65
ARG A  66
GLU A 111
TRP A 230
TYR A 341
 None
None
None
GLC  A 671 ( 3.2A)
GLC  A 671 (-2.8A)
GLC  A 671 (-3.6A)
GLC  A 672 (-2.7A)
GLC  A 672 (-4.2A)
None
 0.93A 3jyrA-1hsjA:
61.1		 3jyrA-1hsjA:
87.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN
(Escherichia
coli;
Staphylococcus
aureus) 		9 / 12 LYS A  42
GLU A  44
GLU A  45
ALA A  63
ASP A  65
GLU A 111
PRO A 154
TRP A 230
TYR A 341
 None
None
None
GLC  A 671 ( 3.2A)
GLC  A 671 (-2.8A)
GLC  A 672 (-2.7A)
GLC  A 671 (-3.1A)
GLC  A 672 (-4.2A)
None
 0.71A 3jyrA-1hsjA:
61.1		 3jyrA-1hsjA:
87.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 1y4c MALTOSE BINDING
PROTEIN FUSED WITH
DESIGNED HELICAL
PROTEIN
(Escherichia
coli) 		9 / 12 ASP A  14
LYS A  15
LYS A  42
GLU A  44
ALA A  63
ASP A  65
ARG A  66
GLU A 111
TRP A 230
 GLC  A 371 (-3.2A)
GLC  A 371 (-2.7A)
None
None
GLC  A 371 ( 3.2A)
GLC  A 372 (-2.8A)
GLC  A 372 (-3.8A)
GLC  A 371 (-2.9A)
GLC  A 371 ( 4.6A)
 0.77A 3jyrA-1y4cA:
62.4		 3jyrA-1y4cA:
70.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 3dm0 MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH RACK1
(Arabidopsis
thaliana;
Escherichia
coli) 		12 / 12 ASP A  14
LYS A  15
LYS A  42
GLU A  44
GLU A  45
ALA A  63
ASP A  65
ARG A  66
GLU A 111
PRO A 154
TRP A 230
TYR A 341
 GLC  A 672 (-3.1A)
GLC  A 672 (-2.4A)
None
EDO  A 401 (-3.7A)
EDO  A 401 ( 4.4A)
GLC  A 672 ( 3.2A)
GLC  A 671 (-2.8A)
EDO  A 401 ( 4.8A)
GLC  A 672 (-2.8A)
GLC  A 671 (-3.3A)
GLC  A 672 (-4.4A)
EDO  A 401 ( 4.5A)
 0.45A 3jyrA-3dm0A:
62.1		 3jyrA-3dm0A:
52.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 3f5f MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HEPARAN SULFATE
2-O-SULFOTRANSFERASE
1
(Escherichia
coli;
Gallus
gallus) 		9 / 12 ASP A  14
LYS A  15
LYS A  42
GLU A  44
GLU A  45
ALA A  63
ARG A  66
GLU A 111
TRP A 230
 GLC  A 672 (-3.2A)
GLC  A 672 (-2.9A)
None
GLC  A 671 ( 4.9A)
None
GLC  A 671 ( 3.4A)
GLC  A 671 (-3.9A)
GLC  A 672 (-2.7A)
GLC  A 672 (-4.3A)
 0.82A 3jyrA-3f5fA:
60.3		 3jyrA-3f5fA:
57.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 3f5f MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HEPARAN SULFATE
2-O-SULFOTRANSFERASE
1
(Escherichia
coli;
Gallus
gallus) 		10 / 12 ASP A  14
LYS A  15
LYS A  42
GLU A  44
GLU A  45
ALA A  63
ASP A  65
GLU A 111
PRO A 154
TRP A 230
 GLC  A 672 (-3.2A)
GLC  A 672 (-2.9A)
None
GLC  A 671 ( 4.9A)
None
GLC  A 671 ( 3.4A)
GLC  A 671 (-2.9A)
GLC  A 672 (-2.7A)
GLC  A 671 (-3.2A)
GLC  A 672 (-4.3A)
 0.49A 3jyrA-3f5fA:
60.3		 3jyrA-3f5fA:
57.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 3h4z MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH ALLERGEN
DERP7
(Dermatophagoides
pteronyssinus;
Escherichia
coli) 		9 / 12 ASP A  14
LYS A  15
GLU A  44
GLU A  45
ALA A  63
ASP A  65
GLU A 111
PRO A 154
TRP A 230
 GLC  A 672 (-3.1A)
GLC  A 672 (-2.7A)
None
None
GLC  A 671 ( 3.3A)
GLC  A 671 (-2.8A)
GLC  A 672 (-3.0A)
GLC  A 671 (-3.6A)
GLC  A 672 ( 4.6A)
 0.68A 3jyrA-3h4zA:
62.1		 3jyrA-3h4zA:
62.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 4qsz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
JMJC
DOMAIN-CONTAINING
PROTEIN 7 CHIMERA
(Escherichia
coli;
Mus
musculus) 		12 / 12 ASP A-357
LYS A-356
LYS A-329
GLU A-327
GLU A-326
ALA A-308
ASP A-306
ARG A-305
GLU A-260
PRO A-217
TRP A-141
TYR A -30
 GLC  A 901 (-2.9A)
GLC  A 901 (-3.0A)
None
FLC  A 903 (-3.9A)
FLC  A 903 (-3.5A)
GLC  A 902 (-3.1A)
GLC  A 902 (-2.9A)
FLC  A 903 (-3.9A)
GLC  A 901 (-3.1A)
GLC  A 902 ( 3.7A)
GLC  A 901 (-4.0A)
FLC  A 903 (-3.9A)
 0.39A 3jyrA-4qszA:
60.3		 3jyrA-4qszA:
50.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 5t03 MALTOSE BINDING
PROTEIN - HEPARAN
SULFATE
6-O-SULFOTRANSFERASE
ISOFORM 3 FUSION
PROTEIN
(Danio
rerio;
Escherichia
coli) 		12 / 12 ASP A  14
LYS A  15
LYS A  42
GLU A  44
GLU A  45
ALA A  63
ASP A  65
ARG A  66
GLU A 111
PRO A 154
TRP A 230
TYR A 341
 GLC  A1412 ( 3.0A)
GLC  A1412 ( 2.7A)
GLC  A1409 (-3.3A)
GLC  A1409 ( 2.9A)
GLC  A1409 ( 3.7A)
GLC  A1411 ( 3.2A)
GLC  A1411 (-2.7A)
GLC  A1410 (-3.8A)
GLC  A1412 (-3.0A)
GLC  A1411 ( 3.6A)
GLC  A1412 ( 4.4A)
GLC  A1410 (-4.6A)
 0.30A 3jyrA-5t03A:
62.7		 3jyrA-5t03A:
56.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN
(Escherichia
coli;
Staphylococcus
aureus) 		6 / 7 ASN A  12
TRP A  62
GLU A 153
TYR A 155
MET A 330
TRP A 340
 GLC  A 672 (-3.9A)
GLC  A 671 (-4.1A)
GLC  A 671 (-4.3A)
GLC  A 671 ( 4.1A)
GLC  A 671 ( 4.3A)
GLC  A 671 (-3.4A)
 0.34A 3jyrA-1hsjA:
61.1		 3jyrA-1hsjA:
87.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 1y4c MALTOSE BINDING
PROTEIN FUSED WITH
DESIGNED HELICAL
PROTEIN
(Escherichia
coli) 		6 / 7 ASN A  12
TRP A  62
GLU A 153
TYR A 155
MET A 330
TRP A 340
 GLC  A 371 (-4.4A)
GLC  A 372 (-4.3A)
GLC  A 372 ( 3.7A)
GLC  A 371 (-3.9A)
GLC  A 372 ( 4.3A)
GLC  A 372 (-3.6A)
 0.22A 3jyrA-1y4cA:
62.4		 3jyrA-1y4cA:
70.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 1y4c MALTOSE BINDING
PROTEIN FUSED WITH
DESIGNED HELICAL
PROTEIN
(Escherichia
coli) 		5 / 7 TRP A  62
TYR A 155
MET A 330
TRP A 340
ARG A 344
 GLC  A 372 (-4.3A)
GLC  A 371 (-3.9A)
GLC  A 372 ( 4.3A)
GLC  A 372 (-3.6A)
None
 0.58A 3jyrA-1y4cA:
62.4		 3jyrA-1y4cA:
70.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 3dm0 MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH RACK1
(Arabidopsis
thaliana;
Escherichia
coli) 		6 / 7 ASN A  12
TRP A  62
GLU A 153
TYR A 155
MET A 330
TRP A 340
 GLC  A 672 ( 4.5A)
GLC  A 671 (-4.7A)
EDO  A 401 (-3.4A)
GLC  A 672 (-3.9A)
GLC  A 671 ( 4.4A)
GLC  A 671 (-3.7A)
 0.20A 3jyrA-3dm0A:
62.1		 3jyrA-3dm0A:
52.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 3f5f MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HEPARAN SULFATE
2-O-SULFOTRANSFERASE
1
(Escherichia
coli;
Gallus
gallus) 		6 / 7 ASN A  12
TRP A  62
GLU A 153
TYR A 155
MET A 330
TRP A 340
 GLC  A 672 (-4.5A)
GLC  A 671 (-4.5A)
GLC  A 672 ( 4.2A)
GLC  A 672 (-3.8A)
GLC  A 671 ( 4.3A)
GLC  A 671 (-3.8A)
 0.28A 3jyrA-3f5fA:
60.3		 3jyrA-3f5fA:
57.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 3h4z MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH ALLERGEN
DERP7
(Dermatophagoides
pteronyssinus;
Escherichia
coli) 		6 / 7 ASN A  12
TRP A  62
GLU A 153
TYR A 155
MET A 330
TRP A 340
 GLC  A 672 (-4.0A)
GLC  A 671 (-4.4A)
GLC  A 671 ( 3.7A)
GLC  A 672 (-3.9A)
GLC  A 671 ( 4.4A)
GLC  A 671 (-3.6A)
 0.27A 3jyrA-3h4zA:
62.1		 3jyrA-3h4zA:
62.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 3h4z MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH ALLERGEN
DERP7
(Dermatophagoides
pteronyssinus;
Escherichia
coli) 		6 / 7 ASN A  12
TRP A  62
TYR A 155
MET A 330
TRP A 340
ARG A 344
 GLC  A 672 (-4.0A)
GLC  A 671 (-4.4A)
GLC  A 672 (-3.9A)
GLC  A 671 ( 4.4A)
GLC  A 671 (-3.6A)
None
 0.63A 3jyrA-3h4zA:
62.1		 3jyrA-3h4zA:
62.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 4qsz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
JMJC
DOMAIN-CONTAINING
PROTEIN 7 CHIMERA
(Escherichia
coli;
Mus
musculus) 		6 / 7 ASN A-359
TRP A-309
GLU A-218
TYR A-216
MET A -41
TRP A -31
 GLC  A 901 (-4.7A)
GLC  A 902 (-3.9A)
FLC  A 903 (-3.0A)
GLC  A 901 ( 3.8A)
GLC  A 902 ( 4.1A)
GLC  A 902 ( 3.6A)
 0.19A 3jyrA-4qszA:
60.3		 3jyrA-4qszA:
50.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 4qsz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
JMJC
DOMAIN-CONTAINING
PROTEIN 7 CHIMERA
(Escherichia
coli;
Mus
musculus) 		5 / 7 GLU A-218
TYR A-216
MET A -41
TRP A -31
ARG A -27
 FLC  A 903 (-3.0A)
GLC  A 901 ( 3.8A)
GLC  A 902 ( 4.1A)
GLC  A 902 ( 3.6A)
FLC  A 903 (-2.9A)
 0.90A 3jyrA-4qszA:
60.3		 3jyrA-4qszA:
50.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 5t03 MALTOSE BINDING
PROTEIN - HEPARAN
SULFATE
6-O-SULFOTRANSFERASE
ISOFORM 3 FUSION
PROTEIN
(Danio
rerio;
Escherichia
coli) 		6 / 7 ASN A  12
TRP A  62
GLU A 153
TYR A 155
MET A 330
TRP A 340
 GLC  A1412 ( 4.7A)
GLC  A1411 ( 4.3A)
GLC  A1410 ( 3.0A)
GLC  A1412 ( 3.8A)
GLC  A1411 (-4.2A)
GLC  A1411 ( 3.8A)
 0.20A 3jyrA-5t03A:
62.7		 3jyrA-5t03A:
56.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 5t03 MALTOSE BINDING
PROTEIN - HEPARAN
SULFATE
6-O-SULFOTRANSFERASE
ISOFORM 3 FUSION
PROTEIN
(Danio
rerio;
Escherichia
coli) 		6 / 7 ASN A  12
TRP A  62
TYR A 155
MET A 330
TRP A 340
ARG A 344
 GLC  A1412 ( 4.7A)
GLC  A1411 ( 4.3A)
GLC  A1412 ( 3.8A)
GLC  A1411 (-4.2A)
GLC  A1411 ( 3.8A)
GLC  A1409 (-3.9A)
 0.62A 3jyrA-5t03A:
62.7		 3jyrA-5t03A:
56.56
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.
3K4V_B_ROCB201_4
(HIV-1 PROTEASE)		 5t03 MALTOSE BINDING
PROTEIN - HEPARAN
SULFATE
6-O-SULFOTRANSFERASE
ISOFORM 3 FUSION
PROTEIN
(Danio
rerio;
Escherichia
coli) 		4 / 4 ARG A 344
ASP A 184
GLY A 166
THR A 157
 GLC  A1409 (-3.9A)
None
None
None
 1.16A 3k4vB-5t03A:
undetectable		 3k4vB-5t03A:
8.27
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.
3K8M_A_ACRA720_1
(ALPHA-AMYLASE, SUSG)		 2j44 ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		4 / 7 TRP A  40
LEU A  74
TRP A  30
ASN A  76
 GLC  A1229 (-3.4A)
None
GLC  A1230 ( 3.7A)
None
 1.10A 3k8mA-2j44A:
undetectable		 3k8mA-2j44A:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K8M_A_ACRA720_1
(ALPHA-AMYLASE, SUSG)		 2j44 ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 7 TRP A 137
LEU A 178
TRP A 148
LYS A 188
ASN A 193
 GLC  A1228 (-3.8A)
None
GLC  A1227 (-3.7A)
GLC  A1227 (-2.5A)
GLC  A1228 (-2.7A)
 0.82A 3k8mA-2j44A:
undetectable		 3k8mA-2j44A:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K8M_A_ACRA720_1
(ALPHA-AMYLASE, SUSG)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		4 / 7 TRP A 168
LEU A 202
TRP A 158
ASN A 204
 GLC  A2146 (-3.6A)
None
GLC  A2147 (-3.7A)
None
 1.05A 3k8mA-2ya1A:
21.8		 3k8mA-2ya1A:
22.64
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.
3K8M_A_ACRA720_1
(ALPHA-AMYLASE, SUSG)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 7 TRP A 265
LEU A 306
TRP A 276
LYS A 318
ASN A 323
 GLC  A2159 (-3.8A)
None
GLC  A2158 (-3.6A)
GLC  A2158 (-2.8A)
GLC  A2159 (-3.1A)
 0.66A 3k8mA-2ya1A:
21.8		 3k8mA-2ya1A:
22.64
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.
3K8M_A_ACRA720_1
(ALPHA-AMYLASE, SUSG)		 6b3p AMY13K
([Eubacterium]
rectale) 		4 / 7 TYR A 297
TRP A 299
TRP A 314
ASN A 355
 GLC  A 405 (-3.2A)
GLC  A 406 ( 2.9A)
GLC  A 405 (-2.7A)
GLC  A 406 (-2.8A)
 0.76A 3k8mA-6b3pA:
2.7		 3k8mA-6b3pA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K8M_B_ACRB820_1
(ALPHA-AMYLASE, SUSG)		 2j44 ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		4 / 7 TRP A  40
LEU A  74
TRP A  30
ASN A  76
 GLC  A1229 (-3.4A)
None
GLC  A1230 ( 3.7A)
None
 1.09A 3k8mB-2j44A:
2.2		 3k8mB-2j44A:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K8M_B_ACRB820_1
(ALPHA-AMYLASE, SUSG)		 2j44 ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 7 TRP A 137
LEU A 178
TRP A 148
LYS A 188
ASN A 193
 GLC  A1228 (-3.8A)
None
GLC  A1227 (-3.7A)
GLC  A1227 (-2.5A)
GLC  A1228 (-2.7A)
 0.80A 3k8mB-2j44A:
2.2		 3k8mB-2j44A:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K8M_B_ACRB820_1
(ALPHA-AMYLASE, SUSG)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		4 / 7 TRP A 168
LEU A 202
TRP A 158
ASN A 204
 GLC  A2146 (-3.6A)
None
GLC  A2147 (-3.7A)
None
 1.05A 3k8mB-2ya1A:
0.0		 3k8mB-2ya1A:
22.64
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.
3K8M_B_ACRB820_1
(ALPHA-AMYLASE, SUSG)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 7 TRP A 265
LEU A 306
TRP A 276
LYS A 318
ASN A 323
 GLC  A2159 (-3.8A)
None
GLC  A2158 (-3.6A)
GLC  A2158 (-2.8A)
GLC  A2159 (-3.1A)
 0.64A 3k8mB-2ya1A:
0.0		 3k8mB-2ya1A:
22.64
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.
3K8M_B_ACRB820_1
(ALPHA-AMYLASE, SUSG)		 6b3p AMY13K
([Eubacterium]
rectale) 		4 / 7 TYR A 297
TRP A 299
TRP A 314
ASN A 355
 GLC  A 405 (-3.2A)
GLC  A 406 ( 2.9A)
GLC  A 405 (-2.7A)
GLC  A 406 (-2.8A)
 0.78A 3k8mB-6b3pA:
3.5		 3k8mB-6b3pA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KHM_A_TPFA501_1
(STEROL 14
ALPHA-DEMETHYLASE)		 5axh DEXTRANASE
(Thermoanaerobact
er
pseudethanolicus) 		4 / 8 TYR A 235
TYR A 184
THR A 276
LEU A 279
 GLC  A 703 ( 4.7A)
GLC  A 703 ( 4.4A)
None
None
 0.98A 3khmA-5axhA:
undetectable		 3khmA-5axhA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 5 ASN A 336
ALA A 337
ALA A 334
ARG A 294
 None
None
None
GLC  A1700 (-4.0A)
 1.34A 3kp2B-1kclA:
undetectable		 3kp2B-1kclA:
12.21
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.
3KP6_B_SALB3004_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		4 / 5 ILE A 788
PHE A 777
ASP A 778
GLU A 807
 None
None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
 1.18A 3kp6A-2ya1A:
undetectable
3kp6B-2ya1A:
undetectable		 3kp6A-2ya1A:
10.21
3kp6B-2ya1A:
10.21
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.
3KU9_B_SPMB700_1
(POLYAMINE OXIDASE)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		4 / 7 TYR A 436
TYR A 598
PHE A 537
TYR A 590
 GLC  A1118 (-4.8A)
None
None
None
 1.28A 3ku9B-5f7uA:
undetectable		 3ku9B-5f7uA:
18.06
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.
3KU9_B_SPMB700_1
(POLYAMINE OXIDASE)		 5x7h CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Paenibacillus
sp.
598K) 		4 / 7 GLU A 170
TYR A 519
TYR A 470
TYR A 175
 None
GLC  A 818 ( 3.8A)
GLC  A 820 ( 4.7A)
None
 1.09A 3ku9B-5x7hA:
undetectable		 3ku9B-5x7hA:
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.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		 2osy ENDOGLYCOCERAMIDASE
II
(Rhodococcus
sp.) 		5 / 12 ARG A  93
ASP A 133
HIS A 135
ASP A 137
TYR A 306
 None
None
GLC  A 600 (-4.1A)
GLC  A 600 ( 2.4A)
GLC  A 600 ( 4.5A)
 1.49A 3lmyA-2osyA:
13.5		 3lmyA-2osyA:
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.
3MB5_A_SAMA301_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN
(Escherichia
coli;
Staphylococcus
aureus) 		5 / 12 ALA A 162
LEU A 160
ILE A 348
ARG A 344
LEU A 151
 None
None
None
GLC  A 671 (-4.4A)
None
 0.99A 3mb5A-1hsjA:
undetectable		 3mb5A-1hsjA:
21.36
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.
3N5P_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 PHE A 615
GLU A 549
VAL A 537
ARG A 555
 None
None
None
GLC  A1008 (-3.1A)
 1.46A 3n5pA-4okdA:
undetectable
3n5pB-4okdA:
undetectable		 3n5pA-4okdA:
20.26
3n5pB-4okdA:
20.26
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.
3N5Q_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 VAL A 537
ARG A 555
PHE A 615
GLU A 549
 None
GLC  A1008 (-3.1A)
None
None
 1.33A 3n5qA-4okdA:
undetectable
3n5qB-4okdA:
0.0		 3n5qA-4okdA:
20.26
3n5qB-4okdA:
20.26
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.
3N62_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE)		 5gr1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB
(Cyanothece
sp.
ATCC
51142) 		4 / 8 SER A 709
GLN A 625
PHE A 629
ASN A 708
 None
GOL  A 824 (-4.4A)
None
GLC  A 815 ( 4.1A)
 1.26A 3n62A-5gr1A:
undetectable		 3n62A-5gr1A:
19.22
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.
3N62_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		3 / 3 GLY A 390
TRP A 229
VAL A 225
 GLC  A1005 (-3.2A)
GLC  A1006 (-4.3A)
None
 0.50A 3n62B-4okdA:
undetectable		 3n62B-4okdA:
17.14
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.
3N62_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE)		 2mpr MALTOPORIN
(Salmonella
enterica) 		4 / 8 ARG A 109
GLN A  87
ASN A  63
ASP A  61
 GLC  A 429 ( 3.0A)
None
None
None
 1.30A 3n62B-2mprA:
undetectable		 3n62B-2mprA:
21.94
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.
3N65_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		3 / 3 GLY A 390
TRP A 229
VAL A 225
 GLC  A1005 (-3.2A)
GLC  A1006 (-4.3A)
None
 0.53A 3n65B-4okdA:
undetectable		 3n65B-4okdA:
16.90
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.
3N66_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		3 / 3 GLY A 390
TRP A 229
VAL A 225
 GLC  A1005 (-3.2A)
GLC  A1006 (-4.3A)
None
 0.51A 3n66B-4okdA:
undetectable		 3n66B-4okdA:
16.90
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.
3N66_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE)		 2mpr MALTOPORIN
(Salmonella
enterica) 		4 / 8 ARG A 109
GLN A  87
ASN A  63
ASP A  61
 GLC  A 429 ( 3.0A)
None
None
None
 1.28A 3n66B-2mprA:
undetectable		 3n66B-2mprA:
21.94
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.
3N66_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE)		 5gr1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB
(Cyanothece
sp.
ATCC
51142) 		4 / 8 SER A 709
GLN A 625
PHE A 629
ASN A 708
 None
GOL  A 824 (-4.4A)
None
GLC  A 815 ( 4.1A)
 1.32A 3n66B-5gr1A:
undetectable		 3n66B-5gr1A:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		 4c51 CATALASE-PEROXIDASE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 548
THR A 475
ARG A 498
LEU A 543
LEU A 472
 None
None
GLC  A1742 ( 4.3A)
None
None
 1.30A 3ndvA-4c51A:
undetectable
3ndvB-4c51A:
undetectable		 3ndvA-4c51A:
20.30
3ndvB-4c51A:
20.30
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		 4c51 CATALASE-PEROXIDASE
(Mycobacterium
tuberculosis) 		5 / 11 LEU A 472
GLY A 548
THR A 475
ARG A 498
LEU A 543
 None
None
None
GLC  A1742 ( 4.3A)
None
 1.29A 3ndvC-4c51A:
undetectable
3ndvD-4c51A:
undetectable		 3ndvC-4c51A:
20.30
3ndvD-4c51A:
20.30
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.
3NK7_B_SAMB770_0
(23S RRNA
METHYLTRANSFERASE)		 1n3p LECTIN PAL
(Pterocarpus
angolensis) 		6 / 12 LEU A 108
GLY A 105
GLY A 220
ILE A  88
LEU A  33
VAL A  47
 None
GLC  A 253 ( 3.8A)
GLC  A 253 (-3.1A)
None
None
None
 1.46A 3nk7B-1n3pA:
undetectable		 3nk7B-1n3pA:
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.
3NLD_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 PHE A 615
GLU A 549
VAL A 537
ARG A 555
 None
None
None
GLC  A1008 (-3.1A)
 1.42A 3nldA-4okdA:
0.0
3nldB-4okdA:
undetectable		 3nldA-4okdA:
20.26
3nldB-4okdA:
20.26
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.
3NOS_A_H4BA511_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 VAL A 537
ARG A 555
PHE A 615
GLU A 549
 None
GLC  A1008 (-3.1A)
None
None
 1.46A 3nosA-4okdA:
undetectable
3nosB-4okdA:
undetectable		 3nosA-4okdA:
18.83
3nosB-4okdA:
18.83
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.
3NOS_B_H4BB1011_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 PHE A 615
GLU A 549
VAL A 537
ARG A 555
 None
None
None
GLC  A1008 (-3.1A)
 1.40A 3nosA-4okdA:
undetectable
3nosB-4okdA:
undetectable		 3nosA-4okdA:
18.83
3nosB-4okdA:
18.83
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.
3O7W_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ALA A 215
PHE A 206
ILE A 207
LEU A  81
VAL A  99
 None
None
GLC  A 468 ( 4.3A)
None
None
 1.11A 3o7wA-4b8sA:
2.5		 3o7wA-4b8sA:
20.63
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.
3OI8_A_ADNA2_1
(UNCHARACTERIZED
PROTEIN)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 6 HIS A  98
PRO A 143
LEU A 197
ASP A 229
 BGC  A1696 (-4.1A)
None
BGC  A1696 (-4.8A)
GLC  A1695 (-3.2A)
 1.28A 3oi8A-1kclA:
undetectable		 3oi8A-1kclA:
11.59
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 1ne7 GLUCOSAMINE-6-PHOSPH
ATE ISOMERASE
(Homo
sapiens) 		5 / 11 VAL A 199
PHE A  27
GLY A 130
GLY A 129
ILE A 125
 None
GLC  A 295 (-4.1A)
None
None
None
 1.39A 3owxA-1ne7A:
2.4
3owxB-1ne7A:
2.4		 3owxA-1ne7A:
20.88
3owxB-1ne7A:
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.
3PHA_A_ACRA701_1
(ALPHA-GLUCOSIDASE)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		5 / 12 ARG A 614
TRP A 627
ASP A 630
PHE A 663
HIS A 689
 GLC  A1116 (-2.8A)
GLC  A1117 (-4.6A)
GLC  A1117 (-2.7A)
GLC  A1116 (-4.6A)
GLC  A1117 (-4.1A)
 0.65A 3phaA-5f7uA:
35.0		 3phaA-5f7uA:
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.
3PHA_A_ACRA701_1
(ALPHA-GLUCOSIDASE)		 5x3j GLYCOSIDE HYDROLASE
FAMILY 31
(Kribbella
flavida) 		5 / 12 ARG A 500
TRP A 513
ASP A 516
PHE A 549
HIS A 575
 GLC  A 819 ( 2.9A)
GLC  A 822 ( 4.6A)
GLC  A 822 ( 2.8A)
GLC  A 822 ( 4.8A)
GLC  A 822 ( 4.0A)
 0.59A 3phaA-5x3jA:
31.4		 3phaA-5x3jA:
8.72
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.
3PHA_C_ACRC701_1
(ALPHA-GLUCOSIDASE)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		5 / 12 ARG A 614
TRP A 627
ASP A 630
PHE A 663
HIS A 689
 GLC  A1116 (-2.8A)
GLC  A1117 (-4.6A)
GLC  A1117 (-2.7A)
GLC  A1116 (-4.6A)
GLC  A1117 (-4.1A)
 0.62A 3phaC-5f7uA:
32.1		 3phaC-5f7uA:
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.
3PHA_C_ACRC701_1
(ALPHA-GLUCOSIDASE)		 5x3j GLYCOSIDE HYDROLASE
FAMILY 31
(Kribbella
flavida) 		5 / 12 ARG A 500
TRP A 513
ASP A 516
PHE A 549
HIS A 575
 GLC  A 819 ( 2.9A)
GLC  A 822 ( 4.6A)
GLC  A 822 ( 2.8A)
GLC  A 822 ( 4.8A)
GLC  A 822 ( 4.0A)
 0.55A 3phaC-5x3jA:
30.3		 3phaC-5x3jA:
8.72
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.
3POC_A_ACRA664_1
(ALPHA-GLUCOSIDASE)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		5 / 12 ARG A 614
TRP A 627
ASP A 630
PHE A 663
HIS A 689
 GLC  A1116 (-2.8A)
GLC  A1117 (-4.6A)
GLC  A1117 (-2.7A)
GLC  A1116 (-4.6A)
GLC  A1117 (-4.1A)
 0.62A 3pocA-5f7uA:
32.4		 3pocA-5f7uA:
20.37
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.
3POC_A_ACRA664_1
(ALPHA-GLUCOSIDASE)		 5x3j GLYCOSIDE HYDROLASE
FAMILY 31
(Kribbella
flavida) 		5 / 12 ARG A 500
TRP A 513
ASP A 516
PHE A 549
HIS A 575
 GLC  A 819 ( 2.9A)
GLC  A 822 ( 4.6A)
GLC  A 822 ( 2.8A)
GLC  A 822 ( 4.8A)
GLC  A 822 ( 4.0A)
 0.56A 3pocA-5x3jA:
30.4		 3pocA-5x3jA:
8.72
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.
3POC_B_ACRB664_1
(ALPHA-GLUCOSIDASE)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		5 / 12 ARG A 614
TRP A 627
ASP A 630
PHE A 663
HIS A 689
 GLC  A1116 (-2.8A)
GLC  A1117 (-4.6A)
GLC  A1117 (-2.7A)
GLC  A1116 (-4.6A)
GLC  A1117 (-4.1A)
 0.62A 3pocB-5f7uA:
33.9		 3pocB-5f7uA:
20.37
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.
3POC_B_ACRB664_1
(ALPHA-GLUCOSIDASE)		 5x3j GLYCOSIDE HYDROLASE
FAMILY 31
(Kribbella
flavida) 		5 / 12 ARG A 500
TRP A 513
ASP A 516
PHE A 549
HIS A 575
 GLC  A 819 ( 2.9A)
GLC  A 822 ( 4.6A)
GLC  A 822 ( 2.8A)
GLC  A 822 ( 4.8A)
GLC  A 822 ( 4.0A)
 0.57A 3pocB-5x3jA:
31.6		 3pocB-5x3jA:
8.72
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.
3QXV_D_MTXD2000_2
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		3 / 3 LEU A 534
ARG A 614
ASN A 588
 None
GLC  A1116 (-2.8A)
None
 0.74A 3qxvD-5f7uA:
3.3		 3qxvD-5f7uA:
7.89
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.
3ROD_A_NCAA302_0
(NICOTINAMIDE
N-METHYLTRANSFERASE)		 3wiq KOJIBIOSE
PHOSPHORYLASE
(Caldicellulosiru
ptor
saccharolyticus) 		4 / 8 TYR A 493
ASP A 344
ALA A 677
SER A 631
 None
GLC  A 801 (-2.4A)
None
SO4  A 803 (-3.5A)
 1.08A 3rodA-3wiqA:
undetectable		 3rodA-3wiqA:
16.54
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.
3SFU_B_RBVB601_1
(RNA POLYMERASE)		 1bdg HEXOKINASE
(Schistosoma
mansoni) 		5 / 9 THR A 234
ASN A 235
TYR A 293
GLY A 262
LEU A 270
 None
GLC  A 501 (-3.8A)
None
None
None
 1.40A 3sfuB-1bdgA:
undetectable		 3sfuB-1bdgA:
21.43
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.
3SG8_A_TOYA305_1
(APH(2'')-ID)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		5 / 12 ASN A 103
SER A 455
ASP A 369
TYR A  57
TRP A 479
 None
None
GLC  A 703 ( 2.8A)
None
None
 1.28A 3sg8A-4hozA:
2.8		 3sg8A-4hozA:
19.51
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.
3SPK_A_TPVA100_1
(HIV-1 PROTEASE)		 2bvm TOXIN B
(Clostridioides
difficile) 		5 / 11 ASN A 264
ALA A 267
ILE A 403
GLY A 470
ILE A 466
 None
None
None
GLC  A1544 (-3.2A)
None
 1.04A 3spkA-2bvmA:
undetectable		 3spkA-2bvmA:
11.18
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.
3SPK_A_TPVA100_2
(HIV-1 PROTEASE)		 2bvm TOXIN B
(Clostridioides
difficile) 		4 / 7 ASN A 264
ALA A 267
GLY A 470
ILE A 466
 None
None
GLC  A1544 (-3.2A)
None
 0.84A 3spkB-2bvmA:
undetectable		 3spkB-2bvmA:
11.18
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.
3SPK_B_TPVB100_2
(HIV-1 PROTEASE)		 2bvm TOXIN B
(Clostridioides
difficile) 		5 / 12 ASN A 264
ALA A 267
ILE A 403
GLY A 470
ILE A 466
 None
None
None
GLC  A1544 (-3.2A)
None
 0.95A 3spkB-2bvmA:
undetectable		 3spkB-2bvmA:
11.18
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.
3SUG_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 12 VAL A 262
GLY A 354
ARG A 284
ALA A 311
ASP A 313
 GLC  A1700 (-4.8A)
None
None
None
None
 1.03A 3sugA-1kclA:
undetectable		 3sugA-1kclA:
14.87
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.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN
(Escherichia
coli;
Staphylococcus
aureus) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 None
None
None
GLC  A 672 (-2.7A)
None
 0.89A 3tbgB-1hsjA:
0.0		 3tbgB-1hsjA:
20.41
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.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 1y4c MALTOSE BINDING
PROTEIN FUSED WITH
DESIGNED HELICAL
PROTEIN
(Escherichia
coli) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 None
None
None
GLC  A 371 (-2.9A)
None
 0.82A 3tbgB-1y4cA:
undetectable		 3tbgB-1y4cA:
21.34
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.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 3dm0 MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH RACK1
(Arabidopsis
thaliana;
Escherichia
coli) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 None
None
None
GLC  A 672 (-2.8A)
None
 0.82A 3tbgB-3dm0A:
undetectable		 3tbgB-3dm0A:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 3f5f MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HEPARAN SULFATE
2-O-SULFOTRANSFERASE
1
(Escherichia
coli;
Gallus
gallus) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 None
None
None
GLC  A 672 (-2.7A)
None
 0.85A 3tbgB-3f5fA:
undetectable		 3tbgB-3f5fA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 4qsz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
JMJC
DOMAIN-CONTAINING
PROTEIN 7 CHIMERA
(Escherichia
coli;
Mus
musculus) 		5 / 12 PHE A-215
GLY A -71
LEU A -72
GLU A-260
ALA A-140
 GLC  A 901 (-4.8A)
None
None
GLC  A 901 (-3.1A)
None
 0.95A 3tbgB-4qszA:
undetectable		 3tbgB-4qszA:
21.59
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.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 5t03 MALTOSE BINDING
PROTEIN - HEPARAN
SULFATE
6-O-SULFOTRANSFERASE
ISOFORM 3 FUSION
PROTEIN
(Danio
rerio;
Escherichia
coli) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 None
None
None
GLC  A1412 (-3.0A)
None
 0.83A 3tbgB-5t03A:
undetectable		 3tbgB-5t03A:
20.94
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.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN
(Escherichia
coli;
Staphylococcus
aureus) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 None
None
None
GLC  A 672 (-2.7A)
None
 0.88A 3tbgD-1hsjA:
0.0		 3tbgD-1hsjA:
20.41
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.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 1y4c MALTOSE BINDING
PROTEIN FUSED WITH
DESIGNED HELICAL
PROTEIN
(Escherichia
coli) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 None
None
None
GLC  A 371 (-2.9A)
None
 0.81A 3tbgD-1y4cA:
1.4		 3tbgD-1y4cA:
21.34
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.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 3dm0 MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH RACK1
(Arabidopsis
thaliana;
Escherichia
coli) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 None
None
None
GLC  A 672 (-2.8A)
None
 0.80A 3tbgD-3dm0A:
undetectable		 3tbgD-3dm0A:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 3f5f MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HEPARAN SULFATE
2-O-SULFOTRANSFERASE
1
(Escherichia
coli;
Gallus
gallus) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 None
None
None
GLC  A 672 (-2.7A)
None
 0.84A 3tbgD-3f5fA:
undetectable		 3tbgD-3f5fA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 4qsz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
JMJC
DOMAIN-CONTAINING
PROTEIN 7 CHIMERA
(Escherichia
coli;
Mus
musculus) 		5 / 12 PHE A-215
GLY A -71
LEU A -72
GLU A-260
ALA A-140
 GLC  A 901 (-4.8A)
None
None
GLC  A 901 (-3.1A)
None
 0.95A 3tbgD-4qszA:
undetectable		 3tbgD-4qszA:
21.59
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.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 5t03 MALTOSE BINDING
PROTEIN - HEPARAN
SULFATE
6-O-SULFOTRANSFERASE
ISOFORM 3 FUSION
PROTEIN
(Danio
rerio;
Escherichia
coli) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 None
None
None
GLC  A1412 (-3.0A)
None
 0.82A 3tbgD-5t03A:
undetectable		 3tbgD-5t03A:
20.94
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.
3THR_C_C2FC1410_0
(GLYCINE
N-METHYLTRANSFERASE)		 1eu1 DIMETHYL SULFOXIDE
REDUCTASE
(Rhodobacter
sphaeroides) 		3 / 3 ARG A 401
PRO A 423
PHE A 413
 GLC  A2004 (-4.1A)
None
None
 0.72A 3thrC-1eu1A:
0.0		 3thrC-1eu1A:
17.72
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.
3TM4_B_SAMB401_0
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1
(Ochrobactrum
anthropi) 		5 / 12 ALA A 379
LEU A  95
GLY A 376
ALA A 368
ASN A 303
 None
GLC  A 501 (-4.8A)
None
None
GLC  A 501 (-3.9A)
 1.19A 3tm4B-4r2bA:
undetectable		 3tm4B-4r2bA:
22.57
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.
3TWP_D_SALD404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)		 1fbw ENDO-1,4-BETA-GLUCAN
ASE F
([Clostridium]
cellulolyticum) 		4 / 5 ASN A 227
ALA A 228
PRO A 229
ALA A 233
 None
GLC  A3098 ( 4.0A)
None
None
 1.24A 3twpD-1fbwA:
1.6		 3twpD-1fbwA:
20.54
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.
3UBO_A_ADNA353_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		6 / 12 ASP A  34
GLY A 111
GLY A 112
ARG A 197
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
AMP  A1456 ( 4.3A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.61A 3uboA-1ua4A:
24.3		 3uboA-1ua4A:
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.
3UBO_A_ADNA353_1
(ADENOSINE KINASE)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		6 / 12 ASP A  42
GLY A 119
GLY A 120
ARG A 205
GLY A 448
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 ( 4.0A)
GLC  A 468 (-2.9A)
 0.69A 3uboA-4b8sA:
23.1		 3uboA-4b8sA:
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.
3UBO_A_ADNA353_1
(ADENOSINE KINASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		6 / 12 ASP A  37
GLY A 114
GLY A 115
ARG A 200
GLY A 440
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
8BR  A 501 (-3.2A)
GLC  A 503 ( 4.1A)
GLC  A 503 (-2.6A)
 0.63A 3uboA-5o0jA:
24.2		 3uboA-5o0jA:
12.94
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.
3UBO_A_ADNA353_1
(ADENOSINE KINASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		6 / 12 ASP A  28
GLY A 106
GLY A 107
ARG A 197
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
PO4  A 504 (-3.7A)
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 0.61A 3uboA-5od2A:
22.7		 3uboA-5od2A:
12.65
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.
3UG8_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 5jbe INACTIVE
GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 TYR A1197
GLU A1437
TYR A1435
 None
GLC  A1711 ( 3.0A)
None
 0.85A 3ug8A-5jbeA:
2.0		 3ug8A-5jbeA:
16.05
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.
3UGR_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 5jbe INACTIVE
GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 7 TYR A1403
GLU A1437
GLN A1392
TYR A1435
 None
GLC  A1711 ( 3.0A)
None
None
 1.10A 3ugrA-5jbeA:
3.5		 3ugrA-5jbeA:
16.05
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.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.46A 3uq6A-1ua4A:
24.3		 3uq6A-1ua4A:
23.27
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.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
GLY A 448
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
GLC  A 468 ( 4.0A)
GLC  A 468 (-2.9A)
 0.40A 3uq6A-4b8sA:
22.8		 3uq6A-4b8sA:
21.73
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.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
GLY A 440
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
GLC  A 503 ( 4.1A)
GLC  A 503 (-2.6A)
 0.47A 3uq6A-5o0jA:
24.0		 3uq6A-5o0jA:
11.86
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.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 0.47A 3uq6A-5od2A:
22.3		 3uq6A-5od2A:
14.41
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.
3UZZ_B_ASDB501_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 5axh DEXTRANASE
(Thermoanaerobact
er
pseudethanolicus) 		4 / 8 TYR A 184
TYR A 235
HIS A 190
LEU A 270
 GLC  A 703 ( 4.4A)
GLC  A 703 ( 4.7A)
GLC  A 703 ( 4.0A)
None
 1.37A 3uzzB-5axhA:
7.9		 3uzzB-5axhA:
20.13
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.
3V3O_B_T1CB405_1
(TETX2 PROTEIN)		 5csu 4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC
(Arabidopsis
thaliana) 		5 / 12 ARG A 359
GLY A 292
PRO A 135
ALA A 137
GLY A 138
 None
None
None
GLC  A 605 ( 4.1A)
None
 1.17A 3v3oB-5csuA:
undetectable		 3v3oB-5csuA:
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.
3VAQ_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.51A 3vaqA-1ua4A:
24.3		 3vaqA-1ua4A:
23.27
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.
3VAQ_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
GLY A 448
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
GLC  A 468 ( 4.0A)
GLC  A 468 (-2.9A)
 0.45A 3vaqA-4b8sA:
22.8		 3vaqA-4b8sA:
21.73
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.
3VAQ_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
GLY A 440
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
GLC  A 503 ( 4.1A)
GLC  A 503 (-2.6A)
 0.51A 3vaqA-5o0jA:
23.9		 3vaqA-5o0jA:
12.86
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.
3VAQ_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 0.51A 3vaqA-5od2A:
20.7		 3vaqA-5od2A:
14.41
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.
3VAS_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.49A 3vasA-1ua4A:
24.4		 3vasA-1ua4A:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VAS_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
GLY A 448
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
GLC  A 468 ( 4.0A)
GLC  A 468 (-2.9A)
 0.41A 3vasA-4b8sA:
21.2		 3vasA-4b8sA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VAS_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
GLY A 440
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
GLC  A 503 ( 4.1A)
GLC  A 503 (-2.6A)
 0.49A 3vasA-5o0jA:
23.9		 3vasA-5o0jA:
11.92
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.
3VAS_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 0.50A 3vasA-5od2A:
20.8		 3vasA-5od2A:
14.20
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.
3VAS_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.54A 3vasB-1ua4A:
22.3		 3vasB-1ua4A:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VAS_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
GLY A 448
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
GLC  A 468 ( 4.0A)
GLC  A 468 (-2.9A)
 0.47A 3vasB-4b8sA:
21.7		 3vasB-4b8sA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VAS_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
GLY A 440
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
GLC  A 503 ( 4.1A)
GLC  A 503 (-2.6A)
 0.52A 3vasB-5o0jA:
23.3		 3vasB-5o0jA:
11.92
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.
3VAS_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 0.55A 3vasB-5od2A:
20.4		 3vasB-5od2A:
14.20
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.
3VT7_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		 3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)
(Bacteroides
ovatus) 		4 / 4 LEU A 480
ILE A 380
TYR A 476
TYR A 431
 None
GLC  A1519 ( 3.9A)
XYS  A1524 (-3.9A)
None
 1.35A 3vt7A-3zmrA:
undetectable		 3vt7A-3zmrA:
20.33
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.
3VXI_A_ASCA502_0
(DYP)		 5gr1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB
(Cyanothece
sp.
ATCC
51142) 		4 / 5 ALA A 389
ASN A 405
ARG A 408
HIS A 388
 None
None
GLC  A 802 (-4.1A)
None
 1.42A 3vxiA-5gr1A:
undetectable		 3vxiA-5gr1A:
20.41
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.
3VYW_A_SAMA501_1
(MNMC2)		 3wiq KOJIBIOSE
PHOSPHORYLASE
(Caldicellulosiru
ptor
saccharolyticus) 		4 / 6 HIS A 485
GLU A 421
ASP A 344
ASP A 482
 None
None
GLC  A 801 (-2.4A)
None
 1.34A 3vywA-3wiqA:
undetectable		 3vywA-3wiqA:
18.56
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.
3W9T_B_W9TB513_1
(HEMOLYTIC LECTIN
CEL-III)		 3h1v GLUCOKINASE
(Homo
sapiens) 		4 / 6 CYH X 233
ASN X 254
CYH X 252
ILE X 211
 None
GLC  X 500 ( 4.6A)
None
TK1  X 501 (-4.3A)
 1.34A 3w9tB-3h1vX:
undetectable		 3w9tB-3h1vX:
20.77
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.
3W9T_F_W9TF512_1
(HEMOLYTIC LECTIN
CEL-III)		 5axh DEXTRANASE
(Thermoanaerobact
er
pseudethanolicus) 		4 / 6 THR A 353
ASN A 352
GLY A 312
ILE A 349
 None
GLC  A 704 ( 3.8A)
GLC  A 704 ( 3.9A)
None
 0.94A 3w9tF-5axhA:
undetectable		 3w9tF-5axhA:
21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEM_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		5 / 5 ILE A 233
TRP A 329
TRP A 432
TRP A 467
TRP A 565
 GLC  A1002 (-3.9A)
ACR  A1001 (-4.1A)
ACR  A1001 ( 4.6A)
None
ACR  A1001 (-4.8A)
 0.29A 3wemA-3welA:
62.2		 3wemA-3welA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEN_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		4 / 4 ILE A 233
TRP A 329
TRP A 432
TRP A 565
 GLC  A1002 (-3.9A)
ACR  A1001 (-4.1A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-4.8A)
 0.32A 3wenA-3welA:
65.7		 3wenA-3welA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEO_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		6 / 6 ILE A 233
TRP A 329
ILE A 396
TRP A 432
MET A 470
TRP A 565
 GLC  A1002 (-3.9A)
ACR  A1001 (-4.1A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-3.3A)
ACR  A1001 (-4.8A)
 0.11A 3weoA-3welA:
62.1		 3weoA-3welA:
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.
3ZQ8_D_DVAD8_0
(VAL-GRAMICIDIN A)		 2his CELLULOMONAS FIMI
FAMILY 10
BETA-1,4-GLYCANASE
(Cellulomonas
fimi) 		3 / 3 TRP A 281
VAL A 272
TRP A 273
 GLC  A 602 ( 3.4A)
None
GLC  A 602 ( 4.1A)
 1.16A 3zq8C-2hisA:
undetectable
3zq8D-2hisA:
undetectable		 3zq8C-2hisA:
9.76
3zq8D-2hisA:
9.76
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.
4A6N_A_T1CA392_1
(TETX2 PROTEIN)		 5csu 4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC
(Arabidopsis
thaliana) 		5 / 11 ARG A 359
GLY A 292
PRO A 135
ALA A 137
GLY A 138
 None
None
None
GLC  A 605 ( 4.1A)
None
 1.09A 4a6nA-5csuA:
1.0		 4a6nA-5csuA:
22.03
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.
4A7T_A_5FWA1002_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		 2osy ENDOGLYCOCERAMIDASE
II
(Rhodococcus
sp.) 		3 / 3 ASN A  60
TRP A 382
ASP A 229
 None
GLC  A 600 ( 3.5A)
None
 1.16A 4a7tA-2osyA:
undetectable
4a7tF-2osyA:
undetectable		 4a7tA-2osyA:
14.73
4a7tF-2osyA:
14.73
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.
4B9Z_A_ACRA1818_1
(ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		5 / 12 TYR A 303
ARG A 614
ASP A 630
PHE A 663
HIS A 689
 GLC  A1116 (-3.9A)
GLC  A1116 (-2.8A)
GLC  A1117 (-2.7A)
GLC  A1116 (-4.6A)
GLC  A1117 (-4.1A)
 0.64A 4b9zA-5f7uA:
38.1		 4b9zA-5f7uA:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B9Z_A_ACRA1818_1
(ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B)		 5x3j GLYCOSIDE HYDROLASE
FAMILY 31
(Kribbella
flavida) 		5 / 12 TYR A 191
ARG A 500
ASP A 516
PHE A 549
HIS A 575
 GLC  A 819 ( 4.3A)
GLC  A 819 ( 2.9A)
GLC  A 822 ( 2.8A)
GLC  A 822 ( 4.8A)
GLC  A 822 ( 4.0A)
 0.77A 4b9zA-5x3jA:
29.4		 4b9zA-5x3jA:
7.10
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.
4CTZ_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 VAL A 537
ARG A 555
PHE A 615
GLU A 549
 None
GLC  A1008 (-3.1A)
None
None
 1.30A 4ctzA-4okdA:
undetectable
4ctzB-4okdA:
undetectable		 4ctzA-4okdA:
19.91
4ctzB-4okdA:
19.91
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.
4CTZ_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 PHE A 615
GLU A 549
VAL A 537
ARG A 555
 None
None
None
GLC  A1008 (-3.1A)
 1.41A 4ctzA-4okdA:
undetectable
4ctzB-4okdA:
undetectable		 4ctzA-4okdA:
19.91
4ctzB-4okdA:
19.91
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.
4D1Y_A_RBFA1176_1
(PUTATIVE PROTEASE I)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		4 / 8 GLN A 113
GLN A 235
ASN A 206
THR A 207
 GLC  A1457 ( 2.8A)
BGC  A2457 ( 4.9A)
None
None
 1.33A 4d1yA-1ua4A:
5.0
4d1yB-1ua4A:
4.7		 4d1yA-1ua4A:
19.35
4d1yB-1ua4A:
19.35
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.
4D35_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 PHE A 615
GLU A 549
VAL A 537
ARG A 555
 None
None
None
GLC  A1008 (-3.1A)
 1.45A 4d35A-4okdA:
undetectable
4d35B-4okdA:
0.0		 4d35A-4okdA:
19.91
4d35B-4okdA:
19.91
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.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.49A 4dc3B-1ua4A:
24.4		 4dc3B-1ua4A:
23.27
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.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
GLY A 448
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
GLC  A 468 ( 4.0A)
GLC  A 468 (-2.9A)
 0.43A 4dc3B-4b8sA:
22.9		 4dc3B-4b8sA:
21.73
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.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
GLY A 440
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
GLC  A 503 ( 4.1A)
GLC  A 503 (-2.6A)
 0.47A 4dc3B-5o0jA:
24.0		 4dc3B-5o0jA:
12.86
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.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 0.48A 4dc3B-5od2A:
20.6		 4dc3B-5od2A:
14.41
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.
4DR2_A_PARA1609_1
(16S RRNA
30S RIBOSOMAL
PROTEIN S9
30S RIBOSOMAL
PROTEIN S10)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		3 / 3 TYR A 455
ARG A 450
SER A 454
 GLD  A 807 (-3.7A)
GLC  A 805 (-3.1A)
None
 0.95A 4dr2I-3bc9A:
undetectable
4dr2J-3bc9A:
undetectable		 4dr2I-3bc9A:
12.79
4dr2J-3bc9A:
9.11
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.
4E3A_B_ADNB500_1
(SUGAR KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.38A 4e3aB-1ua4A:
24.6		 4e3aB-1ua4A:
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.
4E3A_B_ADNB500_1
(SUGAR KINASE PROTEIN)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
GLY A 448
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
GLC  A 468 ( 4.0A)
GLC  A 468 (-2.9A)
 0.39A 4e3aB-4b8sA:
23.6		 4e3aB-4b8sA:
23.17
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.
4E3A_B_ADNB500_1
(SUGAR KINASE PROTEIN)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
GLY A 440
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
GLC  A 503 ( 4.1A)
GLC  A 503 (-2.6A)
 0.39A 4e3aB-5o0jA:
24.5		 4e3aB-5o0jA:
11.90
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.
4E3A_B_ADNB500_1
(SUGAR KINASE PROTEIN)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 0.40A 4e3aB-5od2A:
22.7		 4e3aB-5od2A:
13.61
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.
4E47_D_SAMD800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 10 ILE A  71
ALA A  70
GLU A 102
GLY A 293
ASN A 154
 GLC  A1769 ( 3.8A)
GLC  A1769 (-3.5A)
None
None
GLC  A1769 (-2.6A)
 1.40A 4e47D-2cn3A:
0.0		 4e47D-2cn3A:
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.
4ECK_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3h1v GLUCOKINASE
(Homo
sapiens) 		5 / 12 VAL X 181
ALA X 176
LEU X 122
PHE X 171
SER X 151
 None
None
None
None
GLC  X 500 (-4.5A)
 1.26A 4eckA-3h1vX:
undetectable		 4eckA-3h1vX:
23.05
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.
4F8Y_C_VK3C202_1
(NADPH QUINONE
OXIDOREDUCTASE)		 2bvm TOXIN B
(Clostridioides
difficile) 		4 / 7 TYR A 284
LEU A 277
ASN A 384
TYR A 478
 None
None
GLC  A1544 (-3.8A)
None
 1.40A 4f8yC-2bvmA:
undetectable
4f8yD-2bvmA:
undetectable		 4f8yC-2bvmA:
15.94
4f8yD-2bvmA:
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 5x3j GLYCOSIDE HYDROLASE
FAMILY 31
(Kribbella
flavida) 		4 / 7 GLY A 452
GLY A 453
TYR A 480
GLU A 189
 None
None
None
GLC  A 819 ( 2.8A)
 0.92A 4fgkB-5x3jA:
undetectable		 4fgkB-5x3jA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3h1v GLUCOKINASE
(Homo
sapiens) 		4 / 6 GLY X 229
GLY X 227
GLU X 290
ILE X 293
 GLC  X 500 ( 3.8A)
None
GLC  X 500 (-3.1A)
None
 0.86A 4fglD-3h1vX:
undetectable		 4fglD-3h1vX:
19.65
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.
4FVQ_A_ACTA904_0
(TYROSINE-PROTEIN
KINASE JAK2)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		3 / 3 PHE A 612
VAL A 426
GLU A 428
 None
None
GLC  A1117 (-2.8A)
 0.84A 4fvqA-5f7uA:
undetectable		 4fvqA-5f7uA:
14.08
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		 1btc BETA-AMYLASE
(Glycine
max) 		4 / 6 GLY A 298
ALA A 184
GLU A 186
GLN A 351
 BME  A 504 ( 4.3A)
BME  A 502 ( 3.9A)
None
GLC  A 499 ( 3.6A)
 1.09A 4g0uA-1btcA:
undetectable		 4g0uA-1btcA:
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.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		4 / 8 ASP A 409
ASP A  69
GLU A 411
ASP A 215
 None
GLC  A 601 (-2.6A)
None
GLC  A 601 (-2.9A)
 1.14A 4gkhC-3axiA:
3.8
4gkhK-3axiA:
undetectable		 4gkhC-3axiA:
18.84
4gkhK-3axiA:
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.
4GKI_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		4 / 8 ASP A 409
ASP A  69
GLU A 411
ASP A 215
 None
GLC  A 601 (-2.6A)
None
GLC  A 601 (-2.9A)
 1.10A 4gkiE-3axiA:
3.6
4gkiG-3axiA:
undetectable		 4gkiE-3axiA:
18.84
4gkiG-3axiA:
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.
4IIL_A_RBFA401_2
(MEMBRANE LIPOPROTEIN
TPN38(B))		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		4 / 8 PRO A 129
ASN A  26
GLN A 108
ILE A 209
 None
GLC  A 501 (-3.8A)
GLC  A 501 (-3.1A)
None
 1.08A 4iilA-5od2A:
4.1		 4iilA-5od2A:
10.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IPM_A_ACTA503_0
(GH7 FAMILY PROTEIN)		 1q2e EXOCELLOBIOHYDROLASE
I
(Trichoderma
reesei) 		9 / 9 ASN A 141
ALA A 143
TYR A 145
TYR A 171
ASP A 173
GLU A 212
ASP A 214
GLU A 217
TRP A 367
 None
None
None
None
None
None
GLC  A 904 (-3.9A)
GLC  A 904 (-2.9A)
None
 0.53A 4ipmA-1q2eA:
61.3		 4ipmA-1q2eA:
53.62
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.
4IPM_A_ACTA503_0
(GH7 FAMILY PROTEIN)		 5dze ENDO-GLUCANASE
(Vitis
vinifera) 		5 / 9 ASN A  73
TYR A  77
ASP A  91
GLU A  93
TRP A 171
 GLC  A 301 (-3.3A)
GLC  A 301 (-2.9A)
GLC  A 301 ( 2.8A)
BGC  A 305 ( 2.5A)
BGC  A 302 (-2.5A)
 0.70A 4ipmA-5dzeA:
12.4		 4ipmA-5dzeA:
18.79
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.
4J83_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 11 ILE A  71
ALA A  70
GLU A 102
GLY A 293
ASN A 154
 GLC  A1769 ( 3.8A)
GLC  A1769 (-3.5A)
None
None
GLC  A1769 (-2.6A)
 1.38A 4j83A-2cn3A:
undetectable		 4j83A-2cn3A:
17.23
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.
4JDS_D_SAMD401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 11 ILE A  71
ALA A  70
GLU A 102
GLY A 293
ASN A 154
 GLC  A1769 ( 3.8A)
GLC  A1769 (-3.5A)
None
None
GLC  A1769 (-2.6A)
 1.37A 4jdsD-2cn3A:
0.0		 4jdsD-2cn3A:
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.
4JKS_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4jksA-1ua4A:
24.6		 4jksA-1ua4A:
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.
4JKS_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
ILE A 186
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 (-2.9A)
 0.44A 4jksA-4b8sA:
23.6		 4jksA-4b8sA:
23.17
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.
4JKS_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ILE A 181
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.46A 4jksA-5o0jA:
24.5		 4jksA-5o0jA:
11.90
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.
4JKS_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ILE A 174
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.48A 4jksA-5od2A:
22.8		 4jksA-5od2A:
13.61
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.
4JKS_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4jksB-1ua4A:
24.5		 4jksB-1ua4A:
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.
4JKS_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
ILE A 186
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 (-2.9A)
 0.43A 4jksB-4b8sA:
23.6		 4jksB-4b8sA:
23.17
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.
4JKS_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ILE A 181
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.46A 4jksB-5o0jA:
24.4		 4jksB-5o0jA:
11.90
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.
4JKS_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ILE A 174
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.48A 4jksB-5od2A:
22.8		 4jksB-5od2A:
13.61
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.
4JKU_A_ADNA500_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4jkuA-1ua4A:
24.6		 4jkuA-1ua4A:
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.
4JKU_A_ADNA500_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
ILE A 186
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 (-2.9A)
 0.44A 4jkuA-4b8sA:
23.5		 4jkuA-4b8sA:
23.17
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.
4JKU_A_ADNA500_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ILE A 181
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.46A 4jkuA-5o0jA:
24.5		 4jkuA-5o0jA:
11.90
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.
4JKU_A_ADNA500_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ILE A 174
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.49A 4jkuA-5od2A:
22.7		 4jkuA-5od2A:
13.61
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.
4JLG_B_SAMB401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 11 ILE A  71
ALA A  70
GLU A 102
GLY A 293
ASN A 154
 GLC  A1769 ( 3.8A)
GLC  A1769 (-3.5A)
None
None
GLC  A1769 (-2.6A)
 1.30A 4jlgB-2cn3A:
0.0		 4jlgB-2cn3A:
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.
4K8C_A_ADNA401_1
(SUGAR KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4k8cA-1ua4A:
24.6		 4k8cA-1ua4A:
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.
4K8C_A_ADNA401_1
(SUGAR KINASE)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
ILE A 186
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 (-2.9A)
 0.42A 4k8cA-4b8sA:
23.6		 4k8cA-4b8sA:
23.17
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.
4K8C_A_ADNA401_1
(SUGAR KINASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ILE A 181
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.45A 4k8cA-5o0jA:
24.4		 4k8cA-5o0jA:
11.90
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.
4K8C_A_ADNA401_1
(SUGAR KINASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ILE A 174
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.47A 4k8cA-5od2A:
22.8		 4k8cA-5od2A:
13.61
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.
4K8C_B_ADNB401_1
(SUGAR KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.38A 4k8cB-1ua4A:
24.6		 4k8cB-1ua4A:
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.
4K8C_B_ADNB401_1
(SUGAR KINASE)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
ILE A 186
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 (-2.9A)
 0.42A 4k8cB-4b8sA:
23.6		 4k8cB-4b8sA:
23.17
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.
4K8C_B_ADNB401_1
(SUGAR KINASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ILE A 181
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.45A 4k8cB-5o0jA:
24.5		 4k8cB-5o0jA:
11.90
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.
4K8C_B_ADNB401_1
(SUGAR KINASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ILE A 174
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.47A 4k8cB-5od2A:
22.7		 4k8cB-5od2A:
13.61
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.
4K8K_A_ADNA401_1
(SUGAR KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.40A 4k8kA-1ua4A:
24.6		 4k8kA-1ua4A:
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.
4K8K_A_ADNA401_1
(SUGAR KINASE)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
ILE A 186
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 (-2.9A)
 0.45A 4k8kA-4b8sA:
23.6		 4k8kA-4b8sA:
23.17
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.
4K8K_A_ADNA401_1
(SUGAR KINASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ILE A 181
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.47A 4k8kA-5o0jA:
24.5		 4k8kA-5o0jA:
11.90
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.
4K8K_A_ADNA401_1
(SUGAR KINASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ILE A 174
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.49A 4k8kA-5od2A:
23.0		 4k8kA-5od2A:
13.61
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.
4K8K_B_ADNB403_1
(SUGAR KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.40A 4k8kB-1ua4A:
24.6		 4k8kB-1ua4A:
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.
4K8K_B_ADNB403_1
(SUGAR KINASE)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
ILE A 186
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 (-2.9A)
 0.45A 4k8kB-4b8sA:
23.6		 4k8kB-4b8sA:
23.17
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.
4K8K_B_ADNB403_1
(SUGAR KINASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ILE A 181
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.47A 4k8kB-5o0jA:
24.5		 4k8kB-5o0jA:
11.90
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.
4K8K_B_ADNB403_1
(SUGAR KINASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ILE A 174
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.49A 4k8kB-5od2A:
22.8		 4k8kB-5od2A:
13.61
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.
4KAH_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4kahA-1ua4A:
24.6		 4kahA-1ua4A:
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.
4KAH_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
ILE A 186
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 (-2.9A)
 0.42A 4kahA-4b8sA:
23.6		 4kahA-4b8sA:
23.17
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.
4KAH_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ILE A 181
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.45A 4kahA-5o0jA:
24.6		 4kahA-5o0jA:
11.90
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.
4KAH_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ILE A 174
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.47A 4kahA-5od2A:
22.9		 4kahA-5od2A:
13.61
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.
4KAH_B_ADNB502_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.38A 4kahB-1ua4A:
24.6		 4kahB-1ua4A:
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.
4KAH_B_ADNB502_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
ILE A 186
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 (-2.9A)
 0.41A 4kahB-4b8sA:
23.6		 4kahB-4b8sA:
23.17
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.
4KAH_B_ADNB502_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ILE A 181
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.45A 4kahB-5o0jA:
24.5		 4kahB-5o0jA:
11.90
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.
4KAH_B_ADNB502_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ILE A 174
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.47A 4kahB-5od2A:
22.7		 4kahB-5od2A:
13.61
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.
4KAL_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4kalA-1ua4A:
24.6		 4kalA-1ua4A:
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.
4KAL_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
ILE A 186
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 (-2.9A)
 0.44A 4kalA-4b8sA:
23.5		 4kalA-4b8sA:
23.17
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.
4KAL_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ILE A 181
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.47A 4kalA-5o0jA:
24.5		 4kalA-5o0jA:
11.90
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.
4KAL_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ILE A 174
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.48A 4kalA-5od2A:
22.7		 4kalA-5od2A:
13.61
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.
4KAL_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.40A 4kalB-1ua4A:
24.6		 4kalB-1ua4A:
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.
4KAL_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
ILE A 186
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 (-2.9A)
 0.44A 4kalB-4b8sA:
23.5		 4kalB-4b8sA:
23.17
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.
4KAL_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ILE A 181
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.47A 4kalB-5o0jA:
24.5		 4kalB-5o0jA:
11.90
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.
4KAL_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ILE A 174
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.48A 4kalB-5od2A:
22.7		 4kalB-5od2A:
13.61
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.
4KAN_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.38A 4kanA-1ua4A:
24.6		 4kanA-1ua4A:
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.
4KAN_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
ILE A 186
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 (-2.9A)
 0.43A 4kanA-4b8sA:
23.7		 4kanA-4b8sA:
23.17
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.
4KAN_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ILE A 181
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.45A 4kanA-5o0jA:
24.6		 4kanA-5o0jA:
11.90
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.
4KAN_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ILE A 174
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.47A 4kanA-5od2A:
22.9		 4kanA-5od2A:
13.61
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.
4KAN_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.38A 4kanB-1ua4A:
24.5		 4kanB-1ua4A:
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.
4KAN_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
ILE A 186
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 (-2.9A)
 0.42A 4kanB-4b8sA:
23.6		 4kanB-4b8sA:
23.17
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.
4KAN_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ILE A 181
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.44A 4kanB-5o0jA:
24.4		 4kanB-5o0jA:
11.90
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.
4KAN_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ILE A 174
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.47A 4kanB-5od2A:
22.8		 4kanB-5od2A:
13.61
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.
4KBE_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.38A 4kbeA-1ua4A:
24.5		 4kbeA-1ua4A:
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.
4KBE_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
ILE A 186
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 (-2.9A)
 0.42A 4kbeA-4b8sA:
23.7		 4kbeA-4b8sA:
23.17
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.
4KBE_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ILE A 181
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.45A 4kbeA-5o0jA:
24.6		 4kbeA-5o0jA:
11.90
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.
4KBE_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ILE A 174
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.47A 4kbeA-5od2A:
22.9		 4kbeA-5od2A:
13.61
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.
4KBE_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.37A 4kbeB-1ua4A:
24.6		 4kbeB-1ua4A:
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.
4KBE_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
ILE A 186
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 (-2.9A)
 0.40A 4kbeB-4b8sA:
23.6		 4kbeB-4b8sA:
23.17
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.
4KBE_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ILE A 181
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.44A 4kbeB-5o0jA:
24.5		 4kbeB-5o0jA:
11.90
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.
4KBE_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ILE A 174
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.45A 4kbeB-5od2A:
22.8		 4kbeB-5od2A:
13.61
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.
4KCN_B_MTLB806_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5gr1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB
(Cyanothece
sp.
ATCC
51142) 		4 / 7 SER A 709
GLN A 625
PHE A 629
ASN A 708
 None
GOL  A 824 (-4.4A)
None
GLC  A 815 ( 4.1A)
 1.32A 4kcnB-5gr1A:
undetectable		 4kcnB-5gr1A:
19.22
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.
4KIC_A_SAMA401_0
(METHYLTRANSFERASE
MPPJ)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		5 / 12 GLY A 111
GLY A 116
ILE A  70
ALA A 120
ASP A 107
 None
GLC  A 997 (-4.8A)
None
None
None
 1.20A 4kicA-1e4oA:
undetectable		 4kicA-1e4oA:
19.37
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		4 / 8 ARG A  70
TYR A  57
ARG A  59
GLU A  82
 None
None
None
GLC  A 501 (-2.9A)
 1.34A 4kr4C-5od2A:
undetectable		 4kr4C-5od2A:
13.13
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.
4LB2_A_DM5A602_1
(SERUM ALBUMIN)		 4qsz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
JMJC
DOMAIN-CONTAINING
PROTEIN 7 CHIMERA
(Escherichia
coli;
Mus
musculus) 		4 / 7 PRO A -40
ALA A-203
LYS A-115
TYR A-216
 None
None
None
GLC  A 901 ( 3.8A)
 0.91A 4lb2A-4qszA:
undetectable		 4lb2A-4qszA:
22.96
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.
4LBG_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4lbgA-1ua4A:
24.6		 4lbgA-1ua4A:
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.
4LBG_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
ILE A 186
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 (-2.9A)
 0.44A 4lbgA-4b8sA:
23.5		 4lbgA-4b8sA:
23.17
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.
4LBG_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ILE A 181
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.46A 4lbgA-5o0jA:
24.5		 4lbgA-5o0jA:
11.90
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.
4LBG_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ILE A 174
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.48A 4lbgA-5od2A:
22.8		 4lbgA-5od2A:
13.61
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.
4LBG_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.38A 4lbgB-1ua4A:
24.6		 4lbgB-1ua4A:
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.
4LBG_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
ILE A 186
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 (-2.9A)
 0.43A 4lbgB-4b8sA:
23.6		 4lbgB-4b8sA:
23.17
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.
4LBG_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ILE A 181
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.46A 4lbgB-5o0jA:
24.5		 4lbgB-5o0jA:
11.90
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.
4LBG_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ILE A 174
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.48A 4lbgB-5od2A:
22.8		 4lbgB-5od2A:
13.61
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.
4LCA_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.37A 4lcaA-1ua4A:
24.6		 4lcaA-1ua4A:
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.
4LCA_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
ILE A 186
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 (-2.9A)
 0.41A 4lcaA-4b8sA:
23.4		 4lcaA-4b8sA:
23.17
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.
4LCA_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ILE A 181
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.44A 4lcaA-5o0jA:
24.5		 4lcaA-5o0jA:
11.90
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.
4LCA_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ILE A 174
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.46A 4lcaA-5od2A:
22.7		 4lcaA-5od2A:
13.61
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.
4LCA_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.37A 4lcaB-1ua4A:
24.5		 4lcaB-1ua4A:
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.
4LCA_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
ILE A 186
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 (-2.9A)
 0.41A 4lcaB-4b8sA:
23.5		 4lcaB-4b8sA:
23.17
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.
4LCA_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ILE A 181
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.44A 4lcaB-5o0jA:
24.5		 4lcaB-5o0jA:
11.90
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.
4LCA_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ILE A 174
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.46A 4lcaB-5od2A:
22.7		 4lcaB-5od2A:
13.61
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.
4MI4_A_SPMA201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE
(Sulfolobus
solfataricus) 		4 / 6 ASN A 375
GLU A 283
GLU A 106
GLU A 137
 None
GLC  A 604 (-2.6A)
None
None
 1.32A 4mi4A-3vgfA:
undetectable		 4mi4A-3vgfA:
16.58
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.
4MI4_B_SPMB201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		4 / 7 GLU A 568
TYR A 313
GLU A 302
ARG A 614
 None
None
None
GLC  A1116 (-2.8A)
 1.02A 4mi4B-5f7uA:
0.3
4mi4C-5f7uA:
0.4		 4mi4B-5f7uA:
10.77
4mi4C-5f7uA:
10.77
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.
4MI4_C_SPMC201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 3rjy ENDOGLUCANASE
FNCEL5A
(Fervidobacterium
nodosum) 		4 / 7 TYR A 228
GLU A 317
GLU A 283
GLU A  54
 GLC  A 402 ( 3.4A)
PO4  A 404 ( 4.9A)
GLC  A 403 (-2.5A)
None
 1.00A 4mi4A-3rjyA:
0.9
4mi4C-3rjyA:
undetectable		 4mi4A-3rjyA:
19.75
4mi4C-3rjyA:
19.75
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.
4MJ8_B_SPMB201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		4 / 8 GLU A 568
TYR A 313
GLU A 302
ARG A 614
 None
None
None
GLC  A1116 (-2.8A)
 1.01A 4mj8B-5f7uA:
undetectable
4mj8C-5f7uA:
0.4		 4mj8B-5f7uA:
10.58
4mj8C-5f7uA:
10.58
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.
4MJ8_C_SPMC201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 5f7r LMO0178 PROTEIN
(Listeria
monocytogenes) 		4 / 7 MET E 264
GLU E 263
GLU E 268
GLU E  92
 None
GLC  E 501 (-2.7A)
None
GLC  E 502 (-3.3A)
 1.34A 4mj8C-5f7rE:
undetectable		 4mj8C-5f7rE:
16.46
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.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 115
ALA A 204
GLY A 440
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.7A)
None
GLC  A 503 ( 4.1A)
GLC  A 503 (-2.6A)
 0.96A 4n09A-5o0jA:
24.1		 4n09A-5o0jA:
13.51
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.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
LEU A  93
GLY A 115
ALA A 204
GLY A 440
 GLC  A 503 (-2.7A)
None
GLC  A 503 (-3.7A)
None
GLC  A 503 ( 4.1A)
 1.15A 4n09A-5o0jA:
24.1		 4n09A-5o0jA:
13.51
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.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 107
ALA A 201
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.7A)
None
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 0.81A 4n09A-5od2A:
22.4		 4n09A-5od2A:
14.46
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.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ALA A 204
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.79A 4n09B-5o0jA:
22.7		 4n09B-5o0jA:
13.51
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.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
LEU A  93
GLY A 114
GLY A 115
ALA A 204
 GLC  A 503 (-2.7A)
None
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
 0.59A 4n09B-5o0jA:
22.7		 4n09B-5o0jA:
13.51
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.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ALA A 201
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.61A 4n09B-5od2A:
22.4		 4n09B-5od2A:
14.46
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.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 107
ALA A 201
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.7A)
None
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 0.89A 4n09B-5od2A:
22.4		 4n09B-5od2A:
14.46
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.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
LEU A  93
GLY A 114
GLY A 115
ALA A 204
 GLC  A 503 (-2.7A)
None
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
 0.60A 4n09C-5o0jA:
24.2		 4n09C-5o0jA:
13.51
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.
4N09_D_ADND401_1
(ADENOSINE KINASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
ALA A 204
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.79A 4n09D-5o0jA:
23.9		 4n09D-5o0jA:
13.51
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.
4N09_D_ADND401_1
(ADENOSINE KINASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
LEU A  93
GLY A 114
GLY A 115
ALA A 204
 GLC  A 503 (-2.7A)
None
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
 0.59A 4n09D-5o0jA:
23.9		 4n09D-5o0jA:
13.51
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.
4N09_D_ADND401_1
(ADENOSINE KINASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
ALA A 201
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.61A 4n09D-5od2A:
22.2		 4n09D-5od2A:
14.46
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.
4N09_D_ADND401_1
(ADENOSINE KINASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 107
ALA A 201
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.7A)
None
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 0.90A 4n09D-5od2A:
22.2		 4n09D-5od2A:
14.46
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.
4N48_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN
(Escherichia
coli;
Staphylococcus
aureus) 		4 / 5 ASN A 267
ALA A  51
GLY A  56
ASP A  14
 None
None
None
GLC  A 672 (-3.0A)
 0.98A 4n48A-1hsjA:
undetectable		 4n48A-1hsjA:
20.44
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.
4N48_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 1y4c MALTOSE BINDING
PROTEIN FUSED WITH
DESIGNED HELICAL
PROTEIN
(Escherichia
coli) 		4 / 5 ASN A 267
ALA A  51
GLY A  56
ASP A  14
 None
None
None
GLC  A 371 (-3.2A)
 0.95A 4n48A-1y4cA:
undetectable		 4n48A-1y4cA:
20.63
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.
4N48_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 3dm0 MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH RACK1
(Escherichia
coli;
Arabidopsis
thaliana) 		4 / 5 ASN A 267
ALA A  51
GLY A  56
ASP A  14
 None
None
None
GLC  A 672 (-3.1A)
 0.98A 4n48A-3dm0A:
undetectable		 4n48A-3dm0A:
21.57
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.
4N48_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 3f5f MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HEPARAN SULFATE
2-O-SULFOTRANSFERASE
1
(Escherichia
coli;
Gallus
gallus) 		4 / 5 ASN A 267
ALA A  51
GLY A  56
ASP A  14
 None
None
None
GLC  A 672 (-3.2A)
 1.01A 4n48A-3f5fA:
undetectable		 4n48A-3f5fA:
20.65
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.
4N48_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 3h4z MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH ALLERGEN
DERP7
(Escherichia
coli;
Dermatophagoides
pteronyssinus) 		4 / 5 ASN A 267
ALA A  51
GLY A  56
ASP A  14
 None
None
None
GLC  A 672 (-3.1A)
 0.97A 4n48A-3h4zA:
undetectable		 4n48A-3h4zA:
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.
4N48_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 4qsz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
JMJC
DOMAIN-CONTAINING
PROTEIN 7 CHIMERA
(Escherichia
coli;
Mus
musculus) 		4 / 5 ASN A-104
ALA A-320
GLY A-315
ASP A-357
 None
None
None
GLC  A 901 (-2.9A)
 1.01A 4n48A-4qszA:
undetectable		 4n48A-4qszA:
21.77
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.
4N48_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 5t03 MALTOSE BINDING
PROTEIN - HEPARAN
SULFATE
6-O-SULFOTRANSFERASE
ISOFORM 3 FUSION
PROTEIN
(Escherichia
coli;
Danio
rerio) 		4 / 5 ASN A 267
ALA A  51
GLY A  56
ASP A  14
 None
None
None
GLC  A1412 ( 3.0A)
 0.98A 4n48A-5t03A:
undetectable		 4n48A-5t03A:
21.67
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.
4O1E_B_C2FB4000_1
(DIHYDROPTEROATE
SYNTHASE DHPS)		 4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1
(Ochrobactrum
anthropi) 		4 / 4 LYS A 360
ASN A 337
ASP A 305
ASP A 364
 None
None
GLC  A 501 (-2.7A)
None
 1.43A 4o1eB-4r2bA:
undetectable		 4o1eB-4r2bA:
22.17
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.
4O7G_A_ASCA303_0
(PROBABLE
TRANSMEMBRANE
ASCORBATE
FERRIREDUCTASE 2)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		4 / 7 PHE A 304
HIS A  13
ASN A 273
ARG A 174
 None
None
GLC  A 503 (-2.8A)
ACI  A 504 (-3.5A)
 1.32A 4o7gA-1ua7A:
undetectable
4o7gB-1ua7A:
undetectable		 4o7gA-1ua7A:
19.80
4o7gB-1ua7A:
19.80
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.
4OBW_C_SAMC601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 3h1v GLUCOKINASE
(Homo
sapiens) 		5 / 12 GLY X 407
ASP X 217
ILE X 225
GLY X 410
ARG X 447
 None
None
GLC  X 500 ( 4.1A)
None
None
 1.28A 4obwC-3h1vX:
undetectable		 4obwC-3h1vX:
19.30
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.
4ODO_B_FK5B203_2
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		3 / 3 ALA A 357
GLN A 287
GLY A 261
 None
GLC  A1700 (-3.4A)
None
 0.40A 4odoC-1kclA:
undetectable		 4odoC-1kclA:
12.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ODO_B_FK5B203_2
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		3 / 3 ALA A 357
GLN A 288
GLY A 262
 None
None
GLC  A 691 (-3.6A)
 0.41A 4odoC-3bmwA:
1.6		 4odoC-3bmwA:
12.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLT_A_GCSA306_1
(CHITOSANASE)		 1q2e EXOCELLOBIOHYDROLASE
I
(Trichoderma
reesei) 		3 / 3 SER A 342
ASP A 259
GLN A 175
 None
SGC  A 902 ( 4.7A)
GLC  A 904 (-3.5A)
 0.70A 4oltA-1q2eA:
undetectable
4oltB-1q2eA:
undetectable		 4oltA-1q2eA:
19.62
4oltB-1q2eA:
19.62
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.
4P6S_A_DAHA304_1
(TYROSINASE)		 5n6v AMYLOSUCRASE
(Neisseria
polysaccharea) 		4 / 5 ASN A 367
LEU A 368
GLU A 365
THR A 363
 None
None
None
GLC  A 704 ( 4.7A)
 1.43A 4p6sA-5n6vA:
undetectable		 4p6sA-5n6vA:
18.82
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.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		4 / 6 LEU A 123
PHE A 122
HIS A 345
TYR A 787
 None
None
GLC  A 998 (-4.3A)
None
 1.10A 4pahA-1e4oA:
undetectable		 4pahA-1e4oA:
16.31
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.
4PCL_A_SAMA301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		5 / 12 GLN A1942
LEU A1941
GLY A1907
ASP A1925
ALA A1906
 GLC  A3005 (-3.4A)
None
None
None
None
 1.17A 4pclA-4tvcA:
undetectable		 4pclA-4tvcA:
11.45
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.
4PCL_A_SAMA301_1
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		 1ogo DEXTRANASE
(Talaromyces
minioluteus) 		4 / 5 SER X 460
GLU X 449
LYS X 447
ASP X 418
 None
BGC  X1575 (-3.1A)
BGC  X1575 (-2.9A)
GLC  X1576 (-4.1A)
 1.26A 4pclA-1ogoX:
undetectable		 4pclA-1ogoX:
17.06
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.
4PCU_A_SAMA603_0
(CYSTATHIONINE
BETA-SYNTHASE)		 4fe9 OUTER MEMBRANE
PROTEIN SUSF
(Bacteroides
thetaiotaomicron) 		4 / 7 PHE A 174
ASP A 173
THR A 250
ILE A 248
 None
GLC  A 502 ( 2.6A)
None
None
 1.02A 4pcuA-4fe9A:
undetectable		 4pcuA-4fe9A:
22.54
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.
4PEV_C_ADNC501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 1ven BETA-AMYLASE
(Bacillus
cereus) 		3 / 3 PRO A 307
VAL A 291
HIS A 292
 None
None
GLC  A 903 (-4.2A)
 0.83A 4pevC-1venA:
undetectable		 4pevC-1venA:
21.58
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.
4QDJ_A_SAMA301_1
(MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE)		 4pyh PHOSPHOGLUCAN
PHOSPHATASE DSP4,
CHLOROPLASTIC
(Arabidopsis
thaliana) 		4 / 5 TYR A  90
HIS A  92
ASP A 166
ASP A 171
 None
None
GLC  A 402 ( 2.7A)
GOL  A 409 (-2.6A)
 1.45A 4qdjA-4pyhA:
undetectable		 4qdjA-4pyhA:
24.68
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		 4bpz ENDO-1,3-BETA-GLUCAN
ASE, FAMILY GH16
(Zobellia
galactanivorans) 		4 / 8 THR A 343
PRO A 344
LEU A 337
SER A 269
 None
None
None
GLC  A 401 ( 3.5A)
 1.02A 4qknA-4bpzA:
undetectable		 4qknA-4bpzA:
19.46
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.
4QTU_B_SAMB301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 1q2e EXOCELLOBIOHYDROLASE
I
(Trichoderma
reesei) 		4 / 5 TYR A 171
SER A 365
ASP A 214
ASP A 262
 None
None
GLC  A 904 (-3.9A)
GLC  A 903 ( 4.0A)
 1.02A 4qtuB-1q2eA:
undetectable		 4qtuB-1q2eA:
18.54
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.
4QVN_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3wiq KOJIBIOSE
PHOSPHORYLASE
(Caldicellulosiru
ptor
saccharolyticus) 		5 / 11 THR A 658
SER A 632
GLN A 597
GLY A 681
ALA A 677
 None
SO4  A 803 (-3.0A)
GLC  A 801 (-3.2A)
None
None
 1.25A 4qvnH-3wiqA:
undetectable
4qvnI-3wiqA:
undetectable		 4qvnH-3wiqA:
16.69
4qvnI-3wiqA:
14.15
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.
4QVN_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3wiq KOJIBIOSE
PHOSPHORYLASE
(Caldicellulosiru
ptor
saccharolyticus) 		5 / 10 THR A 658
SER A 632
GLN A 597
GLY A 681
ALA A 677
 None
SO4  A 803 (-3.0A)
GLC  A 801 (-3.2A)
None
None
 1.25A 4qvnV-3wiqA:
undetectable
4qvnW-3wiqA:
0.7		 4qvnV-3wiqA:
16.69
4qvnW-3wiqA:
14.15
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.
4QVQ_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3wiq KOJIBIOSE
PHOSPHORYLASE
(Caldicellulosiru
ptor
saccharolyticus) 		5 / 11 THR A 658
SER A 632
GLN A 597
GLY A 681
ALA A 677
 None
SO4  A 803 (-3.0A)
GLC  A 801 (-3.2A)
None
None
 1.24A 4qvqH-3wiqA:
undetectable
4qvqI-3wiqA:
undetectable		 4qvqH-3wiqA:
16.69
4qvqI-3wiqA:
14.15
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.
4QVQ_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3wiq KOJIBIOSE
PHOSPHORYLASE
(Caldicellulosiru
ptor
saccharolyticus) 		5 / 11 THR A 658
SER A 632
GLN A 597
GLY A 681
ALA A 677
 None
SO4  A 803 (-3.0A)
GLC  A 801 (-3.2A)
None
None
 1.24A 4qvqV-3wiqA:
undetectable
4qvqW-3wiqA:
0.7		 4qvqV-3wiqA:
16.69
4qvqW-3wiqA:
14.15
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.
4QVV_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 1bdg HEXOKINASE
(Schistosoma
mansoni) 		4 / 8 THR A 210
GLY A 233
GLY A 231
VAL A 230
 GLC  A 501 ( 4.3A)
GLC  A 501 (-3.7A)
SO4  A 502 ( 3.9A)
None
 0.75A 4qvvK-1bdgA:
undetectable
4qvvL-1bdgA:
undetectable		 4qvvK-1bdgA:
19.95
4qvvL-1bdgA:
17.84
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.
4QVV_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 1bdg HEXOKINASE
(Schistosoma
mansoni) 		4 / 8 THR A 210
GLY A 233
GLY A 231
VAL A 230
 GLC  A 501 ( 4.3A)
GLC  A 501 (-3.7A)
SO4  A 502 ( 3.9A)
None
 0.75A 4qvvY-1bdgA:
undetectable
4qvvZ-1bdgA:
undetectable		 4qvvY-1bdgA:
19.95
4qvvZ-1bdgA:
17.84
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.
4QW0_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3wiq KOJIBIOSE
PHOSPHORYLASE
(Caldicellulosiru
ptor
saccharolyticus) 		5 / 11 THR A 658
SER A 632
GLN A 597
GLY A 681
ALA A 677
 None
SO4  A 803 (-3.0A)
GLC  A 801 (-3.2A)
None
None
 1.27A 4qw0H-3wiqA:
undetectable
4qw0I-3wiqA:
undetectable		 4qw0H-3wiqA:
16.69
4qw0I-3wiqA:
14.15
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.
4QW0_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3wiq KOJIBIOSE
PHOSPHORYLASE
(Caldicellulosiru
ptor
saccharolyticus) 		5 / 11 THR A 658
SER A 632
GLN A 597
GLY A 681
ALA A 677
 None
SO4  A 803 (-3.0A)
GLC  A 801 (-3.2A)
None
None
 1.27A 4qw0V-3wiqA:
undetectable
4qw0W-3wiqA:
undetectable		 4qw0V-3wiqA:
16.69
4qw0W-3wiqA:
14.15
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.
4QW1_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3wiq KOJIBIOSE
PHOSPHORYLASE
(Caldicellulosiru
ptor
saccharolyticus) 		5 / 12 THR A 658
SER A 632
GLN A 597
GLY A 681
ALA A 677
 None
SO4  A 803 (-3.0A)
GLC  A 801 (-3.2A)
None
None
 1.27A 4qw1H-3wiqA:
undetectable
4qw1I-3wiqA:
undetectable		 4qw1H-3wiqA:
16.69
4qw1I-3wiqA:
14.15
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.
4QW1_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3wiq KOJIBIOSE
PHOSPHORYLASE
(Caldicellulosiru
ptor
saccharolyticus) 		5 / 12 THR A 658
SER A 632
GLN A 597
GLY A 681
ALA A 677
 None
SO4  A 803 (-3.0A)
GLC  A 801 (-3.2A)
None
None
 1.27A 4qw1V-3wiqA:
undetectable
4qw1W-3wiqA:
undetectable		 4qw1V-3wiqA:
16.69
4qw1W-3wiqA:
14.15
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.
4QWP_B_GCSB304_1
(CHITOSANASE)		 1q2e EXOCELLOBIOHYDROLASE
I
(Trichoderma
reesei) 		3 / 3 GLN A 175
SER A 342
ASP A 259
 GLC  A 904 (-3.5A)
None
SGC  A 902 ( 4.7A)
 0.67A 4qwpA-1q2eA:
undetectable
4qwpB-1q2eA:
undetectable		 4qwpA-1q2eA:
20.84
4qwpB-1q2eA:
20.84
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.
4QWU_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3wiq KOJIBIOSE
PHOSPHORYLASE
(Caldicellulosiru
ptor
saccharolyticus) 		5 / 11 THR A 658
SER A 632
GLN A 597
GLY A 681
ALA A 677
 None
SO4  A 803 (-3.0A)
GLC  A 801 (-3.2A)
None
None
 1.25A 4qwuH-3wiqA:
undetectable
4qwuI-3wiqA:
0.0		 4qwuH-3wiqA:
16.69
4qwuI-3wiqA:
14.15
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.
4QWU_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3wiq KOJIBIOSE
PHOSPHORYLASE
(Caldicellulosiru
ptor
saccharolyticus) 		5 / 11 THR A 658
SER A 632
GLN A 597
GLY A 681
ALA A 677
 None
SO4  A 803 (-3.0A)
GLC  A 801 (-3.2A)
None
None
 1.25A 4qwuV-3wiqA:
undetectable
4qwuW-3wiqA:
0.7		 4qwuV-3wiqA:
16.69
4qwuW-3wiqA:
14.15
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.
4QZT_A_ACTA202_0
(RETINOL-BINDING
PROTEIN 2)		 3wiq KOJIBIOSE
PHOSPHORYLASE
(Caldicellulosiru
ptor
saccharolyticus) 		4 / 6 TYR A 337
GLU A 421
THR A 417
TRP A 343
 GLC  A 801 ( 4.0A)
None
BGC  A 802 (-3.0A)
GLC  A 801 (-4.4A)
 1.44A 4qztA-3wiqA:
undetectable		 4qztA-3wiqA:
11.87
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.
4QZU_C_ACTC202_0
(RETINOL-BINDING
PROTEIN 2)		 3wiq KOJIBIOSE
PHOSPHORYLASE
(Caldicellulosiru
ptor
saccharolyticus) 		4 / 6 TYR A 337
GLU A 421
THR A 417
TRP A 343
 GLC  A 801 ( 4.0A)
None
BGC  A 802 (-3.0A)
GLC  A 801 (-4.4A)
 1.46A 4qzuC-3wiqA:
undetectable		 4qzuC-3wiqA:
11.87
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.
4R1Z_B_AERB601_1
(CYP17A1 PROTEIN)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 ALA A 390
GLY A  50
ALA A 431
THR A 429
 None
GLC  A1769 (-3.6A)
None
None
 0.81A 4r1zB-2cn3A:
undetectable		 4r1zB-2cn3A:
20.08
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.
4R29_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN)		 1n3p LECTIN PAL
(Pterocarpus
angolensis) 		5 / 12 ARG A  49
ALA A 218
GLY A 220
ALA A 112
GLY A 102
 None
None
GLC  A 253 (-3.1A)
None
None
 1.28A 4r29C-1n3pA:
undetectable		 4r29C-1n3pA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R38_A_RBFA201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 5awp ISOMALTODEXTRANASE
(Arthrobacter
globiformis) 		5 / 12 ALA A 572
ALA A 596
ILE A 597
LEU A 563
GLY A 570
 None
GLC  A 704 (-3.5A)
None
None
None
 1.20A 4r38A-5awpA:
undetectable		 4r38A-5awpA:
12.97
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.
4R38_D_RBFD201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 5awp ISOMALTODEXTRANASE
(Arthrobacter
globiformis) 		5 / 12 ALA A 572
ALA A 596
ILE A 597
LEU A 563
GLY A 570
 None
GLC  A 704 (-3.5A)
None
None
None
 1.21A 4r38D-5awpA:
undetectable		 4r38D-5awpA:
12.97
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.
4R38_D_RBFD201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		4 / 8 ASN A  30
LEU A 237
LEU A 265
ILE A 279
 GLC  A1457 (-4.2A)
None
None
None
 0.81A 4r38D-1ua4A:
undetectable		 4r38D-1ua4A:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R3A_B_RBFB402_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2nzt HEXOKINASE-2
(Homo
sapiens) 		5 / 10 THR A 172
ILE A 229
ASN A 208
LEU A 168
LEU A  85
 GLC  A1001 (-2.7A)
GLC  A1001 (-4.2A)
GLC  A1001 ( 3.0A)
None
None
 1.49A 4r3aB-2nztA:
undetectable		 4r3aB-2nztA:
18.03
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		5 / 12 ASP A 307
LEU A 138
PHE A  68
GLY A 116
GLU A 637
 GLC  A 997 (-3.6A)
None
None
GLC  A 997 (-4.8A)
GLC  A 998 (-3.6A)
 1.29A 4retA-1e4oA:
2.1		 4retA-1e4oA:
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.
4RP8_C_ASCC501_1
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		 4zze SUGAR BINDING
PROTEIN OF ABC
TRANSPORTER SYSTEM
(Bifidobacterium
animalis) 		3 / 3 SER A 167
TYR A 291
ASP A 394
 GLC  A 501 ( 4.6A)
GLC  A 502 ( 4.2A)
GLC  A 501 ( 3.0A)
 0.89A 4rp8C-4zzeA:
undetectable		 4rp8C-4zzeA:
19.75
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.
4RTP_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 4pyh PHOSPHOGLUCAN
PHOSPHATASE DSP4,
CHLOROPLASTIC
(Arabidopsis
thaliana) 		5 / 12 GLY A 201
ALA A 200
ILE A 101
ASN A  99
GLN A 217
 PO4  A 408 (-3.5A)
GLC  A 402 ( 3.5A)
None
None
None
 1.28A 4rtpA-4pyhA:
undetectable		 4rtpA-4pyhA:
23.10
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.
4RVD_A_SAMA502_0
(D-MYCAROSE
3-C-METHYLTRANSFERAS
E)		 3vm7 ALPHA-AMYLASE
(Malbranchea
cinnamomea) 		5 / 12 ILE A 140
PHE A 238
HIS A 229
VAL A 230
ILE A 235
 None
None
GLC  A 503 ( 4.0A)
None
None
 1.04A 4rvdA-3vm7A:
undetectable		 4rvdA-3vm7A:
20.81
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.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 5dze ENDO-GLUCANASE
(Vitis
vinifera) 		4 / 6 TYR A 107
GLU A  82
TYR A  77
LEU A  78
 GLC  A 301 ( 3.2A)
GLC  A 301 (-2.1A)
GLC  A 301 (-2.9A)
None
 1.25A 4twdB-5dzeA:
undetectable
4twdC-5dzeA:
undetectable		 4twdB-5dzeA:
20.19
4twdC-5dzeA:
20.19
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.
4TWD_E_377E401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 5dze ENDO-GLUCANASE
(Vitis
vinifera) 		4 / 6 TYR A 107
GLU A  82
TYR A  77
LEU A  78
 GLC  A 301 ( 3.2A)
GLC  A 301 (-2.1A)
GLC  A 301 (-2.9A)
None
 1.21A 4twdD-5dzeA:
undetectable
4twdE-5dzeA:
undetectable		 4twdD-5dzeA:
20.19
4twdE-5dzeA:
20.19
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.
4UAC_A_ACRA501_1
(CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-))		 1elj MALTODEXTRIN-BINDING
PROTEIN
(Pyrococcus
furiosus) 		5 / 12 ALA A  66
ASP A  68
ASN A 159
TRP A 230
LYS A 266
 GLC  A1002 (-3.2A)
GLC  A1003 (-2.8A)
GLC  A1002 ( 3.3A)
GLC  A1001 ( 3.8A)
GLC  A1001 ( 2.6A)
 0.87A 4uacA-1eljA:
33.9		 4uacA-1eljA:
27.61
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.
4UAC_A_ACRA501_1
(CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-))		 2xd3 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN
(Streptococcus
pneumoniae) 		5 / 12 ASP A  82
ASP A 102
ASN A 195
TRP A 273
LYS A 306
 GLC  A1421 (-2.8A)
GLC  A1419 (-2.8A)
GLC  A1419 (-2.9A)
GLC  A1418 (-3.7A)
GLC  A1417 (-2.6A)
 0.68A 4uacA-2xd3A:
36.6		 4uacA-2xd3A:
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.
4UCK_B_SAMB2409_1
(RNA-DIRECTED RNA
POLYMERASE L)		 5hqb ALPHA-GLUCOSIDASE
(Pseudoalteromona
s
sp.
K8) 		4 / 6 GLY A 475
GLU A 173
ASP A 508
ASP A 460
 CL  A 702 ( 3.9A)
GLC  A 712 ( 2.7A)
None
None
 1.05A 4uckB-5hqbA:
undetectable		 4uckB-5hqbA:
21.53
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.
4UH8_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 VAL A 537
ARG A 555
PHE A 615
GLU A 549
 None
GLC  A1008 (-3.1A)
None
None
 1.37A 4uh8A-4okdA:
undetectable
4uh8B-4okdA:
undetectable		 4uh8A-4okdA:
19.91
4uh8B-4okdA:
19.91
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		5 / 12 GLY A 579
PHE A 790
PHE A 776
ALA A 574
PHE A 573
 None
None
None
GLC  A1010 (-3.5A)
None
 1.22A 4wh5A-4okdA:
undetectable		 4wh5A-4okdA:
9.78
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.
4XEY_B_1N1B601_2
(TYROSINE-PROTEIN
KINASE ABL1)		 5ww1 PULULLANASE
(Paenibacillus
barengoltzii) 		3 / 3 MET A 406
ASP A 373
PHE A 372
 GLC  A 702 ( 4.0A)
None
None
 1.06A 4xeyB-5ww1A:
undetectable		 4xeyB-5ww1A:
13.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XI3_D_29SD601_2
(ESTROGEN RECEPTOR)		 2bvm TOXIN B
(Clostridioides
difficile) 		3 / 3 LEU A 265
ASP A 270
ILE A 107
 UDP  A1543 (-3.9A)
GLC  A1544 (-2.9A)
None
 0.70A 4xi3D-2bvmA:
undetectable		 4xi3D-2bvmA:
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.
4XR4_B_AG2B511_1
(HOMOSPERMIDINE
SYNTHASE)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		3 / 3 VAL A 109
PHE A 178
ARG A 442
 None
GLC  A 601 (-3.4A)
GLC  A 601 (-2.9A)
 0.87A 4xr4B-3axiA:
undetectable		 4xr4B-3axiA:
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.
4XT7_A_TOPA302_1
(RV2671)		 1b1y PROTEIN
(BETA-AMYLASE)
(Hordeum
vulgare) 		5 / 11 ILE A  87
THR A 415
ASP A  51
GLU A 378
GLU A 184
 None
None
GLC  A 550 (-3.1A)
BGC  A 551 (-3.3A)
BGC  A 551 (-4.1A)
 1.42A 4xt7A-1b1yA:
undetectable		 4xt7A-1b1yA:
19.53
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.
4XT7_A_TOPA302_1
(RV2671)		 1bdg HEXOKINASE
(Schistosoma
mansoni) 		5 / 11 ILE A 229
GLY A 414
ASP A 209
GLU A 294
THR A 210
 GLC  A 501 (-4.1A)
SO4  A 502 ( 3.8A)
GLC  A 501 (-3.0A)
GLC  A 501 (-3.2A)
GLC  A 501 ( 4.3A)
 1.32A 4xt7A-1bdgA:
undetectable		 4xt7A-1bdgA:
23.54
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.
4XT7_A_TOPA302_1
(RV2671)		 3h1v GLUCOKINASE
(Homo
sapiens) 		5 / 11 ILE X 225
GLY X 410
ASP X 205
GLU X 290
THR X 206
 GLC  X 500 ( 4.1A)
None
GLC  X 500 (-2.9A)
GLC  X 500 (-3.1A)
GLC  X 500 ( 4.2A)
 1.46A 4xt7A-3h1vX:
undetectable		 4xt7A-3h1vX:
21.62
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.
4XT8_A_TMQA302_1
(RV2671)		 1bdg HEXOKINASE
(Schistosoma
mansoni) 		5 / 12 ILE A 229
GLY A 414
ASP A 209
GLU A 294
THR A 210
 GLC  A 501 (-4.1A)
SO4  A 502 ( 3.8A)
GLC  A 501 (-3.0A)
GLC  A 501 (-3.2A)
GLC  A 501 ( 4.3A)
 1.32A 4xt8A-1bdgA:
undetectable		 4xt8A-1bdgA:
23.54
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.
4XT8_A_TMQA302_1
(RV2671)		 3hm8 HEXOKINASE-3
(Homo
sapiens) 		5 / 12 ILE A 683
GLY A 868
ASP A 663
GLU A 748
THR A 664
 GLC  A1001 (-4.2A)
BG6  A1002 (-3.5A)
GLC  A1001 ( 2.9A)
GLC  A1001 (-3.1A)
GLC  A1001 (-4.1A)
 1.33A 4xt8A-3hm8A:
undetectable		 4xt8A-3hm8A:
24.34
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.
4YO9_B_ACTB401_0
(3C-LIKE PROTEINASE)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		3 / 3 ARG A 209
ASP A 205
TYR A 182
 None
None
GLC  A 820 (-4.3A)
 0.82A 4yo9B-3wnpA:
0.6		 4yo9B-3wnpA:
18.44
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.
4YO9_B_ACTB401_0
(3C-LIKE PROTEINASE)		 5axh DEXTRANASE
(Thermoanaerobact
er
pseudethanolicus) 		3 / 3 ARG A 211
ASP A 207
TYR A 184
 None
None
GLC  A 703 ( 4.4A)
 0.78A 4yo9B-5axhA:
1.9		 4yo9B-5axhA:
19.15
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.
4YO9_B_ACTB401_0
(3C-LIKE PROTEINASE)		 5x7h CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Paenibacillus
sp.
598K) 		3 / 3 ARG A 210
ASP A 206
TYR A 183
 None
None
GLC  A 809 ( 4.4A)
 0.86A 4yo9B-5x7hA:
1.1		 4yo9B-5x7hA:
19.17
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.
4Z2E_H_TR6H101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		3 / 5 GLY A 114
GLY A 640
GLU A 637
 PLP  A 999 ( 3.6A)
PLP  A 999 ( 3.2A)
GLC  A 998 (-3.6A)
 0.52A 4z2eA-1e4oA:
undetectable
4z2eD-1e4oA:
2.3		 4z2eA-1e4oA:
21.84
4z2eD-1e4oA:
14.99
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.
4Z53_H_TR6H101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)		 5fkc BETA-FRUCTOFURANOSID
ASE
(Xanthophyllomyce
s
dendrorhous) 		4 / 7 ASP A 221
GLY A 332
GLU A 334
SER A 390
 FRU  A3001 ( 2.7A)
None
GLC  A3002 ( 3.0A)
None
 0.92A 4z53A-5fkcA:
undetectable
4z53B-5fkcA:
undetectable		 4z53A-5fkcA:
23.48
4z53B-5fkcA:
23.48
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.
4ZBR_A_ACTA608_0
(SERUM ALBUMIN)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		3 / 3 LYS A 698
ARG A 699
HIS A 701
 PLP  A1002 (-2.8A)
GLC  A1001 ( 4.9A)
None
 1.07A 4zbrA-5lrbA:
undetectable		 4zbrA-5lrbA:
21.59
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.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A  50
THR A 432
GLU A 459
ILE A 457
ILE A  45
 GLC  A1769 (-3.6A)
None
GLC  A1769 ( 4.6A)
None
None
 1.15A 4zvmA-2cn3A:
undetectable
4zvmB-2cn3A:
undetectable		 4zvmA-2cn3A:
15.10
4zvmB-2cn3A:
15.10
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.
4ZZ8_A_GCSA208_1
(GLUCANASE/CHITOSANAS
E)		 5dze ENDO-GLUCANASE
(Vitis
vinifera) 		4 / 7 GLU A  82
TYR A 167
ASP A  88
ALA A  89
 GLC  A 301 (-2.1A)
None
None
GLC  A 301 ( 3.8A)
 1.03A 4zz8A-5dzeA:
4.6		 4zz8A-5dzeA:
22.80
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.
4ZZC_D_ACTD401_0
(PROTON-GATED ION
CHANNEL)		 4fch OUTER MEMBRANE
PROTEIN SUSE
(Bacteroides
thetaiotaomicron) 		4 / 5 PHE A 352
ARG A 350
ILE A 355
GLU A 360
 None
GLC  A 406 (-3.0A)
GLC  A 407 (-4.6A)
None
 1.43A 4zzcD-4fchA:
0.5
4zzcE-4fchA:
0.4		 4zzcD-4fchA:
19.57
4zzcE-4fchA:
19.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5A06_A_SORA1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 5a05 ALDOSE-ALDOSE
OXIDOREDUCTASE
(Caulobacter
vibrioides) 		7 / 7 LYS A 104
ARG A 132
PHE A 163
ARG A 172
ASP A 185
TYR A 189
TYR A 267
 BGC  A1343 (-2.6A)
NDP  A1340 (-3.7A)
GLC  A1341 ( 3.6A)
NDP  A1340 (-2.8A)
BGC  A1343 ( 3.1A)
BGC  A1343 (-4.2A)
BGC  A1343 (-4.4A)
 0.13A 5a06A-5a05A:
57.4		 5a06A-5a05A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5A06_B_SORB1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 5a05 ALDOSE-ALDOSE
OXIDOREDUCTASE
(Caulobacter
vibrioides) 		7 / 7 LYS A 104
ARG A 132
PHE A 163
ARG A 172
ASP A 185
ILE A 186
TYR A 189
 BGC  A1343 (-2.6A)
NDP  A1340 (-3.7A)
GLC  A1341 ( 3.6A)
NDP  A1340 (-2.8A)
BGC  A1343 ( 3.1A)
None
BGC  A1343 (-4.2A)
 0.11A 5a06B-5a05A:
33.4		 5a06B-5a05A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5A06_C_SORC1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 5a05 ALDOSE-ALDOSE
OXIDOREDUCTASE
(Caulobacter
vibrioides) 		7 / 7 LYS A 104
ARG A 132
PHE A 163
ARG A 172
ASP A 185
TYR A 189
TYR A 267
 BGC  A1343 (-2.6A)
NDP  A1340 (-3.7A)
GLC  A1341 ( 3.6A)
NDP  A1340 (-2.8A)
BGC  A1343 ( 3.1A)
BGC  A1343 (-4.2A)
BGC  A1343 (-4.4A)
 0.14A 5a06C-5a05A:
57.1		 5a06C-5a05A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5A06_D_SORD1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 5a05 ALDOSE-ALDOSE
OXIDOREDUCTASE
(Caulobacter
vibrioides) 		7 / 7 LYS A 104
ARG A 132
PHE A 163
ARG A 172
ASP A 185
TYR A 189
TYR A 267
 BGC  A1343 (-2.6A)
NDP  A1340 (-3.7A)
GLC  A1341 ( 3.6A)
NDP  A1340 (-2.8A)
BGC  A1343 ( 3.1A)
BGC  A1343 (-4.2A)
BGC  A1343 (-4.4A)
 0.11A 5a06D-5a05A:
57.5		 5a06D-5a05A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5A06_E_SORE1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 5a05 ALDOSE-ALDOSE
OXIDOREDUCTASE
(Caulobacter
vibrioides) 		7 / 7 LYS A 104
ARG A 132
PHE A 163
ARG A 172
ASP A 185
TYR A 189
TYR A 267
 BGC  A1343 (-2.6A)
NDP  A1340 (-3.7A)
GLC  A1341 ( 3.6A)
NDP  A1340 (-2.8A)
BGC  A1343 ( 3.1A)
BGC  A1343 (-4.2A)
BGC  A1343 (-4.4A)
 0.09A 5a06E-5a05A:
57.5		 5a06E-5a05A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5A06_F_SORF1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 5a05 ALDOSE-ALDOSE
OXIDOREDUCTASE
(Caulobacter
vibrioides) 		7 / 7 LYS A 104
ARG A 132
PHE A 163
ARG A 172
ASP A 185
TYR A 189
TYR A 267
 BGC  A1343 (-2.6A)
NDP  A1340 (-3.7A)
GLC  A1341 ( 3.6A)
NDP  A1340 (-2.8A)
BGC  A1343 ( 3.1A)
BGC  A1343 (-4.2A)
BGC  A1343 (-4.4A)
 0.16A 5a06F-5a05A:
57.4		 5a06F-5a05A:
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.
5ADL_A_H4BA600_1
(ENDOTHELIAL NITRIC
OXIDE SYNTHASE)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 VAL A 537
ARG A 555
PHE A 615
GLU A 549
 None
GLC  A1008 (-3.1A)
None
None
 1.40A 5adlA-4okdA:
0.0
5adlB-4okdA:
undetectable		 5adlA-4okdA:
19.91
5adlB-4okdA:
19.91
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.
5AJQ_A_DB8A800_2
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 2nzt HEXOKINASE-2
(Homo
sapiens) 		4 / 4 VAL A 393
ILE A 257
ASN A 235
VAL A  61
 None
None
GLC  A1001 (-3.6A)
UNX  A   4 (-4.1A)
 1.22A 5ajqA-2nztA:
undetectable		 5ajqA-2nztA:
16.43
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.
5ALB_L_TIQL1210_1
(MEDI2452 HEAVY CHAIN
MEDI2452 LIGHT CHAIN)		 4d47 LEVANSUCRASE
(Erwinia
amylovora) 		5 / 11 SER A 353
ILE A 303
THR A 302
TYR A 352
LEU A  69
 FRU  A1415 ( 4.7A)
None
None
GLC  A1416 (-4.0A)
None
 1.45A 5albH-4d47A:
0.0		 5albH-4d47A:
19.81
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.
5ARF_A_SAMA1002_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2)		 4rkk LAFORIN
(Homo
sapiens) 		5 / 12 GLY A 271
ARG A 272
ASN A 201
HIS A 156
PHE A 145
 GLC  A 406 ( 3.3A)
PO4  A 401 ( 3.7A)
None
None
None
 1.03A 5arfA-4rkkA:
undetectable		 5arfA-4rkkA:
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.
5C0O_H_SAMH301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		5 / 12 ALA A 119
GLY A 111
GLY A 116
GLY A 114
LEU A 110
 None
None
GLC  A 997 (-4.8A)
PLP  A 999 ( 3.6A)
None
 0.93A 5c0oH-1e4oA:
2.5		 5c0oH-1e4oA:
17.86
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.
5C0O_H_SAMH301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		5 / 12 ALA A 187
GLY A 179
GLY A 184
GLY A 182
LEU A 178
 None
None
None
GLC  A1001 ( 3.7A)
None
 0.91A 5c0oH-5lrbA:
2.2		 5c0oH-5lrbA:
14.51
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.
5CDQ_F_MFXF2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 5fkc BETA-FRUCTOFURANOSID
ASE
(Xanthophyllomyce
s
dendrorhous) 		4 / 6 SER A 390
ASP A 221
GLY A 332
GLU A 334
 None
FRU  A3001 ( 2.7A)
None
GLC  A3002 ( 3.0A)
 0.97A 5cdqA-5fkcA:
undetectable
5cdqC-5fkcA:
undetectable
5cdqD-5fkcA:
undetectable		 5cdqA-5fkcA:
23.73
5cdqC-5fkcA:
23.73
5cdqD-5fkcA:
14.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CLT_A_ACRA1000_1
(1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME)		 5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME
(Homo
sapiens) 		10 / 10 ASN A  62
GLU A  63
TRP A  91
PRO A  93
TYR A 119
GLY A 120
LYS A 121
TRP A 332
GLU A 333
ARG A 336
 GLC  A1004 ( 3.2A)
GLC  A1004 ( 3.4A)
GLC  A1006 ( 3.8A)
GLC  A1007 ( 4.0A)
GLC  A1005 ( 3.8A)
GLC  A1007 ( 3.7A)
GLC  A1005 ( 2.9A)
GLC  A1005 ( 4.8A)
GLC  A1005 ( 3.5A)
GLC  A1005 ( 4.3A)
 0.32A 5cltA-5clwA:
64.8		 5cltA-5clwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CLT_B_ACRB1000_1
(1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME)		 5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME
(Homo
sapiens) 		10 / 10 ASN A  62
GLU A  63
TRP A  91
PRO A  93
TYR A 119
GLY A 120
LYS A 121
TRP A 332
GLU A 333
ARG A 336
 GLC  A1004 ( 3.2A)
GLC  A1004 ( 3.4A)
GLC  A1006 ( 3.8A)
GLC  A1007 ( 4.0A)
GLC  A1005 ( 3.8A)
GLC  A1007 ( 3.7A)
GLC  A1005 ( 2.9A)
GLC  A1005 ( 4.8A)
GLC  A1005 ( 3.5A)
GLC  A1005 ( 4.3A)
 0.36A 5cltB-5clwA:
67.0		 5cltB-5clwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CLT_C_ACRC1000_1
(1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME)		 5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME
(Homo
sapiens) 		10 / 10 ASN A  62
GLU A  63
TRP A  91
PRO A  93
TYR A 119
GLY A 120
LYS A 121
TRP A 332
GLU A 333
ARG A 336
 GLC  A1004 ( 3.2A)
GLC  A1004 ( 3.4A)
GLC  A1006 ( 3.8A)
GLC  A1007 ( 4.0A)
GLC  A1005 ( 3.8A)
GLC  A1007 ( 3.7A)
GLC  A1005 ( 2.9A)
GLC  A1005 ( 4.8A)
GLC  A1005 ( 3.5A)
GLC  A1005 ( 4.3A)
 0.29A 5cltC-5clwA:
66.1		 5cltC-5clwA:
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 12 ARG A 227
ASP A 229
GLU A 257
HIS A 327
ASP A 328
 GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.78A 5csyB-1kclA:
19.5		 5csyB-1kclA:
21.70
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		5 / 12 ARG A 234
ASP A 236
GLU A 266
HIS A 332
ASP A 333
 None
None
None
None
GLC  A 605 (-3.5A)
 0.58A 5csyB-2d3lA:
5.3		 5csyB-2d3lA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 12 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.34A 5csyB-2ya1A:
16.3		 5csyB-2ya1A:
20.35
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 12 ARG A 200
ASP A 202
GLU A 232
HIS A 314
ASP A 315
 GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 0.51A 5csyB-2z1kA:
4.7		 5csyB-2z1kA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		5 / 12 ARG A 213
ASP A 215
HIS A 305
HIS A 351
ASP A 352
 GLC  A 601 (-3.0A)
GLC  A 601 (-2.9A)
None
GLC  A 601 (-3.9A)
GLC  A 601 (-2.8A)
 0.82A 5csyB-3axiA:
7.7		 5csyB-3axiA:
22.44
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE
(Sulfolobus
solfataricus) 		5 / 12 TRP A 215
ARG A 250
GLU A 283
HIS A 376
ASP A 377
 GLC  A 604 (-3.3A)
GLC  A 604 (-3.1A)
GLC  A 604 (-2.6A)
GLC  A 604 (-4.0A)
GLC  A 604 (-2.7A)
 0.59A 5csyB-3vgfA:
18.0		 5csyB-3vgfA:
21.91
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 3vm7 ALPHA-AMYLASE
(Malbranchea
cinnamomea) 		5 / 12 ARG A 223
ASP A 225
GLU A 249
HIS A 315
ASP A 316
 None
GLC  A 503 (-3.5A)
GLC  A 503 (-2.6A)
None
GLC  A 503 (-3.0A)
 0.45A 5csyB-3vm7A:
19.6		 5csyB-3vm7A:
22.12
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		5 / 12 ARG A 450
ASP A 452
GLU A 527
HIS A 619
ASP A 620
 GLC  A1001 (-3.3A)
GLC  A1001 (-2.0A)
GLC  A1001 (-3.2A)
GLC  A1001 (-4.0A)
GLC  A1001 (-2.7A)
 0.47A 5csyB-4okdA:
17.6		 5csyB-4okdA:
21.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 5csu 4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC
(Arabidopsis
thaliana) 		12 / 12 ASP A 329
LEU A 330
GLN A 336
TRP A 338
ARG A 371
ASP A 373
GLU A 420
GLY A 423
PHE A 446
HIS A 456
HIS A 472
ASP A 473
 GLC  A 608 ( 3.5A)
BGC  A 609 ( 3.6A)
AGL  A 607 ( 3.6A)
HMC  A 606 ( 3.6A)
HMC  A 606 ( 3.7A)
HMC  A 606 ( 3.0A)
AGL  A 607 ( 2.7A)
GLC  A 608 ( 3.6A)
BGC  A 609 ( 4.1A)
BGC  A 609 ( 4.3A)
HMC  A 606 ( 3.8A)
HMC  A 606 ( 2.8A)
 0.31A 5csyB-5csuA:
60.3		 5csyB-5csuA:
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 5jbe INACTIVE
GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 ARG A1013
ASP A1015
GLU A1053
HIS A1124
ASP A1125
 None
None
None
None
GLC  A1711 ( 3.2A)
 0.38A 5csyB-5jbeA:
3.0		 5csyB-5jbeA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 5ww1 PULULLANASE
(Paenibacillus
barengoltzii) 		5 / 12 ARG A 371
ASP A 373
GLU A 402
HIS A 492
ASP A 493
 None
None
GLC  A 701 ( 4.8A)
None
GLC  A 701 ( 4.6A)
 0.31A 5csyB-5ww1A:
4.2		 5csyB-5ww1A:
9.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CSY_B_ACRB601_2
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 5csu 4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC
(Arabidopsis
thaliana) 		5 / 5 TYR A 136
PHE A 331
HIS A 374
LEU A 422
PRO A 539
 HMC  A 606 ( 4.0A)
GLC  A 608 ( 4.7A)
AGL  A 607 ( 3.8A)
GLC  A 608 ( 3.8A)
GLC  A 605 ( 3.6A)
 0.13A 5csyB-5csuA:
60.3		 5csyB-5csuA:
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.
5CZ7_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3wiq KOJIBIOSE
PHOSPHORYLASE
(Caldicellulosiru
ptor
saccharolyticus) 		5 / 12 THR A 658
SER A 632
GLN A 597
GLY A 681
ALA A 677
 None
SO4  A 803 (-3.0A)
GLC  A 801 (-3.2A)
None
None
 1.25A 5cz7V-3wiqA:
undetectable
5cz7W-3wiqA:
undetectable		 5cz7V-3wiqA:
16.69
5cz7W-3wiqA:
14.15
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.
5DSG_B_0HKB1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		 3h1v GLUCOKINASE
(Homo
sapiens) 		3 / 3 ASP X 409
ASN X 231
PHE X 152
 None
GLC  X 500 (-3.8A)
None
 0.78A 5dsgB-3h1vX:
undetectable		 5dsgB-3h1vX:
21.25
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.
5ERG_B_SAMB401_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ILE A 111
VAL A 112
GLY A 107
VAL A 285
LEU A 271
 None
None
GLC  A 501 (-3.7A)
None
None
 1.18A 5ergB-5od2A:
4.2		 5ergB-5od2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHZ_D_READ602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		5 / 12 GLU A 431
ARG A 193
TRP A 152
THR A 176
LEU A 154
 GLC  A 601 (-2.8A)
None
None
None
None
 1.49A 5fhzD-4w8bA:
undetectable		 5fhzD-4w8bA:
20.08
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.
5FUQ_A_ACTA1278_0
(NAD(P)H
DEHYDROGENASE
[QUINONE] 1)		 1fbw ENDO-1,4-BETA-GLUCAN
ASE F
([Clostridium]
cellulolyticum) 		4 / 5 HIS A 318
SER A 317
ILE A 314
TYR A 275
 None
None
GLC  A3095 ( 4.6A)
GLC  A3095 (-4.7A)
 1.37A 5fuqA-1fbwA:
0.0
5fuqB-1fbwA:
0.0		 5fuqA-1fbwA:
18.84
5fuqB-1fbwA:
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.
5GS4_A_ESTA603_1
(ESTROGEN RECEPTOR)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ALA A 281
GLU A 308
MET A 125
ILE A 124
GLY A 120
 GOL  A1468 ( 3.9A)
GOL  A1468 (-2.9A)
None
None
GLC  A 468 (-3.6A)
 0.96A 5gs4A-4b8sA:
undetectable		 5gs4A-4b8sA:
19.14
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.
5GS4_A_ESTA603_1
(ESTROGEN RECEPTOR)		 5jbe INACTIVE
GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 ALA A1016
GLU A1053
MET A1441
ILE A1486
GLY A 973
 None
None
None
GLC  A1708 ( 4.2A)
GLC  A1708 ( 3.5A)
 1.08A 5gs4A-5jbeA:
undetectable		 5gs4A-5jbeA:
13.48
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.
5GS4_A_ESTA603_1
(ESTROGEN RECEPTOR)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 271
GLU A 298
MET A 120
ILE A 119
GLY A 115
 None
8BR  A 501 ( 4.6A)
None
None
GLC  A 503 (-3.7A)
 1.11A 5gs4A-5o0jA:
undetectable		 5gs4A-5o0jA:
17.14
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.
5GTR_A_ESTA601_1
(ESTROGEN RECEPTOR)		 5jbe INACTIVE
GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 ALA A1016
GLU A1053
MET A1441
ILE A1486
GLY A 973
 None
None
None
GLC  A1708 ( 4.2A)
GLC  A1708 ( 3.5A)
 1.14A 5gtrA-5jbeA:
undetectable		 5gtrA-5jbeA:
13.48
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.
5GWZ_D_010D6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
PEDV MAIN PROTEASE)		 5f7r LMO0178 PROTEIN
(Listeria
monocytogenes) 		3 / 3 MET E 264
HIS E 255
GLY E 243
 None
None
GLC  E 501 ( 4.5A)
 0.79A 5gwzB-5f7rE:
undetectable		 5gwzB-5f7rE:
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.
5HBS_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 1fbw ENDO-1,4-BETA-GLUCAN
ASE F
([Clostridium]
cellulolyticum) 		4 / 8 LEU A 149
THR A 226
TYR A 299
GLN A 194
 None
GLC  A3097 ( 3.0A)
GLC  A3097 ( 4.1A)
None
 1.19A 5hbsA-1fbwA:
0.0		 5hbsA-1fbwA:
10.69
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.
5HIE_C_P06C801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE
(Sulfolobus
solfataricus) 		4 / 7 VAL A 246
ILE A 138
ASN A 191
PHE A 249
 None
None
GLC  A 604 ( 4.5A)
None
 0.89A 5hieC-3vgfA:
undetectable		 5hieC-3vgfA:
20.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HQA_A_ACRA705_1
(ALPHA-GLUCOSIDASE)		 5hqb ALPHA-GLUCOSIDASE
(Pseudoalteromona
s
sp.
K8) 		11 / 12 ARG A 171
GLU A 173
HIS A 293
GLU A 330
TRP A 336
HIS A 375
LYS A 405
VAL A 409
GLU A 456
GLU A 474
TRP A 484
 GLC  A 712 ( 2.6A)
GLC  A 712 ( 2.7A)
GLC  A 711 ( 4.0A)
GLC  A 711 (-2.7A)
None
GLC  A 711 (-4.2A)
GLC  A 711 (-2.8A)
GLC  A 712 (-4.7A)
CA  A 701 ( 3.4A)
CA  A 701 ( 2.9A)
GLC  A 713 ( 3.5A)
 0.12A 5hqaA-5hqbA:
74.2		 5hqaA-5hqbA:
99.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HQA_A_ACRA705_2
(ALPHA-GLUCOSIDASE)		 5hqb ALPHA-GLUCOSIDASE
(Pseudoalteromona
s
sp.
K8) 		8 / 8 ASN A 170
TRP A 289
TRP A 299
TRP A 340
PHE A 341
GLU A 377
HIS A 455
THR A 486
 GLC  A 712 (-3.2A)
GLC  A 711 (-4.1A)
GLC  A 711 (-4.5A)
GLC  A 711 (-4.8A)
GOL  A 706 (-3.5A)
GLC  A 711 (-3.7A)
GLC  A 711 (-3.7A)
None
 0.17A 5hqaA-5hqbA:
74.2		 5hqaA-5hqbA:
99.85
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.
5HW8_A_FK5A201_1
(FK506-BINDING
PROTEIN 1)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		5 / 11 TYR A 331
ASP A 377
TRP A 329
ILE A 613
ILE A 525
 GLC  A1001 ( 3.8A)
None
None
None
None
 1.15A 5hw8A-4okdA:
undetectable
5hw8D-4okdA:
undetectable		 5hw8A-4okdA:
10.54
5hw8D-4okdA:
10.54
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.
5HWK_A_BEZA301_0
(GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE)		 5f7r LMO0178 PROTEIN
(Listeria
monocytogenes) 		5 / 10 GLY E 337
GLY E 339
LEU E 340
LEU E 347
ARG E 343
 GLC  E 502 ( 4.9A)
None
None
None
None
 1.27A 5hwkA-5f7rE:
undetectable		 5hwkA-5f7rE:
19.22
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.
5HWK_B_BEZB301_0
(GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE)		 5f7r LMO0178 PROTEIN
(Listeria
monocytogenes) 		5 / 10 GLY E 337
GLY E 339
LEU E 340
LEU E 347
ARG E 343
 GLC  E 502 ( 4.9A)
None
None
None
None
 1.27A 5hwkB-5f7rE:
undetectable		 5hwkB-5f7rE:
19.22
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.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 2nzt HEXOKINASE-2
(Homo
sapiens) 		5 / 12 ILE A 229
ALA A 236
GLY A 448
GLY A 411
GLY A  87
 GLC  A1001 (-4.2A)
None
BG6  A1002 (-3.6A)
None
UNX  A   6 ( 3.4A)
 0.98A 5i73A-2nztA:
undetectable		 5i73A-2nztA:
21.33
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.
5IMS_A_ACTA708_0
(ACETOLACTATE
SYNTHASE CATALYTIC
SUBUNIT,
MITOCHONDRIAL)		 4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1
(Ochrobactrum
anthropi) 		3 / 3 GLY A  69
GLY A  70
GLN A 192
 None
GLC  A 501 (-3.3A)
None
 0.44A 5imsA-4r2bA:
undetectable		 5imsA-4r2bA:
20.50
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.
5IQB_C_KANC600_1
(BIFUNCTIONAL AAC/APH)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		5 / 11 ASN A 565
ASP A 659
TYR A 313
GLU A 568
GLU A 302
 GLC  A1117 (-3.1A)
None
None
None
None
 1.34A 5iqbC-5f7uA:
undetectable		 5iqbC-5f7uA:
14.63
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.
5IWU_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 1ven BETA-AMYLASE
(Bacillus
cereus) 		4 / 6 GLY A 168
ILE A 353
TYR A 310
TYR A 178
 None
None
None
GLC  A 903 (-4.5A)
 0.98A 5iwuA-1venA:
undetectable		 5iwuA-1venA:
22.04
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.
5IWU_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 1ven BETA-AMYLASE
(Bacillus
cereus) 		4 / 6 GLY A 171
ILE A 353
TYR A 310
TYR A 178
 GLC  A 900 ( 4.9A)
None
None
GLC  A 903 (-4.5A)
 0.97A 5iwuA-1venA:
undetectable		 5iwuA-1venA:
22.04
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.
5J4N_A_AG2A501_1
(ARGININE/AGMATINE
ANTIPORTER)		 1b1y PROTEIN
(BETA-AMYLASE)
(Hordeum
vulgare) 		4 / 6 SER A 193
GLY A  94
ASN A  96
ILE A 130
 None
None
GLC  A 550 (-4.4A)
None
 1.04A 5j4nA-1b1yA:
0.0		 5j4nA-1b1yA:
22.64
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.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.40A 5kb5A-1ua4A:
25.2		 5kb5A-1ua4A:
22.95
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.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A 440
GLY A 437
ALA A 268
GLY A 111
ASP A  34
 BGC  A2457 ( 2.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 4.7A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 2.8A)
 0.72A 5kb5A-1ua4A:
25.2		 5kb5A-1ua4A:
22.95
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.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 ASP A  42
GLY A 119
GLY A 120
GLY A 448
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
GLC  A 468 ( 4.0A)
GLC  A 468 (-2.9A)
 0.37A 5kb5A-4b8sA:
23.3		 5kb5A-4b8sA:
24.07
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.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A  37
GLY A 114
GLY A 115
GLY A 440
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
GLC  A 503 ( 4.1A)
GLC  A 503 (-2.6A)
 0.42A 5kb5A-5o0jA:
24.5		 5kb5A-5o0jA:
14.79
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.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
ALA A 201
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
None
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 0.54A 5kb5A-5od2A:
23.5		 5kb5A-5od2A:
15.24
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.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A  28
GLY A 106
GLY A 107
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 0.42A 5kb5A-5od2A:
23.5		 5kb5A-5od2A:
15.24
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.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 ASP A 442
GLY A 439
ALA A 274
GLY A 106
ASP A  28
 GLC  A 501 ( 2.6A)
PO4  A 504 (-3.1A)
GLC  A 501 ( 4.3A)
GLC  A 501 (-3.2A)
GLC  A 501 (-2.7A)
 0.71A 5kb5A-5od2A:
23.5		 5kb5A-5od2A:
15.24
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.
5KR0_A_478A101_1
(PROTEASE E35D-APV)		 1ogo DEXTRANASE
(Talaromyces
minioluteus) 		5 / 9 ALA X 397
ASP X 395
GLY X 458
ILE X 457
PRO X 489
 None
GLC  X1576 (-2.7A)
None
None
None
 1.17A 5kr0A-1ogoX:
undetectable		 5kr0A-1ogoX:
9.21
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.
5KR0_A_478A101_1
(PROTEASE E35D-APV)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 9 ASN A 172
ALA A 201
GLY A 233
VAL A 438
ILE A 199
 GLC  A 501 (-4.1A)
None
None
PO4  A 504 ( 4.3A)
GLC  A 501 ( 4.4A)
 1.17A 5kr0A-5od2A:
undetectable		 5kr0A-5od2A:
27.27
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.
5KR2_A_ROCA101_1
(PROTEASE PR5-SQV)		 2bvm TOXIN B
(Clostridioides
difficile) 		5 / 9 ASN A 264
ALA A 267
ILE A 403
GLY A 470
ILE A 466
 None
None
None
GLC  A1544 (-3.2A)
None
 1.25A 5kr2A-2bvmA:
undetectable		 5kr2A-2bvmA:
12.77
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.
5KR2_C_ROCC101_1
(PROTEASE PR5-SQV)		 2bvm TOXIN B
(Clostridioides
difficile) 		5 / 9 ASN A 264
ALA A 267
ILE A 403
GLY A 470
ILE A 466
 None
None
None
GLC  A1544 (-3.2A)
None
 0.96A 5kr2C-2bvmA:
undetectable		 5kr2C-2bvmA:
12.77
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.
5L1F_A_6ZPA902_1
(GLUTAMATE RECEPTOR 2)		 1b1y PROTEIN
(BETA-AMYLASE)
(Hordeum
vulgare) 		4 / 8 PRO A 188
TYR A 121
SER A  89
SER A 193
 None
None
GLC  A 550 ( 4.2A)
None
 1.01A 5l1fA-1b1yA:
undetectable
5l1fB-1b1yA:
undetectable		 5l1fA-1b1yA:
20.10
5l1fB-1b1yA:
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.
5L1F_C_6ZPC902_1
(GLUTAMATE RECEPTOR 2)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		4 / 7 SER A 783
TYR A  63
SER A 639
ASN A 449
 None
None
GLC  A 998 (-4.9A)
GLC  A 998 (-3.3A)
 1.23A 5l1fC-1e4oA:
4.1		 5l1fC-1e4oA:
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.
5L8D_B_ACTB601_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 6ffl MALTOSE/MALTODEXTRIN
TRANSPORT PERMEASE
HOMOLOGUE
(Bdellovibrio
bacteriovorus) 		3 / 3 THR A  42
PRO A  65
ASP A  67
 GLC  A 409 (-4.2A)
GLC  A 407 (-4.0A)
GLC  A 407 (-2.9A)
 0.88A 5l8dB-6fflA:
undetectable		 5l8dB-6fflA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF7_B_6V8B304_0
(PROTEASOME SUBUNIT
BETA TYPE-6
PROTEASOME SUBUNIT
BETA TYPE-7)		 1n3p LECTIN PAL
(Pterocarpus
angolensis) 		5 / 12 THR A  46
ALA A  44
GLY A  87
ALA A  85
THR A 131
 None
None
None
GLC  A 253 ( 3.7A)
None
 1.07A 5lf7V-1n3pA:
undetectable
5lf7b-1n3pA:
undetectable		 5lf7V-1n3pA:
21.24
5lf7b-1n3pA:
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.
5LF7_N_6V8N305_0
(PROTEASOME SUBUNIT
BETA TYPE-6
PROTEASOME SUBUNIT
BETA TYPE-7)		 1n3p LECTIN PAL
(Pterocarpus
angolensis) 		5 / 12 THR A  46
ALA A  44
GLY A  87
ALA A  85
THR A 131
 None
None
None
GLC  A 253 ( 3.7A)
None
 1.06A 5lf7H-1n3pA:
undetectable
5lf7N-1n3pA:
undetectable		 5lf7H-1n3pA:
21.24
5lf7N-1n3pA:
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.
5M54_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		5 / 12 VAL A 216
HIS A 112
PHE A 159
GLN A  67
ARG A 213
 GLC  A 601 (-4.5A)
GLC  A 601 (-4.0A)
GLC  A 601 (-4.6A)
None
GLC  A 601 (-3.0A)
 1.14A 5m54B-3axiA:
undetectable		 5m54B-3axiA:
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.
5M54_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		5 / 12 VAL A 216
HIS A 112
PHE A 159
GLN A  67
ARG A 213
 GLC  A 601 (-4.5A)
GLC  A 601 (-4.0A)
GLC  A 601 (-4.6A)
None
GLC  A 601 (-3.0A)
 1.17A 5m54E-3axiA:
2.4		 5m54E-3axiA:
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.
5MSD_A_BEZA1202_0
(CARBOXYLIC ACID
REDUCTASE)		 1btc BETA-AMYLASE
(Glycine
max) 		4 / 5 ILE A 299
PHE A 200
SER A 357
ALA A 310
 None
GLC  A 499 ( 3.6A)
None
None
 1.21A 5msdA-1btcA:
2.6		 5msdA-1btcA:
18.48
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.
5MWU_B_ACTB601_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 6ffl MALTOSE/MALTODEXTRIN
TRANSPORT PERMEASE
HOMOLOGUE
(Bdellovibrio
bacteriovorus) 		3 / 3 THR A  42
PRO A  65
ASP A  67
 GLC  A 409 (-4.2A)
GLC  A 407 (-4.0A)
GLC  A 407 (-2.9A)
 0.88A 5mwuB-6fflA:
undetectable		 5mwuB-6fflA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TZO_A_7V7A201_1
(ENDO-1,4-BETA-XYLANA
SE A)		 4rk6 GLUCOSE-RESISTANCE
AMYLASE REGULATOR
(Weissella
paramesenteroide
s) 		4 / 8 THR A 224
TYR A 216
THR A 185
ARG A 195
 None
None
None
GLC  A 401 (-2.6A)
 1.33A 5tzoA-4rk6A:
undetectable		 5tzoA-4rk6A:
18.93
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.
5UH6_C_RFPC1201_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 2b3b GLUCOSE-BINDING
PROTEIN
(Thermus
thermophilus) 		5 / 12 LEU A 298
ASP A 278
ASN A  35
ILE A   5
HIS A 119
 None
GLC  A2605 (-2.7A)
None
None
GLC  A2605 ( 4.7A)
 1.25A 5uh6C-2b3bA:
0.0		 5uh6C-2b3bA:
15.02
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.
5UHG_C_RFPC1201_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 2b3b GLUCOSE-BINDING
PROTEIN
(Thermus
thermophilus) 		5 / 12 LEU A 298
ASP A 278
ASN A  35
ILE A   5
HIS A 119
 None
GLC  A2605 (-2.7A)
None
None
GLC  A2605 ( 4.7A)
 1.20A 5uhgC-2b3bA:
0.0		 5uhgC-2b3bA:
15.02
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.
5UXD_A_ZITA501_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E MPHH)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		4 / 7 GLU A 241
TYR A 239
ALA A 318
GLY A 284
 None
GLC  A1002 (-3.7A)
None
None
 0.67A 5uxdA-3bc9A:
undetectable		 5uxdA-3bc9A:
17.33
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.
5VLM_A_CVIA301_1
(REGULATORY PROTEIN
TETR)		 1eu1 DIMETHYL SULFOXIDE
REDUCTASE
(Rhodobacter
sphaeroides) 		4 / 8 GLY A  15
TRP A  32
VAL A 487
ASP A 200
 None
GLC  A2003 (-4.1A)
None
None
 1.03A 5vlmA-1eu1A:
undetectable		 5vlmA-1eu1A:
14.58
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.
5VLM_B_CVIB301_1
(REGULATORY PROTEIN
TETR)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		4 / 8 GLY A 364
TRP A  35
ASP A  15
ASP A 359
 None
None
None
GLC  A 602 ( 3.3A)
 1.05A 5vlmB-2z1kA:
undetectable		 5vlmB-2z1kA:
17.34
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.
5VLM_C_CVIC301_1
(REGULATORY PROTEIN
TETR)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		4 / 7 GLN A  63
GLY A  48
GLN A 321
ASP A  52
 GLC  A 503 ( 3.9A)
None
None
None
 0.95A 5vlmC-1ua7A:
undetectable		 5vlmC-1ua7A:
17.61
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.
5VLM_D_CVID301_1
(REGULATORY PROTEIN
TETR)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		4 / 8 GLN A  63
GLY A  48
GLN A 321
ASP A  52
 GLC  A 503 ( 3.9A)
None
None
None
 1.02A 5vlmD-1ua7A:
undetectable		 5vlmD-1ua7A:
17.61
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.
5VLM_E_CVIE301_1
(REGULATORY PROTEIN
TETR)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		4 / 7 GLN A  63
GLY A  48
GLN A 321
ASP A  52
 GLC  A 503 ( 3.9A)
None
None
None
 1.09A 5vlmE-1ua7A:
undetectable		 5vlmE-1ua7A:
17.61
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.
5VNC_C_GCSC801_1
(GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		7 / 10 GLY A 114
HIS A 345
VAL A 420
ASN A 449
LYS A 539
GLU A 637
GLY A 640
 PLP  A 999 ( 3.6A)
GLC  A 998 (-4.3A)
None
GLC  A 998 (-3.3A)
GLC  A 998 (-4.0A)
GLC  A 998 (-3.6A)
PLP  A 999 ( 3.2A)
 0.73A 5vncC-1e4oA:
16.8		 5vncC-1e4oA:
7.29
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.
5VNC_C_GCSC801_1
(GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		7 / 10 GLY A 182
HIS A 421
VAL A 584
ASN A 613
LYS A 704
GLU A 806
GLY A 809
 GLC  A1001 ( 3.7A)
GLC  A1001 (-3.7A)
None
GLC  A1001 (-3.8A)
GLC  A1001 (-3.1A)
GLC  A1001 (-3.4A)
GLC  A1001 ( 3.6A)
 0.81A 5vncC-5lrbA:
16.4		 5vncC-5lrbA:
6.34
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.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 GLY A 233
ASP A 440
GLY A 111
ASN A  32
ILE A 116
 None
BGC  A2457 ( 2.7A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.5A)
None
 0.84A 5vopA-1ua4A:
3.3		 5vopA-1ua4A:
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.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 GLY A 241
ASP A 451
GLY A 119
ASN A  40
ILE A 124
 None
GLC  A 468 (-2.9A)
GLC  A 468 (-3.5A)
GLC  A 468 ( 4.1A)
None
 0.76A 5vopA-4b8sA:
3.0		 5vopA-4b8sA:
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.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5o0j ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
horikoshii) 		5 / 12 GLY A 236
ASP A 443
GLY A 114
ASN A  35
ILE A 119
 None
GLC  A 503 (-2.6A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.4A)
None
 0.85A 5vopA-5o0jA:
3.3		 5vopA-5o0jA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 GLY A 233
ASP A 442
GLY A 106
ASN A  26
ILE A 111
 None
GLC  A 501 ( 2.6A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.8A)
None
 0.83A 5vopA-5od2A:
3.0		 5vopA-5od2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4b8s ADP-DEPENDENT
GLUCOKINASE
(Thermococcus
litoralis) 		5 / 12 GLY A 241
ASP A 451
GLY A 119
ASN A  40
ILE A 124
 None
GLC  A 468 (-2.9A)
GLC  A 468 (-3.5A)
GLC  A 468 ( 4.1A)
None
 0.81A 5vopB-4b8sA:
2.8		 5vopB-4b8sA:
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.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 GLY A 233
ASP A 442
GLY A 106
ASN A  26
ILE A 111
 None
GLC  A 501 ( 2.6A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.8A)
None
 0.83A 5vopB-5od2A:
2.7		 5vopB-5od2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUN_A_MTLA805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2mpr MALTOPORIN
(Salmonella
enterica) 		4 / 8 ARG A 109
GLN A  87
ASN A  63
ASP A  61
 GLC  A 429 ( 3.0A)
None
None
None
 1.29A 5vunA-2mprA:
undetectable		 5vunA-2mprA:
21.94
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.
5VUN_A_MTLA805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5gr1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB
(Cyanothece
sp.
ATCC
51142) 		4 / 8 SER A 709
GLN A 625
PHE A 629
ASN A 708
 None
GOL  A 824 (-4.4A)
None
GLC  A 815 ( 4.1A)
 1.24A 5vunA-5gr1A:
undetectable		 5vunA-5gr1A:
19.22
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.
5VUN_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1mpo MALTOPORIN
(Escherichia
coli) 		4 / 8 ARG A 109
GLN A  87
ASN A  63
ASP A  61
 GLC  A 432 (-3.3A)
None
None
None
 1.29A 5vunB-1mpoA:
0.0		 5vunB-1mpoA:
21.06
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.
5VUN_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2mpr MALTOPORIN
(Salmonella
enterica) 		4 / 8 ARG A 109
GLN A  87
ASN A  63
ASP A  61
 GLC  A 429 ( 3.0A)
None
None
None
 1.23A 5vunB-2mprA:
undetectable		 5vunB-2mprA:
21.94
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.
5VUN_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5gr1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB
(Cyanothece
sp.
ATCC
51142) 		4 / 8 SER A 709
GLN A 625
PHE A 629
ASN A 708
 None
GOL  A 824 (-4.4A)
None
GLC  A 815 ( 4.1A)
 1.34A 5vunB-5gr1A:
undetectable		 5vunB-5gr1A:
19.22
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.
5VUO_B_ACTB804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		3 / 3 GLY A 390
TRP A 229
VAL A 225
 GLC  A1005 (-3.2A)
GLC  A1006 (-4.3A)
None
 0.52A 5vuoB-4okdA:
undetectable		 5vuoB-4okdA:
17.02
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.
5VUO_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1mpo MALTOPORIN
(Escherichia
coli) 		4 / 8 ARG A 109
GLN A  87
ASN A  63
ASP A  61
 GLC  A 432 (-3.3A)
None
None
None
 1.28A 5vuoB-1mpoA:
0.0		 5vuoB-1mpoA:
21.06
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.
5VUO_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2mpr MALTOPORIN
(Salmonella
enterica) 		4 / 8 ARG A 109
GLN A  87
ASN A  63
ASP A  61
 GLC  A 429 ( 3.0A)
None
None
None
 1.22A 5vuoB-2mprA:
undetectable		 5vuoB-2mprA:
21.94
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.
5VV9_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 7 VAL A 537
ARG A 555
PHE A 615
GLU A 549
 None
GLC  A1008 (-3.1A)
None
None
 1.42A 5vv9A-4okdA:
undetectable
5vv9B-4okdA:
undetectable		 5vv9A-4okdA:
19.91
5vv9B-4okdA:
19.91
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.
5WBV_A_SAMA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 5axh DEXTRANASE
(Thermoanaerobact
er
pseudethanolicus) 		3 / 3 HIS A 190
GLU A 297
ASN A 234
 GLC  A 703 ( 4.0A)
None
None
 1.02A 5wbvA-5axhA:
undetectable		 5wbvA-5axhA:
18.07
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		 1fbw ENDO-1,4-BETA-GLUCAN
ASE F
([Clostridium]
cellulolyticum) 		4 / 8 PRO A 193
ALA A  45
THR A 188
THR A 191
 None
GLC  A3100 ( 3.9A)
None
None
 1.02A 5x2tI-1fbwA:
undetectable
5x2tJ-1fbwA:
undetectable
5x2tK-1fbwA:
undetectable
5x2tL-1fbwA:
undetectable		 5x2tI-1fbwA:
11.98
5x2tJ-1fbwA:
12.70
5x2tK-1fbwA:
11.98
5x2tL-1fbwA:
12.70
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.
5X7P_A_ACRA1401_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		5 / 10 ARG A 614
TRP A 627
ASP A 630
PHE A 663
HIS A 689
 GLC  A1116 (-2.8A)
GLC  A1117 (-4.6A)
GLC  A1117 (-2.7A)
GLC  A1116 (-4.6A)
GLC  A1117 (-4.1A)
 0.76A 5x7pA-5f7uA:
20.9		 5x7pA-5f7uA:
23.50
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.
5X7P_A_ACRA1401_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5x3j GLYCOSIDE HYDROLASE
FAMILY 31
(Kribbella
flavida) 		5 / 10 ARG A 500
TRP A 513
ASP A 516
PHE A 549
HIS A 575
 GLC  A 819 ( 2.9A)
GLC  A 822 ( 4.6A)
GLC  A 822 ( 2.8A)
GLC  A 822 ( 4.8A)
GLC  A 822 ( 4.0A)
 0.74A 5x7pA-5x3jA:
21.9		 5x7pA-5x3jA:
6.41
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.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1
(Ochrobactrum
anthropi) 		4 / 7 ASN A 144
HIS A 146
TRP A 272
ASN A 303
 None
GLC  A 501 (-4.4A)
GLC  A 501 (-3.5A)
GLC  A 501 (-3.9A)
 1.13A 5x7pA-4r2bA:
undetectable		 5x7pA-4r2bA:
15.56
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.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5awp ISOMALTODEXTRANASE
(Arthrobacter
globiformis) 		5 / 7 ASN A 488
HIS A 489
ASP A 499
TRP A 566
ASN A 598
 GLC  A 704 ( 4.4A)
GLC  A 704 (-3.9A)
None
GLC  A 704 (-3.6A)
GLC  A 704 (-3.0A)
 0.17A 5x7pA-5awpA:
7.4		 5x7pA-5awpA:
19.82
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.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		4 / 7 ASP A 998
TRP A1051
GLY A1081
ASN A1083
 GLC  A1113 (-4.0A)
GLC  A1112 (-3.6A)
GLC  A1113 (-3.2A)
GLC  A1112 (-2.9A)
 0.93A 5x7pA-5f7uA:
20.9		 5x7pA-5f7uA:
23.50
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.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		4 / 7 HIS A 985
TRP A1051
GLY A 996
ASN A1083
 GLC  A1112 (-3.9A)
GLC  A1112 (-3.6A)
GLC  A1112 (-3.6A)
GLC  A1112 (-2.9A)
 1.12A 5x7pA-5f7uA:
20.9		 5x7pA-5f7uA:
23.50
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.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		4 / 7 HIS A 985
TRP A1051
GLY A1081
ASN A1083
 GLC  A1112 (-3.9A)
GLC  A1112 (-3.6A)
GLC  A1113 (-3.2A)
GLC  A1112 (-2.9A)
 0.52A 5x7pA-5f7uA:
20.9		 5x7pA-5f7uA:
23.50
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.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5x7h CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Paenibacillus
sp.
598K) 		5 / 7 ASN A 439
HIS A 440
ASP A 450
TRP A 507
ASN A 540
 GLC  A 811 ( 4.7A)
GLC  A 811 ( 3.7A)
None
GLC  A 811 ( 3.9A)
GLC  A 811 ( 2.8A)
 0.28A 5x7pA-5x7hA:
3.9		 5x7pA-5x7hA:
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.
5X7P_B_ACRB1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		4 / 5 ASP A 998
TRP A1051
GLY A1081
ASN A1083
 GLC  A1113 (-4.0A)
GLC  A1112 (-3.6A)
GLC  A1113 (-3.2A)
GLC  A1112 (-2.9A)
 0.91A 5x7pB-5f7uA:
22.7		 5x7pB-5f7uA:
23.50
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.
5X7P_B_ACRB1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		4 / 5 HIS A 985
TRP A1051
GLY A 996
ASN A1083
 GLC  A1112 (-3.9A)
GLC  A1112 (-3.6A)
GLC  A1112 (-3.6A)
GLC  A1112 (-2.9A)
 1.11A 5x7pB-5f7uA:
22.7		 5x7pB-5f7uA:
23.50
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.
5X7P_B_ACRB1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		4 / 5 HIS A 985
TRP A1051
GLY A1081
ASN A1083
 GLC  A1112 (-3.9A)
GLC  A1112 (-3.6A)
GLC  A1113 (-3.2A)
GLC  A1112 (-2.9A)
 0.51A 5x7pB-5f7uA:
22.7		 5x7pB-5f7uA:
23.50
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.
5Y9Y_A_ACTA412_0
(UNCHARACTERIZED
PROTEIN KDOO)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		3 / 3 ARG A 460
PHE A 186
ARG A 456
 GLC  A 703 ( 4.6A)
GLC  A 703 (-4.8A)
GLC  A 703 ( 2.9A)
 1.25A 5y9yA-4hozA:
undetectable		 5y9yA-4hozA:
20.07
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.
5YOD_F_BEZF201_0
(NS3 PROTEASE)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 5 HIS A 382
ALA A 384
SER A 332
TYR A 314
 GLC  A1001 (-4.4A)
None
GLC  A1003 ( 4.7A)
GLC  A1003 ( 4.4A)
 1.38A 5yodF-4okdA:
undetectable		 5yodF-4okdA:
12.41
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.
6AF6_A_GLYA507_0
(L-PROLYL-[PEPTIDYL-C
ARRIER PROTEIN]
DEHYDROGENASE)		 2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE
(Deinococcus
radiodurans) 		3 / 3 TYR A  92
HIS A 251
MET A 252
 None
GLC  A1606 (-4.2A)
None
 1.16A 6af6A-2bxyA:
undetectable		 6af6A-2bxyA:
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.
6AG0_A_ACRA605_0
(ALPHA-AMYLASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		7 / 8 TYR A 160
GLY A 182
LYS A 185
ASP A 207
ASP A 209
HIS A 210
PRO A 211
 GLC  A 621 (-4.0A)
None
None
CA  A 501 (-2.9A)
CA  A 501 (-3.4A)
None
None
 0.64A 6ag0A-2d3lA:
59.6		 6ag0A-2d3lA:
9.55
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.
6AG0_A_ACRA608_0
(ALPHA-AMYLASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		5 / 6 GLY A   7
THR A  40
GLN A  98
TYR A 100
TYR A 363
 GLC  A 632 (-3.6A)
GLC  A 631 (-3.8A)
GLC  A 631 (-3.4A)
None
GLC  A 632 (-3.8A)
 0.32A 6ag0A-2d3lA:
55.4		 6ag0A-2d3lA:
9.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AG0_A_ACRA609_0
(ALPHA-AMYLASE)		 1w9x ALPHA AMYLASE
(Bacillus
halmapalus) 		7 / 7 LYS A  72
GLY A 110
TRP A 140
ASP A 166
TRP A 167
MET A 202
TYR A 203
 AC1  A1496 (-2.9A)
AC1  A1496 (-3.4A)
AC1  A1496 (-3.7A)
GLC  A1495 (-2.7A)
AC1  A1496 (-4.7A)
GLC  A1493 (-3.5A)
GLC  A1495 (-4.0A)
 0.30A 6ag0A-1w9xA:
64.2		 6ag0A-1w9xA:
32.35
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.
6AG0_A_ACRA609_0
(ALPHA-AMYLASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		7 / 7 LYS A  72
GLY A 110
TRP A 140
ASP A 166
TRP A 167
MET A 202
TYR A 203
 GLC  A 601 (-3.0A)
GLC  A 602 ( 3.2A)
GLC  A 602 ( 3.7A)
GLC  A 603 (-2.8A)
GLC  A 602 ( 4.8A)
GLC  A 605 ( 3.5A)
GLC  A 603 (-4.0A)
 0.33A 6ag0A-2d3lA:
59.6		 6ag0A-2d3lA:
9.55
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.
6AG0_A_ACRA609_0
(ALPHA-AMYLASE)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		6 / 7 LYS A 198
GLY A 236
TRP A 260
ASP A 286
TRP A 287
MET A 316
 G6D  A 801 (-3.5A)
GLC  A 802 ( 3.3A)
G6D  A 801 ( 3.6A)
ACI  A 803 (-2.6A)
GLC  A 802 ( 4.3A)
GLC  A 805 (-3.7A)
 0.38A 6ag0A-3bc9A:
48.4		 6ag0A-3bc9A:
15.02
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 TYR A 100
HIS A 140
LEU A 194
ASP A 229
HIS A 233
HIS A 327
ASP A 328
 GLC  A1695 ( 3.1A)
GLC  A1695 (-3.8A)
None
GLC  A1695 (-3.2A)
GLC  A1694 ( 4.0A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.60A 6ag0A-1kclA:
28.5		 6ag0A-1kclA:
8.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 1w9x ALPHA AMYLASE
(Bacillus
halmapalus) 		12 / 12 TRP A  15
TYR A  58
HIS A 107
GLU A 194
TYR A 198
LEU A 201
MET A 202
ASP A 236
LYS A 239
HIS A 240
HIS A 332
ASP A 333
 None
AC1  A1492 ( 3.9A)
AC1  A1492 (-4.3A)
GLC  A1491 (-2.9A)
GLC  A1491 ( 4.7A)
AC1  A1492 ( 4.9A)
GLC  A1493 (-3.5A)
AC1  A1492 (-3.0A)
GLC  A1491 (-2.5A)
AC1  A1492 ( 3.9A)
AC1  A1492 (-3.9A)
AC1  A1492 ( 3.0A)
 0.32A 6ag0A-1w9xA:
64.2		 6ag0A-1w9xA:
32.35
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE
(Deinococcus
radiodurans) 		6 / 12 TYR A 177
HIS A 217
GLU A 376
ASP A 275
HIS A 399
ASP A 400
 None
None
GLC  A1605 (-2.8A)
None
None
None
 0.87A 6ag0A-2bxyA:
25.2		 6ag0A-2bxyA:
8.97
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		12 / 12 TRP A  15
TYR A  58
HIS A 107
GLU A 194
TYR A 198
LEU A 201
MET A 202
ASP A 236
LYS A 239
HIS A 240
HIS A 332
ASP A 333
 None
GLC  A 605 (-4.8A)
None
None
None
None
GLC  A 605 ( 3.5A)
None
None
None
None
GLC  A 605 (-3.5A)
 0.37A 6ag0A-2d3lA:
59.6		 6ag0A-2d3lA:
9.55
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 12 TYR A 667
HIS A 715
ASP A 778
HIS A 894
ASP A 895
 BGC  A2144 (-4.5A)
BGC  A2144 (-4.2A)
BGC  A2144 (-2.8A)
None
GLC  A2150 ( 4.3A)
 0.51A 6ag0A-2ya1A:
18.2		 6ag0A-2ya1A:
6.33
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 12 TYR A  81
HIS A 121
ASP A 202
HIS A 314
ASP A 315
 GLC  A 603 ( 4.0A)
GLC  A 603 (-4.2A)
GLC  A 603 (-2.6A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 0.49A 6ag0A-2z1kA:
26.1		 6ag0A-2z1kA:
8.86
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 3axi OLIGO-1,6-GLUCOSIDAS
E IMA1
(Saccharomyces
cerevisiae) 		5 / 12 TYR A  72
HIS A 112
ASP A 215
HIS A 351
ASP A 352
 GLC  A 601 (-3.7A)
GLC  A 601 (-4.0A)
GLC  A 601 (-2.9A)
GLC  A 601 (-3.9A)
GLC  A 601 (-2.8A)
 0.48A 6ag0A-3axiA:
18.1		 6ag0A-3axiA:
9.52
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		10 / 12 TRP A 131
TYR A 184
HIS A 233
LEU A 315
MET A 316
ASP A 350
LYS A 353
HIS A 354
HIS A 446
ASP A 447
 None
ACI  A 806 ( 4.0A)
ACI  A 806 (-4.4A)
None
GLC  A 805 (-3.7A)
ACI  A 806 (-3.1A)
GLC  A 808 (-2.9A)
GLD  A 807 ( 3.8A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 0.43A 6ag0A-3bc9A:
48.4		 6ag0A-3bc9A:
15.02
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		8 / 12 TYR A 101
HIS A 141
LEU A 195
ASP A 230
LYS A 233
HIS A 234
HIS A 328
ASP A 329
 ACI  A 694 ( 4.0A)
ACI  A 694 (-3.9A)
None
ACI  A 694 (-3.2A)
GLC  A 692 ( 2.8A)
G6D  A 693 ( 3.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.52A 6ag0A-3bmwA:
28.1		 6ag0A-3bmwA:
7.13
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 3vm7 ALPHA-AMYLASE
(Malbranchea
cinnamomea) 		8 / 12 TYR A 102
HIS A 142
LEU A 185
ASP A 225
LYS A 228
HIS A 229
HIS A 315
ASP A 316
 None
None
None
GLC  A 503 (-3.5A)
GLC  A 503 ( 4.4A)
GLC  A 503 ( 4.0A)
None
GLC  A 503 (-3.0A)
 0.62A 6ag0A-3vm7A:
27.4		 6ag0A-3vm7A:
10.08
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		5 / 12 TYR A 331
HIS A 382
ASP A 452
HIS A 619
ASP A 620
 GLC  A1001 ( 3.8A)
GLC  A1001 (-4.4A)
GLC  A1001 (-2.0A)
GLC  A1001 (-4.0A)
GLC  A1001 (-2.7A)
 0.44A 6ag0A-4okdA:
18.6		 6ag0A-4okdA:
8.18
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 5jbe INACTIVE
GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 TYR A1439
LEU A 971
ASP A1015
HIS A1124
ASP A1125
 GLC  A1711 ( 4.4A)
None
None
None
GLC  A1711 ( 3.2A)
 0.68A 6ag0A-5jbeA:
12.3		 6ag0A-5jbeA:
6.67
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 5ww1 PULULLANASE
(Paenibacillus
barengoltzii) 		5 / 12 TYR A 259
HIS A 307
ASP A 373
HIS A 492
ASP A 493
 None
None
None
None
GLC  A 701 ( 4.6A)
 0.46A 6ag0A-5ww1A:
23.4		 6ag0A-5ww1A:
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.
6AG0_C_ACRC605_0
(ALPHA-AMYLASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		7 / 8 TYR A 160
GLY A 182
LYS A 185
ASP A 207
ASP A 209
HIS A 210
PRO A 211
 GLC  A 621 (-4.0A)
None
None
CA  A 501 (-2.9A)
CA  A 501 (-3.4A)
None
None
 0.65A 6ag0C-2d3lA:
59.6		 6ag0C-2d3lA:
9.55
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.
6AG0_C_ACRC606_0
(ALPHA-AMYLASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		5 / 6 GLY A   7
THR A  40
GLN A  98
TYR A 100
TYR A 363
 GLC  A 632 (-3.6A)
GLC  A 631 (-3.8A)
GLC  A 631 (-3.4A)
None
GLC  A 632 (-3.8A)
 0.29A 6ag0C-2d3lA:
59.6		 6ag0C-2d3lA:
9.55
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.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 12 LEU A 194
ASP A 229
HIS A 233
HIS A 327
ASP A 328
 None
GLC  A1695 (-3.2A)
GLC  A1694 ( 4.0A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.50A 6ag0C-1kclA:
28.4		 6ag0C-1kclA:
8.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 1w9x ALPHA AMYLASE
(Bacillus
halmapalus) 		10 / 12 TRP A  15
GLU A 194
TYR A 198
LEU A 201
MET A 202
ASP A 236
LYS A 239
HIS A 240
HIS A 332
ASP A 333
 None
GLC  A1491 (-2.9A)
GLC  A1491 ( 4.7A)
AC1  A1492 ( 4.9A)
GLC  A1493 (-3.5A)
AC1  A1492 (-3.0A)
GLC  A1491 (-2.5A)
AC1  A1492 ( 3.9A)
AC1  A1492 (-3.9A)
AC1  A1492 ( 3.0A)
 0.34A 6ag0C-1w9xA:
64.3		 6ag0C-1w9xA:
32.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 1w9x ALPHA AMYLASE
(Bacillus
halmapalus) 		7 / 12 TRP A  15
LEU A 201
MET A 202
ASP A 236
TYR A 295
HIS A 332
ASP A 333
 None
AC1  A1492 ( 4.9A)
GLC  A1493 (-3.5A)
AC1  A1492 (-3.0A)
BGC  A1490 ( 4.5A)
AC1  A1492 (-3.9A)
AC1  A1492 ( 3.0A)
 0.75A 6ag0C-1w9xA:
64.3		 6ag0C-1w9xA:
32.35
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.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE
(Deinococcus
radiodurans) 		5 / 12 GLU A 376
HIS A 310
TYR A 346
HIS A 399
ASP A 400
 GLC  A1605 (-2.8A)
GLC  A1605 (-4.2A)
None
None
None
 1.08A 6ag0C-2bxyA:
24.9		 6ag0C-2bxyA:
8.97
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.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE
(Deinococcus
radiodurans) 		5 / 12 TRP A 175
GLU A 376
ASP A 275
HIS A 399
ASP A 400
 None
GLC  A1605 (-2.8A)
None
None
None
 1.24A 6ag0C-2bxyA:
24.9		 6ag0C-2bxyA:
8.97
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.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		10 / 12 TRP A  15
GLU A 194
TYR A 198
LEU A 201
MET A 202
ASP A 236
LYS A 239
HIS A 240
HIS A 332
ASP A 333
 None
None
None
None
GLC  A 605 ( 3.5A)
None
None
None
None
GLC  A 605 (-3.5A)
 0.39A 6ag0C-2d3lA:
59.6		 6ag0C-2d3lA:
9.55
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.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		7 / 12 TRP A  15
LEU A 201
ASP A 236
HIS A 240
TYR A 295
HIS A 332
ASP A 333
 None
None
None
None
None
None
GLC  A 605 (-3.5A)
 0.82A 6ag0C-2d3lA:
59.6		 6ag0C-2d3lA:
9.55
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.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		8 / 12 TRP A 131
LEU A 315
MET A 316
ASP A 350
LYS A 353
HIS A 354
HIS A 446
ASP A 447
 None
None
GLC  A 805 (-3.7A)
ACI  A 806 (-3.1A)
GLC  A 808 (-2.9A)
GLD  A 807 ( 3.8A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 0.45A 6ag0C-3bc9A:
48.4		 6ag0C-3bc9A:
15.02
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.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 LEU A 195
ASP A 230
LYS A 233
HIS A 234
HIS A 328
ASP A 329
 None
ACI  A 694 (-3.2A)
GLC  A 692 ( 2.8A)
G6D  A 693 ( 3.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.47A 6ag0C-3bmwA:
28.3		 6ag0C-3bmwA:
7.13
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.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 3vm7 ALPHA-AMYLASE
(Malbranchea
cinnamomea) 		7 / 12 LEU A 185
ASP A 225
LYS A 228
HIS A 229
TYR A 275
HIS A 315
ASP A 316
 None
GLC  A 503 (-3.5A)
GLC  A 503 ( 4.4A)
GLC  A 503 ( 4.0A)
None
None
GLC  A 503 (-3.0A)
 0.90A 6ag0C-3vm7A:
27.4		 6ag0C-3vm7A:
10.08
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.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 5jbe INACTIVE
GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 LEU A 971
ASP A1015
TYR A1079
HIS A1124
ASP A1125
 None
None
ACT  A1706 (-4.6A)
None
GLC  A1711 ( 3.2A)
 0.98A 6ag0C-5jbeA:
12.4		 6ag0C-5jbeA:
6.67
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.
6AG0_C_ACRC608_1
(ALPHA-AMYLASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		3 / 3 TYR A  58
ALA A 339
LEU A 340
 GLC  A 605 (-4.8A)
GLC  A 605 ( 4.0A)
None
 0.39A 6ag0C-2d3lA:
59.6		 6ag0C-2d3lA:
9.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AG0_C_ACRC609_0
(ALPHA-AMYLASE)		 1w9x ALPHA AMYLASE
(Bacillus
halmapalus) 		7 / 7 LYS A  72
GLY A 110
TRP A 140
ASP A 166
TRP A 167
MET A 202
TYR A 203
 AC1  A1496 (-2.9A)
AC1  A1496 (-3.4A)
AC1  A1496 (-3.7A)
GLC  A1495 (-2.7A)
AC1  A1496 (-4.7A)
GLC  A1493 (-3.5A)
GLC  A1495 (-4.0A)
 0.28A 6ag0C-1w9xA:
64.3		 6ag0C-1w9xA:
32.35
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.
6AG0_C_ACRC609_0
(ALPHA-AMYLASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		7 / 7 LYS A  72
GLY A 110
TRP A 140
ASP A 166
TRP A 167
MET A 202
TYR A 203
 GLC  A 601 (-3.0A)
GLC  A 602 ( 3.2A)
GLC  A 602 ( 3.7A)
GLC  A 603 (-2.8A)
GLC  A 602 ( 4.8A)
GLC  A 605 ( 3.5A)
GLC  A 603 (-4.0A)
 0.36A 6ag0C-2d3lA:
59.6		 6ag0C-2d3lA:
9.55
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.
6AG0_C_ACRC609_0
(ALPHA-AMYLASE)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		6 / 7 LYS A 198
GLY A 236
TRP A 260
ASP A 286
TRP A 287
MET A 316
 G6D  A 801 (-3.5A)
GLC  A 802 ( 3.3A)
G6D  A 801 ( 3.6A)
ACI  A 803 (-2.6A)
GLC  A 802 ( 4.3A)
GLC  A 805 (-3.7A)
 0.38A 6ag0C-3bc9A:
48.4		 6ag0C-3bc9A:
15.02
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.
6AUU_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1mpo MALTOPORIN
(Escherichia
coli) 		4 / 8 ARG A 109
GLN A  87
ASN A  63
ASP A  61
 GLC  A 432 (-3.3A)
None
None
None
 1.29A 6auuB-1mpoA:
0.0		 6auuB-1mpoA:
21.06
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.
6AUU_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2mpr MALTOPORIN
(Salmonella
enterica) 		4 / 8 ARG A 109
GLN A  87
ASN A  63
ASP A  61
 GLC  A 429 ( 3.0A)
None
None
None
 1.22A 6auuB-2mprA:
undetectable		 6auuB-2mprA:
21.94
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.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN
(Escherichia
coli;
Staphylococcus
aureus) 		3 / 3 TYR A 155
ASN A 227
LEU A 113
 GLC  A 671 ( 4.1A)
None
None
 0.81A 6b58A-1hsjA:
0.2		 6b58A-1hsjA:
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.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 1y4c MALTOSE BINDING
PROTEIN FUSED WITH
DESIGNED HELICAL
PROTEIN
(Escherichia
coli) 		3 / 3 TYR A 155
ASN A 227
LEU A 113
 GLC  A 371 (-3.9A)
None
None
 0.80A 6b58A-1y4cA:
5.3		 6b58A-1y4cA:
22.38
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.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 3dm0 MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH RACK1
(Escherichia
coli;
Arabidopsis
thaliana) 		3 / 3 TYR A 155
ASN A 227
LEU A 113
 GLC  A 672 (-3.9A)
None
None
 0.77A 6b58A-3dm0A:
undetectable		 6b58A-3dm0A:
21.72
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.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 3f5f MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HEPARAN SULFATE
2-O-SULFOTRANSFERASE
1
(Escherichia
coli;
Gallus
gallus) 		3 / 3 TYR A 155
ASN A 227
LEU A 113
 GLC  A 672 (-3.8A)
None
None
 0.82A 6b58A-3f5fA:
2.7		 6b58A-3f5fA:
20.98
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.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 3h4z MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH ALLERGEN
DERP7
(Escherichia
coli;
Dermatophagoides
pteronyssinus) 		3 / 3 TYR A 155
ASN A 227
LEU A 113
 GLC  A 672 (-3.9A)
None
None
 0.78A 6b58A-3h4zA:
undetectable		 6b58A-3h4zA:
22.17
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.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 4qsz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
JMJC
DOMAIN-CONTAINING
PROTEIN 7 CHIMERA
(Escherichia
coli;
Mus
musculus) 		3 / 3 TYR A-216
ASN A-144
LEU A-258
 GLC  A 901 ( 3.8A)
None
None
 0.84A 6b58A-4qszA:
undetectable		 6b58A-4qszA:
21.31
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.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 5t03 MALTOSE BINDING
PROTEIN - HEPARAN
SULFATE
6-O-SULFOTRANSFERASE
ISOFORM 3 FUSION
PROTEIN
(Escherichia
coli;
Danio
rerio) 		3 / 3 TYR A 155
ASN A 227
LEU A 113
 GLC  A1412 ( 3.8A)
None
None
 0.81A 6b58A-5t03A:
undetectable		 6b58A-5t03A:
20.78
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.
6B8K_A_W9TA300_0
(GALECTIN-3)		 3wuc GALECTIN
(Xenopus
laevis) 		6 / 7 HIS A  47
ASN A  49
ARG A  51
ASN A  64
TRP A  71
GLU A  74
 GAL  A 202 ( 3.9A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
GAL  A 202 (-3.9A)
GAL  A 202 ( 3.7A)
GLC  A 201 (-2.8A)
 0.28A 6b8kA-3wucA:
18.6		 6b8kA-3wucA:
22.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B8K_A_W9TA300_0
(GALECTIN-3)		 3wud GALECTIN
(Xenopus
laevis) 		7 / 7 HIS A  45
ASN A  47
ARG A  49
ASN A  62
TRP A  69
GLU A  72
ARG A  74
 GAL  A 202 (-3.8A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
GAL  A 202 (-3.9A)
GAL  A 202 (-3.9A)
GLC  A 201 (-2.7A)
GLC  A 201 (-4.0A)
 0.64A 6b8kA-3wudA:
19.5		 6b8kA-3wudA:
36.90
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.
6B8K_A_W9TA300_0
(GALECTIN-3)		 3wv6 GALECTIN-9
(Homo
sapiens) 		7 / 7 HIS A 235
ASN A 237
ARG A 239
ASN A 248
TRP A 255
GLU A 258
ARG A 260
 GAL  A 404 (-4.0A)
GAL  A 404 (-4.1A)
GLC  A 405 (-2.7A)
GAL  A 404 (-3.7A)
GAL  A 404 ( 3.7A)
GLC  A 405 ( 2.8A)
GLC  A 405 (-4.3A)
 0.24A 6b8kA-3wv6A:
23.7		 6b8kA-3wv6A:
15.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 3wuc GALECTIN
(Xenopus
laevis) 		6 / 8 HIS A  47
ASN A  49
ARG A  51
ASN A  64
TRP A  71
GLU A  74
 GAL  A 202 ( 3.9A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
GAL  A 202 (-3.9A)
GAL  A 202 ( 3.7A)
GLC  A 201 (-2.8A)
 0.35A 6b94A-3wucA:
23.9		 6b94A-3wucA:
42.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 3wud GALECTIN
(Xenopus
laevis) 		8 / 8 HIS A  45
ASN A  47
ARG A  49
HIS A  52
ASN A  62
TRP A  69
GLU A  72
ARG A  74
 GAL  A 202 (-3.8A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
SO4  A 203 (-3.9A)
GAL  A 202 (-3.9A)
GAL  A 202 (-3.9A)
GLC  A 201 (-2.7A)
GLC  A 201 (-4.0A)
 1.00A 6b94A-3wudA:
25.3		 6b94A-3wudA:
60.00
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.
6B94_A_W9TA201_0
(GALECTIN-1)		 3wv6 GALECTIN-9
(Homo
sapiens) 		7 / 8 HIS A 235
ASN A 237
ARG A 239
ASN A 248
TRP A 255
GLU A 258
ARG A 260
 GAL  A 404 (-4.0A)
GAL  A 404 (-4.1A)
GLC  A 405 (-2.7A)
GAL  A 404 (-3.7A)
GAL  A 404 ( 3.7A)
GLC  A 405 ( 2.8A)
GLC  A 405 (-4.3A)
 0.54A 6b94A-3wv6A:
19.4		 6b94A-3wv6A:
12.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_B_W9TB201_0
(GALECTIN-1)		 3wuc GALECTIN
(Xenopus
laevis) 		7 / 10 HIS A  47
ASN A  49
ARG A  51
ASP A  57
ASN A  64
TRP A  71
GLU A  74
 GAL  A 202 ( 3.9A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
None
GAL  A 202 (-3.9A)
GAL  A 202 ( 3.7A)
GLC  A 201 (-2.8A)
 0.42A 6b94A-3wucA:
23.9
6b94B-3wucA:
23.9		 6b94A-3wucA:
42.35
6b94B-3wucA:
42.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_B_W9TB201_0
(GALECTIN-1)		 3wud GALECTIN
(Xenopus
laevis) 		9 / 10 HIS A  45
ASN A  47
ARG A  49
HIS A  52
ASP A  55
ASN A  62
TRP A  69
GLU A  72
ARG A  74
 GAL  A 202 (-3.8A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
SO4  A 203 (-3.9A)
None
GAL  A 202 (-3.9A)
GAL  A 202 (-3.9A)
GLC  A 201 (-2.7A)
GLC  A 201 (-4.0A)
 1.00A 6b94A-3wudA:
25.3
6b94B-3wudA:
24.9		 6b94A-3wudA:
60.00
6b94B-3wudA:
60.00
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.
6B94_B_W9TB201_0
(GALECTIN-1)		 3wv6 GALECTIN-9
(Homo
sapiens) 		7 / 10 HIS A 235
ASN A 237
ARG A 239
ASN A 248
TRP A 255
GLU A 258
ARG A 260
 GAL  A 404 (-4.0A)
GAL  A 404 (-4.1A)
GLC  A 405 (-2.7A)
GAL  A 404 (-3.7A)
GAL  A 404 ( 3.7A)
GLC  A 405 ( 2.8A)
GLC  A 405 (-4.3A)
 0.44A 6b94A-3wv6A:
19.4
6b94B-3wv6A:
19.1		 6b94A-3wv6A:
12.93
6b94B-3wv6A:
12.93
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.
6BAA_E_GBME2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		3 / 3 LEU A 145
THR A  31
ASN A  32
 None
None
GLC  A1457 ( 3.5A)
 0.71A 6baaE-1ua4A:
undetectable		 6baaE-1ua4A:
15.14
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.
6BAA_F_GBMF2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		3 / 3 LEU A 145
THR A  31
ASN A  32
 None
None
GLC  A1457 ( 3.5A)
 0.71A 6baaF-1ua4A:
1.9		 6baaF-1ua4A:
15.14
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.
6BAA_G_GBMG2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		3 / 3 LEU A 145
THR A  31
ASN A  32
 None
None
GLC  A1457 ( 3.5A)
 0.72A 6baaG-1ua4A:
2.0		 6baaG-1ua4A:
15.14
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.
6BAA_H_GBMH2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		3 / 3 LEU A 145
THR A  31
ASN A  32
 None
None
GLC  A1457 ( 3.5A)
 0.72A 6baaH-1ua4A:
undetectable		 6baaH-1ua4A:
15.14
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.
6BKL_G_EU7G101_0
(MATRIX PROTEIN 2)		 6elc VARIANT SURFACE
GLYCOPROTEIN
(Trypanosoma
brucei) 		5 / 9 ALA A 311
GLY A 313
ALA A 318
SER A 317
GLY A 316
 None
None
GLC  A 605 (-4.2A)
GLC  A 605 (-1.4A)
None
 1.17A 6bklE-6elcA:
undetectable
6bklF-6elcA:
undetectable
6bklG-6elcA:
undetectable
6bklH-6elcA:
undetectable		 6bklE-6elcA:
undetectable
6bklF-6elcA:
undetectable
6bklG-6elcA:
undetectable
6bklH-6elcA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BRD_B_RFPB502_1
(RIFAMPIN
MONOOXYGENASE)		 1bdg HEXOKINASE
(Schistosoma
mansoni) 		5 / 12 GLY A 179
VAL A 180
PHE A 154
THR A 172
GLY A 174
 None
None
None
GLC  A 501 (-2.7A)
None
 1.21A 6brdB-1bdgA:
0.0		 6brdB-1bdgA:
10.94
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.
6BRD_B_RFPB502_1
(RIFAMPIN
MONOOXYGENASE)		 2nzt HEXOKINASE-2
(Homo
sapiens) 		5 / 12 GLY A 179
VAL A 180
PHE A 154
THR A 172
GLY A 174
 None
None
None
GLC  A1001 (-2.7A)
None
 1.12A 6brdB-2nztA:
undetectable		 6brdB-2nztA:
7.64
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.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		5 / 12 ARG A 614
TRP A 627
ASP A 630
PHE A 663
HIS A 689
 GLC  A1116 (-2.8A)
GLC  A1117 (-4.6A)
GLC  A1117 (-2.7A)
GLC  A1116 (-4.6A)
GLC  A1117 (-4.1A)
 0.60A 6c9zA-5f7uA:
13.9		 6c9zA-5f7uA:
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.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5x3j GLYCOSIDE HYDROLASE
FAMILY 31
(Kribbella
flavida) 		5 / 12 ARG A 500
TRP A 513
ASP A 516
PHE A 549
HIS A 575
 GLC  A 819 ( 2.9A)
GLC  A 822 ( 4.6A)
GLC  A 822 ( 2.8A)
GLC  A 822 ( 4.8A)
GLC  A 822 ( 4.0A)
 0.54A 6c9zA-5x3jA:
30.2		 6c9zA-5x3jA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		5 / 12 ARG A 614
TRP A 627
ASP A 630
PHE A 663
HIS A 689
 GLC  A1116 (-2.8A)
GLC  A1117 (-4.6A)
GLC  A1117 (-2.7A)
GLC  A1116 (-4.6A)
GLC  A1117 (-4.1A)
 0.64A 6ca1A-5f7uA:
32.3		 6ca1A-5f7uA:
6.14
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.
6CA1_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5x3j GLYCOSIDE HYDROLASE
FAMILY 31
(Kribbella
flavida) 		5 / 12 ARG A 500
TRP A 513
ASP A 516
PHE A 549
HIS A 575
 GLC  A 819 ( 2.9A)
GLC  A 822 ( 4.6A)
GLC  A 822 ( 2.8A)
GLC  A 822 ( 4.8A)
GLC  A 822 ( 4.0A)
 0.57A 6ca1A-5x3jA:
30.5		 6ca1A-5x3jA:
16.84
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.
6CA1_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		5 / 12 ARG A 614
TRP A 627
ASP A 630
PHE A 663
HIS A 689
 GLC  A1116 (-2.8A)
GLC  A1117 (-4.6A)
GLC  A1117 (-2.7A)
GLC  A1116 (-4.6A)
GLC  A1117 (-4.1A)
 0.65A 6ca1B-5f7uA:
33.3		 6ca1B-5f7uA:
6.14
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.
6CA1_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5x3j GLYCOSIDE HYDROLASE
FAMILY 31
(Kribbella
flavida) 		5 / 12 ARG A 500
TRP A 513
ASP A 516
PHE A 549
HIS A 575
 GLC  A 819 ( 2.9A)
GLC  A 822 ( 4.6A)
GLC  A 822 ( 2.8A)
GLC  A 822 ( 4.8A)
GLC  A 822 ( 4.0A)
 0.59A 6ca1B-5x3jA:
30.4		 6ca1B-5x3jA:
16.84
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.
6CA3_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		5 / 12 ARG A 614
TRP A 627
ASP A 630
PHE A 663
HIS A 689
 GLC  A1116 (-2.8A)
GLC  A1117 (-4.6A)
GLC  A1117 (-2.7A)
GLC  A1116 (-4.6A)
GLC  A1117 (-4.1A)
 0.66A 6ca3A-5f7uA:
32.6		 6ca3A-5f7uA:
6.14
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.
6CA3_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5x3j GLYCOSIDE HYDROLASE
FAMILY 31
(Kribbella
flavida) 		5 / 12 ARG A 500
TRP A 513
ASP A 516
PHE A 549
HIS A 575
 GLC  A 819 ( 2.9A)
GLC  A 822 ( 4.6A)
GLC  A 822 ( 2.8A)
GLC  A 822 ( 4.8A)
GLC  A 822 ( 4.0A)
 0.60A 6ca3A-5x3jA:
31.4		 6ca3A-5x3jA:
16.84
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.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		5 / 12 ARG A 614
TRP A 627
ASP A 630
PHE A 663
HIS A 689
 GLC  A1116 (-2.8A)
GLC  A1117 (-4.6A)
GLC  A1117 (-2.7A)
GLC  A1116 (-4.6A)
GLC  A1117 (-4.1A)
 0.63A 6ca3B-5f7uA:
31.5		 6ca3B-5f7uA:
6.14
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.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5x3j GLYCOSIDE HYDROLASE
FAMILY 31
(Kribbella
flavida) 		5 / 12 ARG A 500
TRP A 513
ASP A 516
PHE A 549
HIS A 575
 GLC  A 819 ( 2.9A)
GLC  A 822 ( 4.6A)
GLC  A 822 ( 2.8A)
GLC  A 822 ( 4.8A)
GLC  A 822 ( 4.0A)
 0.57A 6ca3B-5x3jA:
30.4		 6ca3B-5x3jA:
16.84
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.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		 5awp ISOMALTODEXTRANASE
(Arthrobacter
globiformis) 		5 / 12 ASN A 214
PHE A 156
ASP A 197
ILE A  80
LEU A 165
 None
GLC  A 702 ( 4.9A)
BGC  A 701 (-3.0A)
GLC  A 702 (-4.1A)
None
 0.93A 6dwnC-5awpA:
undetectable		 6dwnC-5awpA:
8.70
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.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		 5awp ISOMALTODEXTRANASE
(Arthrobacter
globiformis) 		5 / 12 ASN A 214
PHE A 156
ASP A 197
ILE A  80
LEU A 165
 None
GLC  A 702 ( 4.9A)
BGC  A 701 (-3.0A)
GLC  A 702 (-4.1A)
None
 0.92A 6dwnD-5awpA:
undetectable		 6dwnD-5awpA:
8.70
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.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)		 3h1v GLUCOKINASE
(Homo
sapiens) 		4 / 7 ASP X 205
GLY X 295
GLY X 227
VAL X 412
 GLC  X 500 (-2.9A)
None
None
None
 0.97A 6ekzA-3h1vX:
undetectable		 6ekzA-3h1vX:
10.59
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.
6F6J_D_ACTD404_0
(L-LYSINE
3-HYDROXYLASE)		 2b3b GLUCOSE-BINDING
PROTEIN
(Thermus
thermophilus) 		4 / 6 GLN A 226
GLU A 165
TRP A 224
ALA A 227
 None
None
GLC  A2605 ( 4.5A)
None
 1.33A 6f6jC-2b3bA:
undetectable
6f6jD-2b3bA:
undetectable		 6f6jC-2b3bA:
23.04
6f6jD-2b3bA:
23.04
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.
6F7L_B_ACTB505_0
(AMINE OXIDASE LKCE)		 4bpz ENDO-1,3-BETA-GLUCAN
ASE, FAMILY GH16
(Zobellia
galactanivorans) 		3 / 3 HIS A 288
ASN A 299
LEU A 300
 GLC  A 401 ( 3.3A)
None
None
 0.88A 6f7lB-4bpzA:
undetectable		 6f7lB-4bpzA:
18.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FK2_A_SORA302_0
(GALECTIN-3)		 3wv6 GALECTIN-9
(Homo
sapiens) 		4 / 4 ARG A 239
GLU A 242
GLU A 258
ARG A 260
 GLC  A 405 (-2.7A)
GLC  A 405 ( 4.8A)
GLC  A 405 ( 2.8A)
GLC  A 405 (-4.3A)
 0.63A 6fk2A-3wv6A:
23.9		 6fk2A-3wv6A:
30.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FK2_A_SORA302_0
(GALECTIN-3)		 3wv6 GALECTIN-9
(Homo
sapiens) 		4 / 4 ARG A 260
GLU A 258
GLU A 242
ARG A 239
 GLC  A 405 (-4.3A)
GLC  A 405 ( 2.8A)
GLC  A 405 ( 4.8A)
GLC  A 405 (-2.7A)
 1.05A 6fk2A-3wv6A:
23.9		 6fk2A-3wv6A:
30.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GBN_B_ADNB501_1
(-)		 5ww1 PULULLANASE
(Paenibacillus
barengoltzii) 		5 / 12 ASP A 493
ASP A 302
LEU A 374
GLY A 401
PHE A 532
 GLC  A 701 ( 4.6A)
None
None
None
None
 1.49A 6gbnB-5ww1A:
undetectable		 6gbnB-5ww1A:
11.24
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.
6GIQ_T_PCFT101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		 5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q
(Leuconostoc
citreum) 		4 / 8 ASP A 204
TYR A 180
GLY A 215
VAL A 218
 None
GLC  A1507 (-3.8A)
None
None
 0.98A 6giqL-5ngyA:
undetectable
6giqP-5ngyA:
undetectable
6giqT-5ngyA:
undetectable		 6giqL-5ngyA:
17.24
6giqP-5ngyA:
10.84
6giqT-5ngyA:
4.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNE_A_ACRA602_1
(-)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		7 / 12 GLY A 113
GLY A 114
ASP A 307
VAL A 420
ASN A 449
ARG A 534
GLY A 640
 GLC  A 997 (-3.3A)
PLP  A 999 ( 3.6A)
GLC  A 997 (-3.6A)
None
GLC  A 998 (-3.3A)
GLC  A 996 (-4.1A)
PLP  A 999 ( 3.2A)
 0.70A 6gneA-1e4oA:
24.0		 6gneA-1e4oA:
23.13
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.
6GNE_A_ACRA602_1
(-)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		6 / 12 GLY A 181
GLY A 182
ASP A 383
VAL A 584
ASN A 613
GLY A 809
 PLP  A1002 ( 4.3A)
GLC  A1001 ( 3.7A)
None
None
GLC  A1001 (-3.8A)
GLC  A1001 ( 3.6A)
 0.71A 6gneA-5lrbA:
22.2		 6gneA-5lrbA:
19.63
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.
6GNE_A_ACRA602_1
(-)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		6 / 12 GLY A 182
ASP A 383
VAL A 584
ASN A 613
ARG A 699
GLY A 809
 GLC  A1001 ( 3.7A)
None
None
GLC  A1001 (-3.8A)
GLC  A1001 ( 4.9A)
GLC  A1001 ( 3.6A)
 0.94A 6gneA-5lrbA:
22.2		 6gneA-5lrbA:
19.63
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.
6GNE_B_ACRB602_1
(-)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		5 / 12 GLU A  67
GLY A 113
GLY A 114
ARG A 534
GLY A 642
 GLC  A 997 (-3.3A)
GLC  A 997 (-3.3A)
PLP  A 999 ( 3.6A)
GLC  A 996 (-4.1A)
PLP  A 999 (-3.4A)
 1.13A 6gneB-1e4oA:
23.8		 6gneB-1e4oA:
23.13
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.
6GNE_B_ACRB602_1
(-)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		8 / 12 GLU A  67
GLY A 113
GLY A 114
ASP A 307
VAL A 420
ASN A 449
ARG A 534
GLY A 640
 GLC  A 997 (-3.3A)
GLC  A 997 (-3.3A)
PLP  A 999 ( 3.6A)
GLC  A 997 (-3.6A)
None
GLC  A 998 (-3.3A)
GLC  A 996 (-4.1A)
PLP  A 999 ( 3.2A)
 0.73A 6gneB-1e4oA:
23.8		 6gneB-1e4oA:
23.13
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.
6GNE_B_ACRB602_1
(-)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		7 / 12 GLU A 135
GLY A 181
GLY A 182
ASP A 383
VAL A 584
ASN A 613
GLY A 809
 None
PLP  A1002 ( 4.3A)
GLC  A1001 ( 3.7A)
None
None
GLC  A1001 (-3.8A)
GLC  A1001 ( 3.6A)
 0.69A 6gneB-5lrbA:
22.0		 6gneB-5lrbA:
19.63
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.
6GNE_B_ACRB602_1
(-)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		7 / 12 GLU A 135
GLY A 182
ASP A 383
VAL A 584
ASN A 613
ARG A 699
GLY A 809
 None
GLC  A1001 ( 3.7A)
None
None
GLC  A1001 (-3.8A)
GLC  A1001 ( 4.9A)
GLC  A1001 ( 3.6A)
 0.89A 6gneB-5lrbA:
22.0		 6gneB-5lrbA:
19.63
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.
6GNF_A_QPSA602_1
(-)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		7 / 12 ASP A 259
ASP A 307
HIS A 309
ASN A 449
ARG A 534
GLU A 637
GLY A 640
 GLC  A 995 ( 4.4A)
GLC  A 997 (-3.6A)
GLC  A 996 (-4.0A)
GLC  A 998 (-3.3A)
GLC  A 996 (-4.1A)
GLC  A 998 (-3.6A)
PLP  A 999 ( 3.2A)
 0.80A 6gnfA-1e4oA:
24.1		 6gnfA-1e4oA:
22.03
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.
6GNF_A_QPSA602_1
(-)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		7 / 12 ASP A 332
ASP A 383
HIS A 385
ASN A 613
ARG A 699
GLU A 806
GLY A 809
 None
None
None
GLC  A1001 (-3.8A)
GLC  A1001 ( 4.9A)
GLC  A1001 (-3.4A)
GLC  A1001 ( 3.6A)
 0.95A 6gnfA-5lrbA:
22.9		 6gnfA-5lrbA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNF_A_QPSA602_2
(-)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		5 / 9 GLY A 113
GLY A 114
TYR A 256
HIS A 345
VAL A 420
 GLC  A 997 (-3.3A)
PLP  A 999 ( 3.6A)
GLC  A 996 (-3.8A)
GLC  A 998 (-4.3A)
None
 0.72A 6gnfA-1e4oA:
24.0		 6gnfA-1e4oA:
22.03
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.
6GNF_A_QPSA602_2
(-)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		5 / 9 GLY A 181
GLY A 182
TYR A 329
HIS A 421
VAL A 584
 PLP  A1002 ( 4.3A)
GLC  A1001 ( 3.7A)
None
GLC  A1001 (-3.7A)
None
 0.68A 6gnfA-5lrbA:
22.9		 6gnfA-5lrbA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNF_C_QPSC602_1
(-)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		5 / 10 GLY A 114
LEU A 115
TYR A 256
HIS A 345
VAL A 420
 PLP  A 999 ( 3.6A)
GLC  A 997 (-3.8A)
GLC  A 996 (-3.8A)
GLC  A 998 (-4.3A)
None
 0.66A 6gnfC-1e4oA:
23.9		 6gnfC-1e4oA:
22.03
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.
6GNF_C_QPSC602_1
(-)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		5 / 10 GLY A 182
LEU A 183
TYR A 329
HIS A 421
VAL A 584
 GLC  A1001 ( 3.7A)
GLC  A1001 (-4.3A)
None
GLC  A1001 (-3.7A)
None
 0.78A 6gnfC-5lrbA:
23.1		 6gnfC-5lrbA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNF_C_QPSC602_2
(-)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		7 / 12 ASP A 259
ASP A 307
HIS A 309
ASN A 449
ARG A 534
GLU A 637
GLY A 640
 GLC  A 995 ( 4.4A)
GLC  A 997 (-3.6A)
GLC  A 996 (-4.0A)
GLC  A 998 (-3.3A)
GLC  A 996 (-4.1A)
GLC  A 998 (-3.6A)
PLP  A 999 ( 3.2A)
 0.83A 6gnfC-1e4oA:
23.9		 6gnfC-1e4oA:
22.03
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.
6GNF_C_QPSC602_2
(-)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		7 / 12 ASP A 332
ASP A 383
HIS A 385
ASN A 613
ARG A 699
GLU A 806
GLY A 809
 None
None
None
GLC  A1001 (-3.8A)
GLC  A1001 ( 4.9A)
GLC  A1001 (-3.4A)
GLC  A1001 ( 3.6A)
 0.95A 6gnfC-5lrbA:
23.1		 6gnfC-5lrbA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 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_A_QPSA601_1
(-)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		5 / 12 GLY A 113
LEU A 115
ASP A 307
HIS A 309
ASN A 449
 GLC  A 997 (-3.3A)
GLC  A 997 (-3.8A)
GLC  A 997 (-3.6A)
GLC  A 996 (-4.0A)
GLC  A 998 (-3.3A)
 0.59A 6gngA-1e4oA:
23.1		 6gngA-1e4oA:
23.05
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.
6GNG_A_QPSA601_1
(-)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		5 / 12 GLY A 181
LEU A 183
ASP A 383
HIS A 385
ASN A 613
 PLP  A1002 ( 4.3A)
GLC  A1001 (-4.3A)
None
None
GLC  A1001 (-3.8A)
 0.79A 6gngA-5lrbA:
22.4		 6gngA-5lrbA:
21.31
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.
6GNG_A_QPSA601_1
(-)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		5 / 12 GLY A 181
LEU A 183
GLY A 331
ASP A 383
HIS A 385
 PLP  A1002 ( 4.3A)
GLC  A1001 (-4.3A)
None
None
None
 1.10A 6gngA-5lrbA:
22.4		 6gngA-5lrbA:
21.31
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.
6GNG_A_QPSA601_2
(-)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		7 / 12 GLU A  67
GLY A 114
HIS A 345
VAL A 420
ARG A 534
GLU A 637
GLY A 640
 GLC  A 997 (-3.3A)
PLP  A 999 ( 3.6A)
GLC  A 998 (-4.3A)
None
GLC  A 996 (-4.1A)
GLC  A 998 (-3.6A)
PLP  A 999 ( 3.2A)
 0.74A 6gngA-1e4oA:
23.1		 6gngA-1e4oA:
23.05
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.
6GNG_A_QPSA601_2
(-)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		7 / 12 GLU A  67
GLY A 114
TYR A 256
HIS A 345
VAL A 420
GLU A 637
GLY A 640
 GLC  A 997 (-3.3A)
PLP  A 999 ( 3.6A)
GLC  A 996 (-3.8A)
GLC  A 998 (-4.3A)
None
GLC  A 998 (-3.6A)
PLP  A 999 ( 3.2A)
 0.78A 6gngA-1e4oA:
23.1		 6gngA-1e4oA:
23.05
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.
6GNG_A_QPSA601_2
(-)		 2xd3 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN
(Streptococcus
pneumoniae) 		5 / 12 GLU A 342
TYR A  51
TRP A 308
PRO A  94
GLY A 303
 GLC  A1417 ( 4.7A)
GLC  A1417 (-4.9A)
None
None
None
 1.20A 6gngA-2xd3A:
undetectable		 6gngA-2xd3A:
26.55
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.
6GNG_A_QPSA601_2
(-)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		8 / 12 GLU A 135
GLY A 182
TYR A 329
HIS A 421
VAL A 584
ARG A 699
GLU A 806
GLY A 809
 None
GLC  A1001 ( 3.7A)
None
GLC  A1001 (-3.7A)
None
GLC  A1001 ( 4.9A)
GLC  A1001 (-3.4A)
GLC  A1001 ( 3.6A)
 0.90A 6gngA-5lrbA:
22.4		 6gngA-5lrbA:
21.31
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.
6GNG_B_QPSB601_1
(-)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		5 / 12 TYR A 256
HIS A 345
VAL A 420
GLU A 637
GLY A 640
 GLC  A 996 (-3.8A)
GLC  A 998 (-4.3A)
None
GLC  A 998 (-3.6A)
PLP  A 999 ( 3.2A)
 0.77A 6gngB-1e4oA:
23.3		 6gngB-1e4oA:
23.05
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.
6GNG_B_QPSB601_1
(-)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		5 / 12 TYR A 329
HIS A 421
VAL A 584
GLU A 806
GLY A 809
 None
GLC  A1001 (-3.7A)
None
GLC  A1001 (-3.4A)
GLC  A1001 ( 3.6A)
 0.83A 6gngB-5lrbA:
22.4		 6gngB-5lrbA:
21.31
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.
6GNG_B_QPSB601_2
(-)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		6 / 12 GLU A  67
GLY A 113
GLY A 114
LEU A 115
HIS A 309
ARG A 534
 GLC  A 997 (-3.3A)
GLC  A 997 (-3.3A)
PLP  A 999 ( 3.6A)
GLC  A 997 (-3.8A)
GLC  A 996 (-4.0A)
GLC  A 996 (-4.1A)
 0.65A 6gngB-1e4oA:
23.2		 6gngB-1e4oA:
23.05
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.
6GNG_B_QPSB601_2
(-)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		5 / 12 GLU A  67
GLY A 114
LEU A 115
HIS A 309
ARG A 534
 GLC  A 997 (-3.3A)
PLP  A 999 ( 3.6A)
GLC  A 997 (-3.8A)
GLC  A 996 (-4.0A)
GLC  A 996 (-4.1A)
 1.07A 6gngB-1e4oA:
23.2		 6gngB-1e4oA:
23.05
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.
6GNG_B_QPSB601_2
(-)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		6 / 12 GLU A 135
GLY A 181
GLY A 182
LEU A 183
GLY A 331
HIS A 385
 None
PLP  A1002 ( 4.3A)
GLC  A1001 ( 3.7A)
GLC  A1001 (-4.3A)
None
None
 1.18A 6gngB-5lrbA:
22.4		 6gngB-5lrbA:
21.31
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.
6GNG_B_QPSB601_2
(-)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		5 / 12 GLU A 135
GLY A 181
LEU A 183
GLY A 331
HIS A 385
 None
PLP  A1002 ( 4.3A)
GLC  A1001 (-4.3A)
None
None
 1.10A 6gngB-5lrbA:
22.4		 6gngB-5lrbA:
21.31
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.
6GNG_B_QPSB601_2
(-)		 5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE
(Hordeum
vulgare) 		5 / 12 GLU A 135
GLY A 182
LEU A 183
HIS A 385
ARG A 699
 None
GLC  A1001 ( 3.7A)
GLC  A1001 (-4.3A)
None
GLC  A1001 ( 4.9A)
 0.75A 6gngB-5lrbA:
22.4		 6gngB-5lrbA:
21.31
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.
6GNG_B_QPSB601_3
(-)		 1e4o MALTODEXTRIN
PHOSPHORYLASE
(Escherichia
coli) 		3 / 3 ASP A 259
ASP A 307
ASN A 449
 GLC  A 995 ( 4.4A)
GLC  A 997 (-3.6A)
GLC  A 998 (-3.3A)
 0.64A 6gngB-1e4oA:
23.2		 6gngB-1e4oA:
23.05
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.
6GTQ_A_ACTA204_0
(N-ACETYLTRANSFERASE)		 2b7y FAVIN BETA CHAIN
FAVIN ALPHA CHAIN
(Vicia
faba;
Vicia
faba) 		4 / 5 LEU A 102
THR B 209
THR A  97
GLY A  99
 None
None
None
GLC  A 801 (-3.2A)
 1.24A 6gtqA-2b7yA:
undetectable		 6gtqA-2b7yA:
23.12
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.
6GTQ_A_ACTA204_0
(N-ACETYLTRANSFERASE)		 2bqp PROTEIN (PEA LECTIN)
(Pisum
sativum) 		4 / 5 LEU A 101
THR A 214
THR A  96
GLY A  98
 None
None
None
GLC  A 337 ( 3.8A)
 1.21A 6gtqA-2bqpA:
undetectable		 6gtqA-2bqpA:
21.31
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.
6HD6_B_STIB601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		4 / 7 VAL A  70
ILE A  77
GLY A 111
ARG A 102
 None
None
GLC  A1457 ( 3.5A)
None
 0.85A 6hd6B-1ua4A:
undetectable		 6hd6B-1ua4A:
10.33
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.
6HQB_A_PQNA2001_0
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 2xd3 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN
(Streptococcus
pneumoniae) 		5 / 10 GLY A 227
ALA A 405
LEU A 223
GLY A 222
LEU A  78
 None
None
None
None
GLC  A1421 (-3.9A)
 1.44A 6hqbA-2xd3A:
undetectable
6hqbJ-2xd3A:
undetectable		 6hqbA-2xd3A:
10.86
6hqbJ-2xd3A:
6.97
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.
6HZP_A_FVTA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		 2his CELLULOMONAS FIMI
FAMILY 10
BETA-1,4-GLYCANASE
(Cellulomonas
fimi) 		4 / 8 VAL A 285
GLN A 203
ASN A 205
GLU A 233
 None
GLC  A 602 (-3.1A)
GLC  A 602 (-3.8A)
GLC  A 602 ( 1.9A)
 1.05A 6hzpA-2hisA:
undetectable		 6hzpA-2hisA:
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.
6J20_A_GBQA1201_1
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		4 / 7 ILE A  68
GLU A  82
VAL A  79
TRP A  71
 None
None
None
GLC  A1115 (-3.6A)
 1.04A 6j20A-5f7uA:
undetectable		 6j20A-5f7uA:
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.
6MD4_A_BRLA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		5 / 12 GLY A 571
GLN A 575
SER A 152
TYR A 581
ILE A 568
 None
None
None
GLC  A 819 (-4.2A)
None
 1.47A 6md4A-3wnpA:
undetectable		 6md4A-3wnpA:
8.14
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.
6MD4_A_BRLA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 5x7h CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Paenibacillus
sp.
598K) 		5 / 12 GLY A 572
GLN A 576
SER A 153
TYR A 582
ILE A 569
 None
GLC  A 820 ( 4.4A)
None
GLC  A 808 ( 4.2A)
None
 1.44A 6md4A-5x7hA:
undetectable		 6md4A-5x7hA:
8.76
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.
6MN4_C_AM2C301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		4 / 8 HIS A 988
HIS A 594
ASP A 895
GLU A 807
 None
None
GLC  A2150 ( 4.3A)
GLC  A2150 ( 4.5A)
 1.12A 6mn4C-2ya1A:
undetectable		 6mn4C-2ya1A:
13.78
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.
6MN4_E_AM2E301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		4 / 7 TRP A 230
HIS A  95
ARG A 239
ASP A 140
 None
None
GLC  A 703 (-2.9A)
None
 1.29A 6mn4E-4hozA:
undetectable		 6mn4E-4hozA:
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.
6MN4_E_AM2E301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1
(Ochrobactrum
anthropi) 		4 / 7 TRP A 272
HIS A 380
THR A 198
HIS A  37
 GLC  A 501 (-3.5A)
GLC  A 501 (-3.7A)
None
None
 1.05A 6mn4E-4r2bA:
undetectable		 6mn4E-4r2bA:
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		4 / 7 TYR A  16
GLU A 338
ASP A 333
GLU A 266
 None
None
GLC  A 605 (-3.5A)
None
 1.12A 6mn5B-2d3lA:
undetectable		 6mn5B-2d3lA:
12.34
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.
6MN5_C_LLLC301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		4 / 6 TYR A  16
GLU A 338
ASP A 333
GLU A 266
 None
None
GLC  A 605 (-3.5A)
None
 1.11A 6mn5C-2d3lA:
undetectable		 6mn5C-2d3lA:
12.34
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.
6N7F_A_RBFA502_0
(PUTATIVE GLUTATHIONE
REDUCTASE (GR))		 2xd3 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN
(Streptococcus
pneumoniae) 		4 / 7 GLY A 286
TYR A 152
ASN A 341
GLU A 342
 None
None
None
GLC  A1417 ( 4.7A)
 0.81A 6n7fA-2xd3A:
undetectable		 6n7fA-2xd3A:
11.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N7F_A_RBFA502_0
(PUTATIVE GLUTATHIONE
REDUCTASE (GR))		 4hoz SUCROSE ISOMERASE
(Erwinia
rhapontici) 		4 / 7 GLY A  70
HIS A 368
ASN A  93
GLY A 104
 CA  A 701 ( 4.7A)
GLC  A 703 (-4.0A)
None
None
 0.91A 6n7fA-4hozA:
undetectable		 6n7fA-4hozA:
9.49
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.
9NSE_A_H4BA600_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 VAL A 537
ARG A 555
PHE A 615
GLU A 549
 None
GLC  A1008 (-3.1A)
None
None
 1.40A 9nseA-4okdA:
undetectable
9nseB-4okdA:
0.0		 9nseA-4okdA:
20.26
9nseB-4okdA:
20.26