SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'ACY'


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.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 3we7 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0499
(Pyrococcus
horikoshii) 		5 / 12 HIS A  44
PHE A 224
HIS A 155
ASP A  47
ASP A  46
 ZN  A 301 (-3.2A)
None
ZN  A 301 ( 3.3A)
ZN  A 301 ( 2.1A)
ACY  A 303 (-3.0A)
 1.11A 1a4lA-3we7A:
2.0		 1a4lA-3we7A:
22.01
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.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 3we7 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0499
(Pyrococcus
horikoshii) 		5 / 12 HIS A  44
PHE A 224
HIS A 155
ASP A  47
ASP A  46
 ZN  A 301 (-3.2A)
None
ZN  A 301 ( 3.3A)
ZN  A 301 ( 2.1A)
ACY  A 303 (-3.0A)
 1.06A 1a4lC-3we7A:
undetectable		 1a4lC-3we7A:
22.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AM6_A_HAEA555_1
(CARBONIC ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 7 HIS A 115
HIS A 117
HIS A 135
LEU A 216
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.29A 1am6A-1y7wA:
26.1		 1am6A-1y7wA:
31.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AM6_A_HAEA555_1
(CARBONIC ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 7 HIS A 115
HIS A 135
LEU A 216
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 1.50A 1am6A-1y7wA:
26.1		 1am6A-1y7wA:
31.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AZM_A_AZMA262_1
(CARBONIC ANHYDRASE I)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 8 HIS A 115
HIS A 117
HIS A 135
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.17A 1azmA-1y7wA:
25.3		 1azmA-1y7wA:
30.94
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.
1BX4_A_ADNA350_2
(PROTEIN (ADENOSINE
KINASE))		 4jvs PUTATIVE
UNCHARACTERIZED
PROTEIN
(Legionella
drancourtii) 		3 / 3 LEU A 576
SER A 542
ASN A 569
 ACY  A 701 ( 4.5A)
None
None
 0.80A 1bx4A-4jvsA:
undetectable		 1bx4A-4jvsA:
21.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BX4_A_ADNA355_1
(PROTEIN (ADENOSINE
KINASE))		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		7 / 12 THR A 278
GLY A 280
VAL A 302
ALA A 316
GLY A 317
ALA A 345
ILE A 349
 None
None
None
ACY  A 370 (-4.0A)
ACY  A 370 (-3.5A)
None
None
 0.62A 1bx4A-1dgmA:
42.6		 1bx4A-1dgmA:
32.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BX4_A_ADNA355_1
(PROTEIN (ADENOSINE
KINASE))		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		5 / 12 THR A 278
ILE A 310
GLY A 315
ALA A 345
ILE A 349
 None
None
ACY  A 370 (-3.1A)
None
None
 0.95A 1bx4A-1dgmA:
42.6		 1bx4A-1dgmA:
32.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BX4_A_ADNA355_1
(PROTEIN (ADENOSINE
KINASE))		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		7 / 12 THR A 278
VAL A 302
ILE A 310
ALA A 316
GLY A 317
ALA A 345
ILE A 349
 None
None
None
ACY  A 370 (-4.0A)
ACY  A 370 (-3.5A)
None
None
 0.82A 1bx4A-1dgmA:
42.6		 1bx4A-1dgmA:
32.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BZM_A_MZMA262_1
(CARBONIC ANHYDRASE I)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 8 HIS A 115
HIS A 117
HIS A 135
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.19A 1bzmA-1y7wA:
25.3		 1bzmA-1y7wA:
30.94
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.
1C4D_B_DVAB8_0
(GRAMICIDIN A)		 2hu9 MERCURIC TRANSPORT
PROTEIN PERIPLASMIC
COMPONENT
(Archaeoglobus
fulgidus) 		3 / 3 TRP A 121
VAL A 110
TRP A  12
 ACY  A 301 (-4.9A)
None
None
 1.00A 1c4dA-2hu9A:
undetectable
1c4dB-2hu9A:
undetectable		 1c4dA-2hu9A:
9.82
1c4dB-2hu9A:
9.82
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.
1C8L_A_CFFA940_1
(PROTEIN (GLYCOGEN
PHOSPHORYLASE))		 2cb9 FENGYCIN SYNTHETASE
(Bacillus
subtilis) 		4 / 6 HIS A 201
ALA A 112
GLY A  82
TYR A  83
 ACY  A1225 (-3.9A)
None
None
None
 1.08A 1c8lA-2cb9A:
6.0		 1c8lA-2cb9A:
15.25
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.
1CBR_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE I)		 2g7g RHA04620, PUTATIVE
TRANSCRIPTIONAL
REGULATOR
(Rhodococcus
jostii) 		5 / 12 ALA A 174
ALA A 173
THR A 164
THR A 169
ARG A 170
 None
None
ACY  A 302 (-3.5A)
None
None
 1.27A 1cbrA-2g7gA:
undetectable		 1cbrA-2g7gA:
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.
1CBR_B_REAB200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE I)		 2g7g RHA04620, PUTATIVE
TRANSCRIPTIONAL
REGULATOR
(Rhodococcus
jostii) 		5 / 12 ALA A 174
ALA A 173
THR A 164
THR A 169
ARG A 170
 None
None
ACY  A 302 (-3.5A)
None
None
 1.27A 1cbrB-2g7gA:
undetectable		 1cbrB-2g7gA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CIL_A_ETSA263_1
(CARBONIC ANHYDRASE
II)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 12 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.21A 1cilA-1y7wA:
26.1		 1cilA-1y7wA:
31.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CIL_A_ETSA263_1
(CARBONIC ANHYDRASE
II)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 12 HIS A 115
HIS A 135
LEU A 216
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 1.50A 1cilA-1y7wA:
26.1		 1cilA-1y7wA:
31.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CIL_A_ETSA263_1
(CARBONIC ANHYDRASE
II)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 12 HIS A 117
VAL A 137
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.96A 1cilA-1y7wA:
26.1		 1cilA-1y7wA:
31.94
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.
1CQP_A_803A311_1
(ANTIGEN CD11A (P180))		 3dew TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY
(Geobacter
sulfurreducens) 		5 / 10 LEU A 128
VAL A 124
ILE A  70
LEU A  85
VAL A 158
 None
ACY  A 209 ( 4.7A)
None
None
None
 1.16A 1cqpA-3dewA:
undetectable
1cqpB-3dewA:
undetectable		 1cqpA-3dewA:
21.33
1cqpB-3dewA:
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.
1D4F_C_ADNC603_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 2gvk HEME PEROXIDASE
(Bacteroides
thetaiotaomicron) 		4 / 5 THR A 235
THR A 260
HIS A 194
LEU A 292
 None
ACY  A 327 ( 3.9A)
ACY  A 327 (-4.4A)
None
 1.16A 1d4fC-2gvkA:
undetectable		 1d4fC-2gvkA:
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.
1DDR_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 4jvs PUTATIVE
UNCHARACTERIZED
PROTEIN
(Legionella
drancourtii) 		5 / 12 ALA A 421
LEU A 560
ILE A 547
LEU A 576
TYR A 451
 None
None
ACY  A 701 (-4.4A)
ACY  A 701 ( 4.5A)
None
 1.00A 1ddrB-4jvsA:
undetectable		 1ddrB-4jvsA:
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.
1DMY_A_AZMA400_1
(MURINE CARBONIC
ANHYDRASE V)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 11 HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 151
LEU A 216
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.29A 1dmyA-1y7wA:
23.5		 1dmyA-1y7wA:
26.84
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.
1DMY_A_AZMA400_1
(MURINE CARBONIC
ANHYDRASE V)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 HIS A 135
HIS A 115
HIS A 117
TYR A 212
THR A 218
 ZN  A 283 ( 3.1A)
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
None
ACY  A 279 ( 4.9A)
 1.18A 1dmyA-1y7wA:
23.5		 1dmyA-1y7wA:
26.84
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.
1DMY_B_AZMB900_1
(MURINE CARBONIC
ANHYDRASE V)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 12 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.28A 1dmyB-1y7wA:
23.5		 1dmyB-1y7wA:
26.84
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.
1DMY_B_AZMB900_1
(MURINE CARBONIC
ANHYDRASE V)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 12 HIS A 115
VAL A 225
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
None
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 1.28A 1dmyB-1y7wA:
23.5		 1dmyB-1y7wA:
26.84
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.
1DMY_B_AZMB900_1
(MURINE CARBONIC
ANHYDRASE V)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 12 HIS A 117
VAL A 137
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.77A 1dmyB-1y7wA:
23.5		 1dmyB-1y7wA:
26.84
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.
1DMY_B_AZMB900_1
(MURINE CARBONIC
ANHYDRASE V)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 12 HIS A 135
HIS A 115
HIS A 117
TYR A 212
THR A 218
 ZN  A 283 ( 3.1A)
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
None
ACY  A 279 ( 4.9A)
 1.16A 1dmyB-1y7wA:
23.5		 1dmyB-1y7wA:
26.84
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.
1DVX_B_DIFB125_2
(TRANSTHYRETIN)		 3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT
ACETYL-COA
DECARBOXYLASE/SYNTHA
SE EPSILON SUBUNIT
(Methanosarcina
barkeri) 		4 / 7 ALA G 127
LEU G 125
THR A  70
VAL A  68
 ACY  A 821 (-3.6A)
PEG  G 173 ( 4.0A)
None
ACY  A 821 ( 4.3A)
 0.62A 1dvxB-3cf4G:
undetectable		 1dvxB-3cf4G:
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.
1E9Y_B_HAEB800_1
(UREASE SUBUNIT BETA)		 3gip N-ACYL-D-GLUTAMATE
DEACYLASE
(Bordetella
bronchiseptica) 		4 / 5 HIS A  66
HIS A 218
HIS A 248
ASP A 365
 ACY  A 481 ( 4.9A)
ZN  A 484 ( 3.0A)
ZN  A 484 (-3.3A)
ACY  A 481 ( 2.5A)
 0.57A 1e9yB-3gipA:
19.3		 1e9yB-3gipA:
22.90
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		 2p18 GLYOXALASE II
(Leishmania
infantum) 		4 / 8 ASP A 109
PHE A 175
THR A 140
HIS A  78
 None
ACY  A1022 (-4.9A)
None
ZN  A 302 ( 3.2A)
 1.01A 1ei6C-2p18A:
undetectable		 1ei6C-2p18A:
21.86
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.
1EKJ_C_ACTC3004_0
(BETA-CARBONIC
ANHYDRASE)		 1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE
(Klebsiella
aerogenes) 		4 / 6 GLN A 121
TYR A 223
VAL A 213
GLY A 216
 None
None
ACY  A1402 (-4.0A)
None
 1.06A 1ekjC-1zkjA:
undetectable
1ekjD-1zkjA:
undetectable		 1ekjC-1zkjA:
21.11
1ekjD-1zkjA:
21.11
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.
1EKJ_C_ACTC3007_0
(BETA-CARBONIC
ANHYDRASE)		 1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE
(Klebsiella
aerogenes) 		4 / 6 VAL A 213
GLY A 216
GLN A 121
TYR A 223
 ACY  A1402 (-4.0A)
None
None
None
 1.13A 1ekjC-1zkjA:
undetectable
1ekjD-1zkjA:
undetectable		 1ekjC-1zkjA:
21.11
1ekjD-1zkjA:
21.11
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.
1F9G_A_ASCA950_0
(HYALURONATE LYASE)		 1l5x SURVIVAL PROTEIN E
(Pyrobaculum
aerophilum) 		4 / 7 ARG A 174
ASN A  93
TYR A 192
ASN A  97
 ACY  A 402 (-4.8A)
None
None
None
 1.29A 1f9gA-1l5xA:
undetectable		 1f9gA-1l5xA:
16.83
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.
1FWE_C_HAEC989_1
(UREASE)		 3gip N-ACYL-D-GLUTAMATE
DEACYLASE
(Bordetella
bronchiseptica) 		5 / 6 HIS A  66
HIS A  68
HIS A 218
HIS A 248
ASP A 365
 ACY  A 481 ( 4.9A)
ACY  A 481 (-4.8A)
ZN  A 484 ( 3.0A)
ZN  A 484 (-3.3A)
ACY  A 481 ( 2.5A)
 0.64A 1fweC-3gipA:
16.9		 1fweC-3gipA:
26.21
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.
1GFZ_A_CFFA940_1
(GLYCOGEN
PHOSPHORYLASE)		 2cb9 FENGYCIN SYNTHETASE
(Bacillus
subtilis) 		4 / 6 HIS A 201
ALA A 112
GLY A  82
TYR A  83
 ACY  A1225 (-3.9A)
None
None
None
 1.09A 1gfzA-2cb9A:
6.0		 1gfzA-2cb9A:
15.25
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.
1GTN_O_TRPO81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 5xd7 3,6-ANHYDRO-ALPHA-L-
GALACTONATE
CYCLOISOMERASE
(Vibrio
sp.
EJY3) 		5 / 10 HIS A 306
ALA A 287
HIS A 300
THR A 299
ALA A 286
 None
None
ACY  A 403 (-4.1A)
None
None
 1.17A 1gtnO-5xd7A:
undetectable
1gtnP-5xd7A:
undetectable		 1gtnO-5xd7A:
11.52
1gtnP-5xd7A:
11.52
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.
1GTN_U_TRPU81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 5xd7 3,6-ANHYDRO-ALPHA-L-
GALACTONATE
CYCLOISOMERASE
(Vibrio
sp.
EJY3) 		5 / 10 HIS A 306
ALA A 287
HIS A 300
THR A 299
ALA A 286
 None
None
ACY  A 403 (-4.1A)
None
None
 1.19A 1gtnU-5xd7A:
undetectable
1gtnV-5xd7A:
undetectable		 1gtnU-5xd7A:
11.52
1gtnV-5xd7A:
11.52
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.
1GX8_A_RTLA1163_0
(BETA-LACTOGLOBULIN)		 1dd5 RIBOSOME RECYCLING
FACTOR
(Thermotoga
maritima) 		5 / 9 LEU A 163
LEU A 136
GLU A   8
ILE A 139
GLN A 161
 None
ACY  A 280 ( 4.7A)
None
None
None
 1.47A 1gx8A-1dd5A:
undetectable		 1gx8A-1dd5A:
23.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GXS_A_BEZA601_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		4 / 7 GLY A  52
PRO A  54
ASP A 112
HIS A 150
 ACY  A 460 (-4.0A)
None
None
None
 0.41A 1gxsA-1whsA:
31.8
1gxsB-1whsA:
undetectable		 1gxsA-1whsA:
55.89
1gxsB-1whsA:
17.70
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.
1HBP_A_RTLA184_0
(RETINOL BINDING
PROTEIN)		 2qc3 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Mycobacterium
tuberculosis) 		5 / 11 LEU A 112
ALA A 190
ALA A 121
MET A 120
LEU A 244
 None
None
None
ACY  A 500 ( 4.4A)
None
 1.33A 1hbpA-2qc3A:
undetectable		 1hbpA-2qc3A:
21.74
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.
1HWI_C_115C4_2
(HMG-COA REDUCTASE)		 1jed SULFATE
ADENYLYLTRANSFERASE
(Saccharomyces
cerevisiae) 		4 / 8 GLU A 490
LEU A 411
ALA A 414
LEU A 415
 ACY  A 553 (-3.5A)
None
None
None
 0.87A 1hwiD-1jedA:
undetectable		 1hwiD-1jedA:
21.28
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.
1IIU_A_RTLA176_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 2qc3 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Mycobacterium
tuberculosis) 		5 / 11 LEU A 112
ALA A 190
ALA A 121
MET A 120
LEU A 244
 None
None
None
ACY  A 500 ( 4.4A)
None
 1.32A 1iiuA-2qc3A:
undetectable		 1iiuA-2qc3A:
21.68
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.
1JD0_A_AZMA1400_1
(CARBONIC ANHYDRASE
XII)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 9 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.38A 1jd0A-1y7wA:
24.7		 1jd0A-1y7wA:
29.02
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.
1JD0_A_AZMA1400_1
(CARBONIC ANHYDRASE
XII)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 9 HIS A 115
HIS A 135
LEU A 216
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 1.50A 1jd0A-1y7wA:
24.7		 1jd0A-1y7wA:
29.02
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.
1JD0_A_AZMA1400_1
(CARBONIC ANHYDRASE
XII)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 9 HIS A 117
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.90A 1jd0A-1y7wA:
24.7		 1jd0A-1y7wA:
29.02
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.
1JD0_B_AZMB2401_1
(CARBONIC ANHYDRASE
XII)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 11 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
VAL A 153
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
 1.47A 1jd0B-1y7wA:
24.5		 1jd0B-1y7wA:
29.02
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.
1JD0_B_AZMB2401_1
(CARBONIC ANHYDRASE
XII)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.37A 1jd0B-1y7wA:
24.5		 1jd0B-1y7wA:
29.02
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.
1JNO_A_DVAA6_0
(GRAMICIDIN A)		 1z72 TRANSCRIPTIONAL
REGULATOR, PUTATIVE
(Streptococcus
pneumoniae) 		3 / 3 ALA A 145
VAL A 209
TRP A  25
 ACY  A 801 ( 4.6A)
None
None
 0.93A 1jnoA-1z72A:
undetectable		 1jnoA-1z72A:
7.05
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.
1JNO_B_DVAB6_0
(GRAMICIDIN A)		 1z72 TRANSCRIPTIONAL
REGULATOR, PUTATIVE
(Streptococcus
pneumoniae) 		3 / 3 ALA A 145
VAL A 209
TRP A  25
 ACY  A 801 ( 4.6A)
None
None
 0.93A 1jnoB-1z72A:
undetectable		 1jnoB-1z72A:
7.05
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		 1c0n PROTEIN (CSDB
PROTEIN)
(Escherichia
coli) 		4 / 7 SER A 381
ALA A 383
TYR A 385
ALA A  30
 None
None
None
ACY  A 550 ( 4.9A)
 0.89A 1k5qA-1c0nA:
0.2
1k5qB-1c0nA:
undetectable		 1k5qA-1c0nA:
20.35
1k5qB-1c0nA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7F_A_BCZA801_1
(NEURAMINIDASE)		 3ag6 PANTOTHENATE
SYNTHETASE
(Staphylococcus
aureus) 		3 / 3 ARG A 188
ARG A  74
ARG A 122
 ACY  A 801 (-3.2A)
None
ACY  A 801 (-3.2A)
 0.85A 1l7fA-3ag6A:
undetectable		 1l7fA-3ag6A:
19.61
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.
1L7H_A_BCZA801_1
(NEURAMINIDASE)		 3ag6 PANTOTHENATE
SYNTHETASE
(Staphylococcus
aureus) 		3 / 3 ARG A 188
ARG A  74
ARG A 122
 ACY  A 801 (-3.2A)
None
ACY  A 801 (-3.2A)
 0.87A 1l7hA-3ag6A:
undetectable		 1l7hA-3ag6A:
19.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LIK_A_ADNA799_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		8 / 10 THR A 278
GLY A 280
VAL A 284
VAL A 302
ALA A 316
ASN A 342
ALA A 345
ILE A 349
 None
None
None
None
ACY  A 370 (-4.0A)
None
None
None
 0.58A 1likA-1dgmA:
48.5		 1likA-1dgmA:
98.07
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		 3u37 ACETYL-XYLAN
ESTERASE EST2A
(Butyrivibrio
proteoclasticus) 		4 / 8 GLY A 188
GLU A 147
SER A 142
HIS A 351
 ACY  A 401 (-3.7A)
None
ACY  A 401 (-2.8A)
ACY  A 401 (-4.4A)
 1.08A 1maaD-3u37A:
2.6		 1maaD-3u37A:
22.36
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.
1MAG_A_DVAA6_0
(GRAMICIDIN A)		 1z72 TRANSCRIPTIONAL
REGULATOR, PUTATIVE
(Streptococcus
pneumoniae) 		3 / 3 ALA A 145
VAL A 209
TRP A  25
 ACY  A 801 ( 4.6A)
None
None
 0.92A 1magA-1z72A:
undetectable		 1magA-1z72A:
7.05
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.
1MAG_B_DVAB6_0
(GRAMICIDIN A)		 1z72 TRANSCRIPTIONAL
REGULATOR, PUTATIVE
(Streptococcus
pneumoniae) 		3 / 3 ALA A 145
VAL A 209
TRP A  25
 ACY  A 801 ( 4.6A)
None
None
 0.92A 1magB-1z72A:
undetectable		 1magB-1z72A:
7.05
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.
1MT1_G_AG2G7003_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)
(Rhodobacter
sphaeroides) 		5 / 6 LEU A 129
ASP A 126
LEU A 122
GLY A 116
ARG A  11
 None
None
None
ACY  A 250 (-4.5A)
None
 1.35A 1mt1G-3onpA:
undetectable
1mt1J-3onpA:
undetectable		 1mt1G-3onpA:
12.18
1mt1J-3onpA:
19.68
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.
1MT1_K_AG2K7002_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)
(Rhodobacter
sphaeroides) 		5 / 7 ARG A  11
LEU A 129
ASP A 126
LEU A 122
GLY A 116
 None
None
None
None
ACY  A 250 (-4.5A)
 1.36A 1mt1H-3onpA:
undetectable
1mt1K-3onpA:
undetectable		 1mt1H-3onpA:
19.68
1mt1K-3onpA:
12.18
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.
1N13_D_AG2D7015_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)
(Rhodobacter
sphaeroides) 		5 / 7 ARG A  11
LEU A 129
ASP A 126
LEU A 122
GLY A 116
 None
None
None
None
ACY  A 250 (-4.5A)
 1.40A 1n13D-3onpA:
undetectable
1n13E-3onpA:
undetectable		 1n13D-3onpA:
19.68
1n13E-3onpA:
12.18
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.
1N13_F_AG2F7016_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)
(Rhodobacter
sphaeroides) 		5 / 8 LEU A 129
ASP A 126
LEU A 122
GLY A 116
ARG A  11
 None
None
None
ACY  A 250 (-4.5A)
None
 1.40A 1n13A-3onpA:
undetectable
1n13F-3onpA:
undetectable		 1n13A-3onpA:
12.18
1n13F-3onpA:
19.68
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.
1N13_H_AG2H7012_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)
(Rhodobacter
sphaeroides) 		5 / 6 ARG A  11
LEU A 129
ASP A 126
LEU A 122
GLY A 116
 None
None
None
None
ACY  A 250 (-4.5A)
 1.41A 1n13H-3onpA:
undetectable
1n13K-3onpA:
undetectable		 1n13H-3onpA:
19.68
1n13K-3onpA:
12.18
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.
1N13_J_AG2J7013_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)
(Rhodobacter
sphaeroides) 		5 / 7 LEU A 129
ASP A 126
LEU A 122
GLY A 116
ARG A  11
 None
None
None
ACY  A 250 (-4.5A)
None
 1.40A 1n13G-3onpA:
undetectable
1n13J-3onpA:
undetectable		 1n13G-3onpA:
12.18
1n13J-3onpA:
19.68
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.
1NG8_A_DVAA6_0
(GRAMICIDIN A)		 1z72 TRANSCRIPTIONAL
REGULATOR, PUTATIVE
(Streptococcus
pneumoniae) 		3 / 3 ALA A 145
VAL A 209
TRP A  25
 ACY  A 801 ( 4.6A)
None
None
 0.93A 1ng8A-1z72A:
undetectable		 1ng8A-1z72A:
5.31
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.
1NG8_B_DVAB6_0
(GRAMICIDIN A)		 1z72 TRANSCRIPTIONAL
REGULATOR, PUTATIVE
(Streptococcus
pneumoniae) 		3 / 3 ALA A 145
VAL A 209
TRP A  25
 ACY  A 801 ( 4.6A)
None
None
 0.93A 1ng8B-1z72A:
undetectable		 1ng8B-1z72A:
5.31
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.
1NT2_A_SAMA301_0
(FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN)		 2gpj SIDEROPHORE-INTERACT
ING PROTEIN
(Shewanella
putrefaciens) 		6 / 12 GLY A 118
ALA A 196
SER A 223
ALA A 141
ASP A 119
ILE A 143
 None
None
None
None
ACY  A 509 (-3.7A)
None
 1.29A 1nt2A-2gpjA:
6.2		 1nt2A-2gpjA:
24.25
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.
1NW3_A_SAMA500_0
(HISTONE
METHYLTRANSFERASE
DOT1L)		 3ki8 BETA
UREIDOPROPIONASE
(BETA-ALANINE
SYNTHASE)
(Pyrococcus
abyssi) 		5 / 12 VAL A 173
PHE A 124
LEU A  95
ASN A  49
PHE A  50
 ACY  A3001 (-3.8A)
None
None
None
None
 1.33A 1nw3A-3ki8A:
undetectable		 1nw3A-3ki8A:
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.
1ONI_F_BEZF511_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
PUTATIVE
OXIDOREDUCTASE
FAD-BINDING SUBUNIT
(Sulfurisphaera
tokodaii;
Sulfurisphaera
tokodaii) 		4 / 5 TYR B   2
GLU A 247
PHE A  33
ALA A  35
 ACY  B 305 (-4.3A)
None
None
None
 1.17A 1oniE-4zohB:
undetectable
1oniF-4zohB:
undetectable		 1oniE-4zohB:
20.94
1oniF-4zohB:
20.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OQ5_A_CELA701_1
(CARBONIC ANHYDRASE
II)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 12 GLN A 113
HIS A 115
HIS A 117
VAL A 137
LEU A 216
THR A 217
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.17A 1oq5A-1y7wA:
26.3		 1oq5A-1y7wA:
31.94
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.
1OS2_A_HAEA874_1
(MACROPHAGE
METALLOELASTASE)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 5 HIS A 268
GLU A 110
HIS A 278
HIS A 266
 ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 0.96A 1os2A-1xcrA:
undetectable		 1os2A-1xcrA:
20.97
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.
1OS2_D_HAED574_1
(MACROPHAGE
METALLOELASTASE)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 4 HIS A 268
GLU A 110
HIS A 278
HIS A 266
 ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 0.94A 1os2D-1xcrA:
undetectable		 1os2D-1xcrA:
20.97
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.
1P91_A_SAMA1401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A)		 2ojh UNCHARACTERIZED
PROTEIN
ATU1656/AGR_C_3050
(Agrobacterium
fabrum) 		5 / 11 TYR A 154
GLY A 133
ILE A 110
TYR A 130
PRO A 128
 None
None
None
ACY  A 402 (-3.9A)
None
 1.07A 1p91A-2ojhA:
undetectable		 1p91A-2ojhA:
17.92
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.
1Q13_A_TESA501_1
(PROSTAGLANDIN-E2
9-REDUCTASE)		 3fg4 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN
(Plexaura
homomalla) 		4 / 6 TYR A1054
HIS A 752
PRO A 593
VAL A 997
 None
None
None
ACY  A2203 (-4.5A)
 1.43A 1q13A-3fg4A:
undetectable		 1q13A-3fg4A:
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.
1Q23_D_FUAD705_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3gip N-ACYL-D-GLUTAMATE
DEACYLASE
(Bordetella
bronchiseptica) 		5 / 12 THR A 216
SER A 185
SER A 247
ALA A 111
HIS A  68
 None
None
None
None
ACY  A 481 (-4.8A)
 1.43A 1q23D-3gipA:
undetectable
1q23E-3gipA:
undetectable		 1q23D-3gipA:
19.18
1q23E-3gipA:
19.18
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.
1QHY_A_CLMA888_0
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE)		 3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT
(Methanosarcina
barkeri) 		4 / 6 PRO A 707
MET A 708
ALA A 712
GLU A 693
 ACY  A 818 ( 4.7A)
None
None
None
 1.42A 1qhyA-3cf4A:
3.9		 1qhyA-3cf4A:
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.
1R55_A_097A518_1
(ADAM 33)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		5 / 10 ALA A 155
HIS A 268
GLU A 110
HIS A 278
HIS A 266
 None
ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 1.19A 1r55A-1xcrA:
undetectable		 1r55A-1xcrA:
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.
1R55_A_097A518_1
(ADAM 33)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		5 / 10 HIS A 268
GLU A 110
HIS A 278
HIS A 266
ALA A 158
 ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
None
 0.99A 1r55A-1xcrA:
undetectable		 1r55A-1xcrA:
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.
1RJ6_A_AZMA400_1
(CARBONIC ANHYDRASE
XIV)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 10 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.37A 1rj6A-1y7wA:
25.7		 1rj6A-1y7wA:
29.28
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.
1RJ6_A_AZMA400_1
(CARBONIC ANHYDRASE
XIV)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 HIS A 117
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.85A 1rj6A-1y7wA:
25.7		 1rj6A-1y7wA:
29.28
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.
1RJ6_B_AZMB401_1
(CARBONIC ANHYDRASE
XIV)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 10 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.37A 1rj6B-1y7wA:
25.5		 1rj6B-1y7wA:
29.28
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.
1RJ6_B_AZMB401_1
(CARBONIC ANHYDRASE
XIV)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 HIS A 117
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.85A 1rj6B-1y7wA:
25.5		 1rj6B-1y7wA:
29.28
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.
1RU9_H_ACTH611_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		4 / 6 TRP A 200
ASN A 196
LEU A 145
PHE A 152
 None
ACY  A 505 (-3.5A)
None
None
 1.32A 1ru9H-1zx5A:
undetectable
1ru9L-1zx5A:
undetectable		 1ru9H-1zx5A:
20.50
1ru9L-1zx5A:
21.07
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.
1RUK_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		4 / 8 ALA A  59
TYR A  60
GLY A 100
GLY A  55
 None
ACY  A 460 ( 4.5A)
None
None
 0.78A 1rukH-1whsA:
undetectable
1rukL-1whsA:
undetectable		 1rukH-1whsA:
20.23
1rukL-1whsA:
21.97
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.
1RUK_L_ACTL611_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		4 / 6 TRP A 200
ASN A 196
LEU A 145
PHE A 152
 None
ACY  A 505 (-3.5A)
None
None
 1.36A 1rukH-1zx5A:
undetectable
1rukL-1zx5A:
undetectable		 1rukH-1zx5A:
20.50
1rukL-1zx5A:
21.07
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.
1S8F_B_BEZB1503_0
(RAS-RELATED PROTEIN
RAB-9A)		 1z72 TRANSCRIPTIONAL
REGULATOR, PUTATIVE
(Streptococcus
pneumoniae) 		4 / 6 VAL A 118
THR A 119
LEU A 211
PHE A 215
 None
None
None
ACY  A 801 (-3.6A)
 1.09A 1s8fB-1z72A:
undetectable		 1s8fB-1z72A:
24.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		 1mh2 PHOSPHOLIPASE A2
(Naja
sagittifera) 		5 / 7 GLY A  30
HIS A  48
ASP A  49
TYR A  52
PRO A  63
 None
ACY  A 302 (-3.4A)
ACY  A 302 (-3.4A)
None
None
 0.67A 1th6A-1mh2A:
18.1		 1th6A-1mh2A:
36.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLM_A_MILA128_1
(TRANSTHYRETIN)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		3 / 3 LEU A  16
LEU A 282
SER A 301
 ACY  A1010 (-4.9A)
None
None
 0.26A 1tlmA-2igtA:
undetectable		 1tlmA-2igtA:
17.95
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.
1UPF_C_URFC999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		 3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE EPSILON SUBUNIT
(Methanosarcina
barkeri) 		4 / 5 MET G  89
ALA G  87
TYR G  84
ILE G  85
 ACY  G 171 ( 4.4A)
None
ACY  A 818 ( 4.9A)
None
 1.15A 1upfC-3cf4G:
3.1		 1upfC-3cf4G:
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.
1UTT_A_HAEA1265_1
(MACROPHAGE
METALLOELASTASE)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 4 HIS A 268
GLU A 110
HIS A 278
HIS A 266
 ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 0.99A 1uttA-1xcrA:
undetectable		 1uttA-1xcrA:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTZ_A_HAEA1267_1
(MACROPHAGE
METALLOELASTASE)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 4 HIS A 268
GLU A 110
HIS A 278
HIS A 266
 ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 0.97A 1utzA-1xcrA:
undetectable		 1utzA-1xcrA:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTZ_B_HAEB1266_1
(MACROPHAGE
METALLOELASTASE)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 4 HIS A 268
GLU A 110
HIS A 278
HIS A 266
 ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 0.94A 1utzB-1xcrA:
undetectable		 1utzB-1xcrA:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X1A_A_SAMA4264_0
(CRTF-RELATED PROTEIN)		 5xzd ENOYL-COA HYDRATASE
(Roseovarius
nubinhibens) 		5 / 12 GLU A 132
ALA A  27
GLY A 129
GLY A 108
ASP A 158
 ACY  A 301 (-3.5A)
None
None
ACY  A 301 ( 4.5A)
None
 0.99A 1x1aA-5xzdA:
undetectable		 1x1aA-5xzdA:
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.
1X7P_A_SAMA301_0
(RRNA
METHYLTRANSFERASE)		 1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE
(Klebsiella
aerogenes) 		6 / 11 THR A 316
GLY A 318
GLY A 203
ILE A  63
LEU A 336
ALA A 321
 ACY  A1402 (-4.3A)
None
None
None
None
None
 1.43A 1x7pA-1zkjA:
undetectable
1x7pB-1zkjA:
undetectable		 1x7pA-1zkjA:
23.63
1x7pB-1zkjA:
23.63
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.
1XOT_A_VDNA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 2qwv UPF0217 PROTEIN
VC_A1059
(Vibrio
cholerae) 		5 / 12 MET A 136
LEU A 180
ILE A 146
GLN A 201
ILE A 194
 ACY  A 301 ( 4.9A)
ACY  A 301 (-4.1A)
None
None
None
 1.09A 1xotA-2qwvA:
undetectable		 1xotA-2qwvA:
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.
1Y93_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 6 HIS A 268
GLU A 110
HIS A 278
HIS A 266
 ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 0.97A 1y93A-1xcrA:
undetectable		 1y93A-1xcrA:
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.
1YAJ_K_BEZK4387_0
(CES1 PROTEIN)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		3 / 3 TRP A  39
LEU A  14
LYS A  28
 None
None
ACY  A 503 (-2.7A)
 1.29A 1yajK-1zx5A:
undetectable		 1yajK-1zx5A:
21.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YDA_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 10 GLN A 113
HIS A 115
HIS A 135
VAL A 137
VAL A 153
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.33A 1ydaA-1y7wA:
25.8		 1ydaA-1y7wA:
31.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YDB_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 11 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.24A 1ydbA-1y7wA:
26.0		 1ydbA-1y7wA:
31.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YDB_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 HIS A 117
HIS A 115
VAL A 137
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 1.48A 1ydbA-1y7wA:
26.0		 1ydbA-1y7wA:
31.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YDD_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 10 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
THR A 217
THR A 218
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.23A 1yddA-1y7wA:
26.0		 1yddA-1y7wA:
31.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YDD_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 GLN A 113
HIS A 115
HIS A 117
VAL A 137
THR A 217
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-3.4A)
 1.16A 1yddA-1y7wA:
26.0		 1yddA-1y7wA:
31.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YDD_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 HIS A 117
HIS A 115
VAL A 137
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 1.46A 1yddA-1y7wA:
26.0		 1yddA-1y7wA:
31.61
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.
1Z9H_A_IMNA379_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		 3u37 ACETYL-XYLAN
ESTERASE EST2A
(Butyrivibrio
proteoclasticus) 		5 / 12 THR A 244
PRO A 352
SER A 311
TYR A 306
VAL A 247
 ACY  A 401 ( 4.5A)
None
None
None
None
 1.38A 1z9hA-3u37A:
undetectable		 1z9hA-3u37A:
23.00
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.
1Z9H_B_IMNB381_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		 3u37 ACETYL-XYLAN
ESTERASE EST2A
(Butyrivibrio
proteoclasticus) 		5 / 12 THR A 244
PRO A 352
SER A 311
TYR A 306
VAL A 247
 ACY  A 401 ( 4.5A)
None
None
None
None
 1.37A 1z9hB-3u37A:
undetectable		 1z9hB-3u37A:
23.00
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.
1Z9H_C_IMNC379_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		 3u37 ACETYL-XYLAN
ESTERASE EST2A
(Butyrivibrio
proteoclasticus) 		5 / 12 THR A 244
PRO A 352
SER A 311
TYR A 306
VAL A 247
 ACY  A 401 ( 4.5A)
None
None
None
None
 1.39A 1z9hC-3u37A:
undetectable		 1z9hC-3u37A:
23.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1Z9Y_A_FUNA500_1
(CARBONIC ANHYDRASE
II)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 12 GLN A 113
HIS A 115
HIS A 117
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.23A 1z9yA-1y7wA:
26.1		 1z9yA-1y7wA:
31.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZGF_A_TRUA300_1
(CARBONIC ANHYDRASE
II)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 12 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.23A 1zgfA-1y7wA:
26.2		 1zgfA-1y7wA:
31.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZSB_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 12 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
VAL A 153
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
 1.44A 1zsbA-1y7wA:
26.2		 1zsbA-1y7wA:
31.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZSB_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 12 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.28A 1zsbA-1y7wA:
26.2		 1zsbA-1y7wA:
31.61
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.
2AOU_B_CQAB401_0
(HISTAMINE
N-METHYLTRANSFERASE)		 3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404
(Pyrococcus
horikoshii) 		4 / 7 GLY A 347
ASP A 286
TYR A 472
THR A 322
 None
None
None
ACY  A 660 (-4.0A)
 1.16A 2aouB-3af5A:
undetectable		 2aouB-3af5A:
17.90
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.
2AOX_A_THAA400_1
(HISTAMINE
N-METHYLTRANSFERASE)		 2h6l HYPOTHETICAL PROTEIN
(Archaeoglobus
fulgidus) 		4 / 8 PHE A 136
PHE A 129
TYR A  54
TYR A  61
 None
None
ACY  A 301 (-4.4A)
ACY  A 301 ( 4.7A)
 1.45A 2aoxA-2h6lA:
undetectable		 2aoxA-2h6lA:
18.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 1mh2 PHOSPHOLIPASE A2
(Naja
sagittifera) 		5 / 7 GLY A  30
HIS A  48
ASP A  49
TYR A  52
PRO A  63
 None
ACY  A 302 (-3.4A)
ACY  A 302 (-3.4A)
None
None
 0.65A 2armA-1mh2A:
18.1		 2armA-1mh2A:
36.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 12 ILE A 112
GLN A 113
HIS A 115
HIS A 117
VAL A 137
LEU A 151
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
None
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.34A 2aw1A-1y7wA:
26.2		 2aw1A-1y7wA:
31.94
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.
2AZY_A_CHDA237_0
(PHOSPHOLIPASE A2,
MAJOR ISOENZYME)		 2gvi CONSERVED
HYPOTHETICAL PROTEIN
(Thermoplasma
acidophilum) 		5 / 11 ARG A 104
ILE A 151
ILE A 143
MET A 108
TYR A  22
 ACY  A 407 ( 4.3A)
None
None
None
UNL  A 400 (-4.8A)
 0.96A 2azyA-2gviA:
undetectable		 2azyA-2gviA:
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.
2B25_A_SAMA601_0
(HYPOTHETICAL PROTEIN)		 3giu PYRROLIDONE-CARBOXYL
ATE PEPTIDASE
(Staphylococcus
aureus) 		5 / 12 THR A  42
GLY A  67
ARG A  72
HIS A 165
ILE A 169
 ACY  A 214 ( 3.5A)
ACY  A 214 (-3.6A)
None
ZN  A 213 (-3.5A)
None
 0.95A 2b25A-3giuA:
undetectable		 2b25A-3giuA:
21.74
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.
2B25_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		 3giu PYRROLIDONE-CARBOXYL
ATE PEPTIDASE
(Staphylococcus
aureus) 		5 / 12 THR A  42
GLY A  67
ARG A  72
HIS A 165
ILE A 169
 ACY  A 214 ( 3.5A)
ACY  A 214 (-3.6A)
None
ZN  A 213 (-3.5A)
None
 1.09A 2b25B-3giuA:
undetectable		 2b25B-3giuA:
21.74
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.
2BJF_A_DXCA330_0
(CHOLOYLGLYCINE
HYDROLASE)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		5 / 12 CYH A 237
MET A 233
PHE A 140
ALA A 191
ILE A 167
 None
None
SAM  A1001 (-4.4A)
SAM  A1001 (-3.6A)
ACY  A1009 (-4.5A)
 1.31A 2bjfA-2igtA:
undetectable		 2bjfA-2igtA:
21.76
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.
2BXC_A_P1ZA2001_1
(SERUM ALBUMIN)		 4ll6 MYOSIN-4
(Saccharomyces
cerevisiae) 		5 / 12 LEU A1413
ALA A1359
ILE A1362
ILE A1391
ALA A1390
 None
None
ACY  A1502 ( 4.7A)
None
None
 0.89A 2bxcA-4ll6A:
undetectable		 2bxcA-4ll6A:
19.86
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.
2CDQ_B_SAMB1500_0
(ASPARTOKINASE)		 2g39 ACETYL-COA HYDROLASE
(Pseudomonas
aeruginosa) 		4 / 7 ASP A 107
SER A  67
LEU A 110
GLU A 288
 None
None
ACY  A 901 (-4.9A)
ACY  A 901 (-2.6A)
 1.07A 2cdqB-2g39A:
undetectable		 2cdqB-2g39A:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CML_C_ZMRC3478_1
(NEURAMINIDASE)		 3gip N-ACYL-D-GLUTAMATE
DEACYLASE
(Bordetella
bronchiseptica) 		4 / 8 ASP A 365
SER A 364
SER A 380
LYS A  82
 ACY  A 481 ( 2.5A)
None
None
None
 0.94A 2cmlC-3gipA:
undetectable		 2cmlC-3gipA:
18.89
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.
2CML_D_ZMRD4478_1
(NEURAMINIDASE)		 3gip N-ACYL-D-GLUTAMATE
DEACYLASE
(Bordetella
bronchiseptica) 		4 / 8 ASP A 365
SER A 364
SER A 380
LYS A  82
 ACY  A 481 ( 2.5A)
None
None
None
 0.89A 2cmlD-3gipA:
undetectable		 2cmlD-3gipA:
18.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DPZ_A_TYLA2001_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 1mh2 PHOSPHOLIPASE A2
(Naja
sagittifera) 		4 / 6 ALA A  23
HIS A  48
TYR A  52
LYS A  64
 None
ACY  A 302 (-3.4A)
None
ACY  A 302 (-2.7A)
 1.18A 2dpzA-1mh2A:
18.4		 2dpzA-1mh2A:
36.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DPZ_A_TYLA2001_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 1mh2 PHOSPHOLIPASE A2
(Naja
sagittifera) 		4 / 6 HIS A  48
ASP A  49
TYR A  52
LYS A  64
 ACY  A 302 (-3.4A)
ACY  A 302 (-3.4A)
None
ACY  A 302 (-2.7A)
 0.66A 2dpzA-1mh2A:
18.4		 2dpzA-1mh2A:
36.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F78_A_BEZA1003_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 5ie2 OXALATE--COA LIGASE
(Arabidopsis
thaliana) 		4 / 7 VAL A 232
SER A 225
HIS A 216
THR A 258
 None
None
ACY  A 603 (-4.5A)
None
 1.10A 2f78A-5ie2A:
undetectable		 2f78A-5ie2A:
18.45
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.
2FN1_A_SALA506_1
(SALICYLATE
SYNTHETASE, IRP9)		 5xga OSMOLARITY SENSOR
PROTEIN ENVZ
(Escherichia
coli) 		5 / 11 ILE A  53
GLU A  20
THR A 117
LEU A  17
GLY A  52
 None
ACY  A 203 ( 4.1A)
None
None
None
 1.38A 2fn1A-5xgaA:
undetectable		 2fn1A-5xgaA:
14.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 8 HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.38A 2gehA-1y7wA:
26.2		 2gehA-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		4 / 8 HIS A 117
VAL A 137
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 0.87A 2gehA-1y7wA:
26.2		 2gehA-1y7wA:
32.05
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.
2H42_C_VIAC903_2
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 2gvi CONSERVED
HYPOTHETICAL PROTEIN
(Thermoplasma
acidophilum) 		3 / 3 ASN A 105
ILE A 151
MET A  25
 ACY  A 410 ( 3.5A)
None
None
 0.85A 2h42C-2gviA:
undetectable		 2h42C-2gviA:
19.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2H4N_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 9 GLN A 113
HIS A 117
HIS A 135
VAL A 137
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.40A 2h4nA-1y7wA:
26.2		 2h4nA-1y7wA:
31.61
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.
2HDN_F_TACF3888_1
(ELONGATION FACTOR
EF-TU)		 2olw RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE E
(Escherichia
coli) 		4 / 7 SER A  82
ASP A  81
VAL A 111
LEU A 131
 None
None
None
ACY  A1004 (-3.8A)
 1.03A 2hdnE-2olwA:
undetectable
2hdnF-2olwA:
undetectable
2hdnH-2olwA:
undetectable		 2hdnE-2olwA:
11.83
2hdnF-2olwA:
21.11
2hdnH-2olwA:
21.11
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.
2HU6_A_HAEA269_1
(MACROPHAGE
METALLOELASTASE)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 4 HIS A 268
GLU A 110
HIS A 278
HIS A 266
 ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 0.95A 2hu6A-1xcrA:
undetectable		 2hu6A-1xcrA:
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.
2I30_A_SALA1200_1
(SERUM ALBUMIN)		 4ll6 MYOSIN-4
(Saccharomyces
cerevisiae) 		4 / 4 LEU A1413
ILE A1362
ILE A1391
ALA A1390
 None
ACY  A1502 ( 4.7A)
None
None
 0.78A 2i30A-4ll6A:
undetectable		 2i30A-4ll6A:
19.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IGT_A_SAMA1001_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		12 / 12 PHE A 113
PHE A 140
TYR A 142
ALA A 162
SER A 163
ALA A 166
ALA A 191
PRO A 213
GLY A 216
GLY A 218
TRP A 224
TYR A 253
 FMT  A1013 ( 3.5A)
SAM  A1001 (-4.4A)
FMT  A1013 ( 4.7A)
SAM  A1001 (-3.5A)
ACY  A1008 ( 2.6A)
SAM  A1001 ( 3.9A)
SAM  A1001 (-3.6A)
SAM  A1001 (-3.2A)
SAM  A1001 (-3.5A)
SAM  A1001 (-3.7A)
None
SAM  A1001 (-4.7A)
 0.11A 2igtA-2igtA:
55.4		 2igtA-2igtA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IGT_B_SAMB1002_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		12 / 12 PHE A 113
PHE A 140
TYR A 142
ALA A 162
SER A 163
ALA A 166
ALA A 191
PRO A 213
GLY A 216
GLY A 218
TRP A 224
TYR A 253
 FMT  A1013 ( 3.5A)
SAM  A1001 (-4.4A)
FMT  A1013 ( 4.7A)
SAM  A1001 (-3.5A)
ACY  A1008 ( 2.6A)
SAM  A1001 ( 3.9A)
SAM  A1001 (-3.6A)
SAM  A1001 (-3.2A)
SAM  A1001 (-3.5A)
SAM  A1001 (-3.7A)
None
SAM  A1001 (-4.7A)
 0.13A 2igtB-2igtA:
52.2		 2igtB-2igtA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IGT_C_SAMC1003_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		11 / 12 PHE A 113
PHE A 140
TYR A 142
ALA A 162
SER A 163
ALA A 166
ALA A 191
PRO A 213
GLY A 218
TRP A 224
TYR A 253
 FMT  A1013 ( 3.5A)
SAM  A1001 (-4.4A)
FMT  A1013 ( 4.7A)
SAM  A1001 (-3.5A)
ACY  A1008 ( 2.6A)
SAM  A1001 ( 3.9A)
SAM  A1001 (-3.6A)
SAM  A1001 (-3.2A)
SAM  A1001 (-3.7A)
None
SAM  A1001 (-4.7A)
 0.08A 2igtC-2igtA:
51.6		 2igtC-2igtA:
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.
2IGT_C_SAMC1003_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 3gip N-ACYL-D-GLUTAMATE
DEACYLASE
(Bordetella
bronchiseptica) 		4 / 4 ASP A 365
ASP A  69
ASP A 280
GLY A  93
 ACY  A 481 ( 2.5A)
None
None
None
 1.31A 2igtC-3gipA:
undetectable		 2igtC-3gipA:
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 8 HIS A 115
HIS A 117
HIS A 135
VAL A 153
LEU A 216
THR A 217
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 0.27A 2it4A-1y7wA:
25.0		 2it4A-1y7wA:
29.87
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		4 / 8 HIS A 117
VAL A 137
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 0.81A 2it4A-1y7wA:
25.0		 2it4A-1y7wA:
29.87
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.
2JAP_A_J01A1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 2zu6 EUKARYOTIC
INITIATION FACTOR
4A-I
(Homo
sapiens) 		5 / 12 LEU A 212
SER A  89
VAL A 236
ALA A  74
THR A  83
 EDO  A   3 ( 4.5A)
ACY  A   1 (-3.6A)
None
None
None
 1.26A 2japA-2zu6A:
2.8		 2japA-2zu6A:
23.66
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.
2JAP_A_J01A1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN
(Bordetella
pertussis) 		5 / 12 SER A 234
VAL A 163
TYR A 158
LEU A 211
TYR A 184
 None
None
ACY  A 401 (-3.4A)
None
None
 1.17A 2japA-4mptA:
3.4		 2japA-4mptA:
22.19
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.
2JAP_B_J01B1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN
(Bordetella
pertussis) 		5 / 12 SER A 234
VAL A 163
TYR A 158
LEU A 211
TYR A 184
 None
None
ACY  A 401 (-3.4A)
None
None
 1.17A 2japB-4mptA:
3.1		 2japB-4mptA:
22.19
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.
2JAP_C_J01C1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN
(Bordetella
pertussis) 		5 / 12 SER A 234
VAL A 163
TYR A 158
LEU A 211
TYR A 184
 None
None
ACY  A 401 (-3.4A)
None
None
 1.15A 2japC-4mptA:
2.9		 2japC-4mptA:
22.19
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.
2JAP_D_J01D1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 2zu6 EUKARYOTIC
INITIATION FACTOR
4A-I
(Homo
sapiens) 		5 / 12 LEU A 212
SER A  89
VAL A 236
ALA A  74
THR A  83
 EDO  A   3 ( 4.5A)
ACY  A   1 (-3.6A)
None
None
None
 1.27A 2japD-2zu6A:
2.1		 2japD-2zu6A:
23.66
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.
2JAP_D_J01D1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN
(Bordetella
pertussis) 		5 / 12 SER A 234
VAL A 163
TYR A 158
LEU A 211
TYR A 184
 None
None
ACY  A 401 (-3.4A)
None
None
 1.15A 2japD-4mptA:
3.6		 2japD-4mptA:
22.19
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.
2JFA_B_RALB600_2
(ESTROGEN RECEPTOR)		 3pdw UNCHARACTERIZED
HYDROLASE YUTF
(Bacillus
subtilis) 		4 / 4 LEU A 204
THR A 203
ILE A 258
HIS A 262
 None
None
None
ACY  A 269 (-4.0A)
 1.18A 2jfaB-3pdwA:
undetectable		 2jfaB-3pdwA:
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.
2JN3_A_JN3A131_1
(FATTY ACID-BINDING
PROTEIN, LIVER)		 1pp0 VOLVATOXIN A2
(Volvariella
volvacea) 		5 / 12 PHE A 107
ILE A 103
LEU A  99
LEU A 119
PHE A 138
 None
None
None
None
ACY  A4011 (-4.6A)
 1.22A 2jn3A-1pp0A:
2.0		 2jn3A-1pp0A:
19.10
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.
2LBD_A_REAA500_1
(RETINOIC ACID
RECEPTOR GAMMA)		 3zx2 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 1
(Rattus
norvegicus) 		5 / 12 LYS A 378
LEU A 421
ILE A 420
GLY A 427
LEU A 352
 None
ACY  A 511 (-4.4A)
ACY  A 511 ( 3.9A)
None
None
 1.31A 2lbdA-3zx2A:
undetectable		 2lbdA-3zx2A:
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.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		 3igq GLR4197 PROTEIN
(Gloeobacter
violaceus) 		5 / 12 ILE A  76
GLU A 104
ALA A  41
ARG A  85
PHE A  78
 ACY  A 701 (-4.5A)
ACY  A 701 ( 4.8A)
None
ACY  A 701 ( 3.2A)
CL  A 901 (-4.7A)
 1.32A 2noaA-3igqA:
undetectable		 2noaA-3igqA:
20.61
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.
2O4N_A_TPVA300_2
(PROTEASE)		 1fu1 DNA REPAIR PROTEIN
XRCC4
(Homo
sapiens) 		5 / 8 ARG A  71
LEU A  75
ILE A  34
GLY A 109
LEU A  28
 None
None
None
ACY  A 503 (-3.5A)
None
 1.47A 2o4nB-1fu1A:
undetectable		 2o4nB-1fu1A:
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.
2O4S_A_AB1A400_1
(PROTEASE)		 4l0c DEFORMYLASE
(Pseudomonas
putida) 		5 / 12 GLY A  58
ASP A  55
ILE A  28
GLY A  30
ILE A  31
 None
None
None
ACY  A 301 (-3.6A)
None
 0.90A 2o4sA-4l0cA:
undetectable		 2o4sA-4l0cA:
18.50
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.
2OIP_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2
(Arabidopsis
thaliana) 		5 / 12 PHE A 134
SER A 137
THR A  53
TYR A  15
THR A 209
 ACY  A 800 (-4.5A)
ACY  A 800 (-3.0A)
None
None
None
 1.17A 2oipB-2q42A:
undetectable		 2oipB-2q42A:
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.
2OW9_A_HAEA502_1
(COLLAGENASE 3)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		5 / 6 LEU A  68
HIS A 268
GLU A 110
HIS A 278
HIS A 266
 None
ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 1.15A 2ow9A-1xcrA:
undetectable		 2ow9A-1xcrA:
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.
2OW9_B_HAEB502_1
(COLLAGENASE 3)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 4 HIS A 268
GLU A 110
HIS A 278
HIS A 266
 ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 1.01A 2ow9B-1xcrA:
undetectable		 2ow9B-1xcrA:
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.
2OZR_C_HAEC3001_1
(COLLAGENASE 3)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 4 HIS A 268
GLU A 110
HIS A 278
HIS A 266
 ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 0.96A 2ozrC-1xcrA:
undetectable		 2ozrC-1xcrA:
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.
2OZR_D_HAED3002_1
(COLLAGENASE 3)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 4 HIS A 268
GLU A 110
HIS A 278
HIS A 266
 ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 0.98A 2ozrD-1xcrA:
undetectable		 2ozrD-1xcrA:
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.
2OZR_E_HAEE3003_1
(COLLAGENASE 3)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 4 HIS A 268
GLU A 110
HIS A 278
HIS A 266
 ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 0.99A 2ozrE-1xcrA:
undetectable		 2ozrE-1xcrA:
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		6 / 12 ASP A  24
GLY A  68
GLY A  69
ASN A  73
GLY A 315
ASP A 318
 ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.70A 2pkkA-1dgmA:
27.4		 2pkkA-1dgmA:
25.75
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.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		6 / 12 ASP A  24
GLY A  68
GLY A  69
ASN A  73
GLY A 315
ASP A 318
 ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.69A 2pkmA-1dgmA:
27.2		 2pkmA-1dgmA:
25.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 12 GLN A 113
HIS A 115
HIS A 117
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.21A 2pouA-1y7wA:
26.2		 2pouA-1y7wA:
32.05
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.
2PRG_B_BRLB2_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 5gw8 HYPOTHETICAL
SECRETORY LIPASE
(FAMILY 3)
(Malassezia
globosa) 		5 / 12 HIS A 221
LEU A 178
VAL A 203
LEU A 259
TYR A  38
 ACY  A 405 (-4.1A)
None
None
None
None
 1.41A 2prgB-5gw8A:
undetectable		 2prgB-5gw8A:
20.25
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.
2Q0J_A_BEZA500_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)		 2p18 GLYOXALASE II
(Leishmania
infantum) 		5 / 10 ASP A  80
HIS A 139
ASP A 164
PHE A 175
HIS A 210
 ZN  A 301 ( 2.7A)
ZN  A 302 ( 3.2A)
ZN  A 301 (-2.5A)
ACY  A1022 (-4.9A)
ZN  A 301 ( 3.3A)
 0.46A 2q0jA-2p18A:
14.3		 2q0jA-2p18A:
26.37
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.
2Q0J_B_BEZB500_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)		 2p18 GLYOXALASE II
(Leishmania
infantum) 		6 / 11 ASP A  80
HIS A  81
HIS A 139
ASP A 164
PHE A 175
HIS A 210
 ZN  A 301 ( 2.7A)
ZN  A 301 (-3.3A)
ZN  A 302 ( 3.2A)
ZN  A 301 (-2.5A)
ACY  A1022 (-4.9A)
ZN  A 301 ( 3.3A)
 0.48A 2q0jB-2p18A:
14.5		 2q0jB-2p18A:
26.37
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.
2Q2H_B_ACTB501_0
(SECRETION CHAPERONE,
PHAGE-DISPLAY
DERIVED PEPTIDE)		 2g39 ACETYL-COA HYDROLASE
(Pseudomonas
aeruginosa) 		3 / 3 ARG A 118
SER A 152
TYR A 183
 ACY  A 903 (-3.9A)
ACY  A 903 (-2.5A)
ACY  A 903 (-4.4A)
 1.00A 2q2hA-2g39A:
undetectable
2q2hB-2g39A:
undetectable		 2q2hA-2g39A:
15.06
2q2hB-2g39A:
15.06
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.
2QMM_B_SAMB301_0
(UPF0217 PROTEIN
AF_1056)		 4jwg TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE
(Schizosaccharomy
ces
pombe) 		5 / 11 LEU A 183
ILE A 202
GLY A 203
LEU A 229
LEU A 243
 None
ACY  A 302 ( 4.8A)
ACY  A 302 (-3.9A)
None
None
 0.69A 2qmmA-4jwgA:
6.9
2qmmB-4jwgA:
6.8		 2qmmA-4jwgA:
25.32
2qmmB-4jwgA:
25.32
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.
2QQC_K_AG2K671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)
(Rhodobacter
sphaeroides) 		5 / 8 ARG A  11
LEU A 129
ASP A 126
LEU A 122
GLY A 116
 None
None
None
None
ACY  A 250 (-4.5A)
 1.39A 2qqcH-3onpA:
undetectable
2qqcK-3onpA:
undetectable		 2qqcH-3onpA:
19.84
2qqcK-3onpA:
10.92
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.
2RLF_B_RIMB299_1
(MATRIX PROTEIN 2)		 3aii GLUTAMYL-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 LEU A 133
LEU A 131
ILE A 135
ARG A 134
 None
ACY  A 601 (-3.9A)
None
None
 1.11A 2rlfB-3aiiA:
undetectable
2rlfC-3aiiA:
undetectable		 2rlfB-3aiiA:
6.39
2rlfC-3aiiA:
6.39
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.
2UXP_B_CLMB1211_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR)		 1mx3 C-TERMINAL BINDING
PROTEIN 1
(Homo
sapiens) 		5 / 11 ALA A 123
SER A 124
GLY A  99
ILE A  98
VAL A  40
 None
None
ACY  A4000 ( 3.8A)
None
None
 1.31A 2uxpB-1mx3A:
0.0		 2uxpB-1mx3A:
21.47
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.
2V0Z_C_C41C1328_1
(RENIN)		 5x09 V-TYPE ATP SYNTHASE
ALPHA CHAIN,V-TYPE
ATP SYNTHASE ALPHA
CHAIN
(Pyrococcus
horikoshii) 		6 / 12 VAL A 151
ASP A 134
GLY A 378
SER A 379
PRO A 180
GLY A 132
 None
ACY  A 602 ( 4.5A)
None
None
None
None
 1.39A 2v0zC-5x09A:
undetectable		 2v0zC-5x09A:
20.11
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.
2VMY_A_FFOA505_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		5 / 12 GLY A  98
LEU A 250
VAL A 248
ALA A 158
GLY A 127
 ACY  A2001 (-3.2A)
None
None
None
None
 1.08A 2vmyB-1xcrA:
undetectable		 2vmyB-1xcrA:
21.86
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.
2VMY_B_FFOB505_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		5 / 12 GLY A  98
LEU A 250
VAL A 248
ALA A 158
GLY A 127
 ACY  A2001 (-3.2A)
None
None
None
None
 1.03A 2vmyA-1xcrA:
undetectable		 2vmyA-1xcrA:
21.86
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.
2Y7H_B_SAMB530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 2cb9 FENGYCIN SYNTHETASE
(Bacillus
subtilis) 		5 / 12 ILE A  30
GLY A  34
GLY A  32
ASN A  17
LEU A  44
 ACY  A1225 ( 4.7A)
None
None
None
None
 1.04A 2y7hB-2cb9A:
undetectable		 2y7hB-2cb9A:
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.
2Y7H_B_SAMB530_1
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 1z72 TRANSCRIPTIONAL
REGULATOR, PUTATIVE
(Streptococcus
pneumoniae) 		3 / 3 TYR A 149
GLU A 212
THR A 119
 ACY  A 801 (-3.8A)
ACY  A 801 (-2.7A)
None
 1.04A 2y7hB-1z72A:
undetectable		 2y7hB-1z72A:
18.91
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.
2YGQ_A_PCFA1275_0
(WNT INHIBITORY
FACTOR 1)		 5v38 HCHA
(Clostridium
botulinum) 		6 / 12 ILE A1045
LEU A 918
ILE A 953
ILE A 866
PHE A1064
VAL A1009
 None
None
None
ACY  A1304 ( 4.9A)
None
None
 1.40A 2ygqA-5v38A:
undetectable		 2ygqA-5v38A:
18.91
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.
2YHD_A_TESA1920_1
(ANDROGEN RECEPTOR)		 3u37 ACETYL-XYLAN
ESTERASE EST2A
(Butyrivibrio
proteoclasticus) 		5 / 12 LEU A 242
ASN A 241
MET A 163
THR A 244
MET A 308
 None
None
None
ACY  A 401 ( 4.5A)
None
 1.42A 2yhdA-3u37A:
undetectable		 2yhdA-3u37A:
21.01
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.
2YLP_A_TESA1921_1
(ANDROGEN RECEPTOR)		 3u37 ACETYL-XYLAN
ESTERASE EST2A
(Butyrivibrio
proteoclasticus) 		5 / 11 LEU A 242
ASN A 241
MET A 163
THR A 244
MET A 308
 None
None
None
ACY  A 401 ( 4.5A)
None
 1.42A 2ylpA-3u37A:
undetectable		 2ylpA-3u37A:
21.11
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.
2YLQ_A_TESA1921_1
(ANDROGEN RECEPTOR)		 3u37 ACETYL-XYLAN
ESTERASE EST2A
(Butyrivibrio
proteoclasticus) 		5 / 11 LEU A 242
ASN A 241
MET A 163
THR A 244
MET A 308
 None
None
None
ACY  A 401 ( 4.5A)
None
 1.41A 2ylqA-3u37A:
undetectable		 2ylqA-3u37A:
21.11
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.
2ZBU_D_ADND504_1
(UNCHARACTERIZED
CONSERVED PROTEIN)		 3giu PYRROLIDONE-CARBOXYL
ATE PEPTIDASE
(Staphylococcus
aureus) 		3 / 3 PHE A   8
ASN A  17
PHE A  11
 ACY  A 214 (-4.2A)
ACY  A 214 (-3.2A)
ACY  A 214 (-4.0A)
 1.07A 2zbuD-3giuA:
3.0		 2zbuD-3giuA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A27_A_SAMA250_1
(UNCHARACTERIZED
PROTEIN MJ1557)		 5xzd ENOYL-COA HYDRATASE
(Roseovarius
nubinhibens) 		3 / 3 MET A 115
GLU A 132
ASN A 134
 None
ACY  A 301 (-3.5A)
None
 1.04A 3a27A-5xzdA:
undetectable		 3a27A-5xzdA:
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.
3AI9_X_SAMX501_0
(UPF0217 PROTEIN
MJ1640)		 4jwg TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE
(Schizosaccharomy
ces
pombe) 		5 / 9 LEU A 183
ILE A 202
GLY A 203
LEU A 229
LEU A 243
 None
ACY  A 302 ( 4.8A)
ACY  A 302 (-3.9A)
None
None
 0.72A 3ai9X-4jwgA:
7.5		 3ai9X-4jwgA:
22.84
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)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		11 / 12 LEU A 981
ARG A1023
ASP A1025
ALA A1026
ASN A1029
GLU A1063
ARG A1088
HIS A1135
ASP A1136
ASP A1458
GLN A1509
 None
GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-4.6A)
GOL  A2791 (-3.4A)
ACY  A2820 (-2.8A)
None
GOL  A2791 (-4.3A)
GOL  A2773 (-2.8A)
GOL  A2773 (-3.0A)
 0.60A 3aicA-4aygA:
55.0		 3aicA-4aygA:
43.17
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)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		11 / 12 LEU A 981
ARG A1023
ASP A1025
ALA A1026
ASN A1029
GLU A1063
ARG A1088
HIS A1135
ASP A1136
ASP A1458
GLN A1509
 None
GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-4.6A)
GOL  A2791 (-3.4A)
ACY  A2820 (-2.8A)
None
GOL  A2791 (-4.3A)
GOL  A2773 (-2.8A)
GOL  A2773 (-3.0A)
 0.62A 3aicB-4aygA:
54.6		 3aicB-4aygA:
43.17
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)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		11 / 12 ARG A1023
ASP A1025
ALA A1026
ASN A1029
GLU A1063
ARG A1088
HIS A1135
ASP A1136
ASP A1458
TYR A1465
GLN A1509
 GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-4.6A)
GOL  A2791 (-3.4A)
ACY  A2820 (-2.8A)
None
GOL  A2791 (-4.3A)
GOL  A2773 (-2.8A)
GOL  A2773 ( 4.1A)
GOL  A2773 (-3.0A)
 0.59A 3aicC-4aygA:
55.7		 3aicC-4aygA:
43.17
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)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		11 / 12 LEU A 981
ARG A1023
ASP A1025
ALA A1026
ASN A1029
GLU A1063
ARG A1088
HIS A1135
ASP A1136
ASP A1458
GLN A1509
 None
GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-4.6A)
GOL  A2791 (-3.4A)
ACY  A2820 (-2.8A)
None
GOL  A2791 (-4.3A)
GOL  A2773 (-2.8A)
GOL  A2773 (-3.0A)
 0.61A 3aicD-4aygA:
55.6		 3aicD-4aygA:
43.17
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)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		11 / 12 LEU A 981
ARG A1023
ASP A1025
ALA A1026
ASN A1029
GLU A1063
ARG A1088
HIS A1135
ASP A1136
ASP A1458
GLN A1509
 None
GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-4.6A)
GOL  A2791 (-3.4A)
ACY  A2820 (-2.8A)
None
GOL  A2791 (-4.3A)
GOL  A2773 (-2.8A)
GOL  A2773 (-3.0A)
 0.57A 3aicE-4aygA:
55.7		 3aicE-4aygA:
43.17
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)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		11 / 12 LEU A 981
ARG A1023
ASP A1025
ALA A1026
ASN A1029
GLU A1063
ARG A1088
HIS A1135
ASP A1136
ASP A1458
GLN A1509
 None
GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-4.6A)
GOL  A2791 (-3.4A)
ACY  A2820 (-2.8A)
None
GOL  A2791 (-4.3A)
GOL  A2773 (-2.8A)
GOL  A2773 (-3.0A)
 0.66A 3aicF-4aygA:
54.9		 3aicF-4aygA:
43.17
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)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		11 / 12 LEU A 981
ARG A1023
ASP A1025
ALA A1026
ASN A1029
GLU A1063
ARG A1088
HIS A1135
ASP A1136
ASP A1458
GLN A1509
 None
GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-4.6A)
GOL  A2791 (-3.4A)
ACY  A2820 (-2.8A)
None
GOL  A2791 (-4.3A)
GOL  A2773 (-2.8A)
GOL  A2773 (-3.0A)
 0.63A 3aicG-4aygA:
55.7		 3aicG-4aygA:
43.17
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)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		11 / 12 LEU A 981
ARG A1023
ASP A1025
ALA A1026
ASN A1029
GLU A1063
ARG A1088
HIS A1135
ASP A1136
ASP A1458
GLN A1509
 None
GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-4.6A)
GOL  A2791 (-3.4A)
ACY  A2820 (-2.8A)
None
GOL  A2791 (-4.3A)
GOL  A2773 (-2.8A)
GOL  A2773 (-3.0A)
 0.57A 3aicH-4aygA:
55.6		 3aicH-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3APT_B_ACTB311_0
(METHYLENETETRAHYDROF
OLATE REDUCTASE)		 5ume 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE
(Haemophilus
influenzae) 		6 / 9 GLU A  26
HIS A  86
ALA A 148
ILE A 179
HIS A 271
TYR A 273
 ACY  A 302 (-2.8A)
FAD  A 300 (-3.8A)
FAD  A 300 (-3.4A)
FAD  A 300 (-4.0A)
None
ACY  A 302 ( 4.0A)
 0.53A 3aptB-5umeA:
29.1		 3aptB-5umeA:
38.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 12 ASN A   5
HIS A 117
HIS A 115
VAL A 137
LEU A 216
 None
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
 1.29A 3bl1A-1y7wA:
26.1		 3bl1A-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 12 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.24A 3bl1A-1y7wA:
26.1		 3bl1A-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 12 HIS A 117
VAL A 137
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.95A 3bl1A-1y7wA:
26.1		 3bl1A-1y7wA:
32.05
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.
3BOG_D_DHID8_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 5hcf CALRETICULIN,
PUTATIVE,CALRETICULI
N, PUTATIVE
(Trypanosoma
cruzi) 		4 / 4 SER A 326
GLY A 325
GLY A 108
GLY A 106
 None
None
None
ACY  A 402 ( 4.1A)
 0.80A 3bogB-5hcfA:
undetectable
3bogD-5hcfA:
undetectable		 3bogB-5hcfA:
undetectable
3bogD-5hcfA:
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.
3BOY_A_HISA1001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3gip N-ACYL-D-GLUTAMATE
DEACYLASE
(Bordetella
bronchiseptica) 		5 / 10 GLY A 366
HIS A  68
HIS A  66
TYR A 282
HIS A 248
 None
ACY  A 481 (-4.8A)
ACY  A 481 ( 4.9A)
FMT  A 482 (-4.4A)
ZN  A 484 (-3.3A)
 1.09A 3boyA-3gipA:
undetectable
3boyC-3gipA:
undetectable		 3boyA-3gipA:
14.38
3boyC-3gipA:
14.38
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.
3BOY_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3gip N-ACYL-D-GLUTAMATE
DEACYLASE
(Bordetella
bronchiseptica) 		5 / 10 HIS A  66
TYR A 282
HIS A 248
GLY A 366
HIS A  68
 ACY  A 481 ( 4.9A)
FMT  A 482 (-4.4A)
ZN  A 484 (-3.3A)
None
ACY  A 481 (-4.8A)
 1.09A 3boyA-3gipA:
undetectable
3boyB-3gipA:
undetectable		 3boyA-3gipA:
14.38
3boyB-3gipA:
14.38
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.
3BOY_A_HISA3001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3gip N-ACYL-D-GLUTAMATE
DEACYLASE
(Bordetella
bronchiseptica) 		5 / 10 HIS A  66
TYR A 282
HIS A 248
GLY A 366
HIS A  68
 ACY  A 481 ( 4.9A)
FMT  A 482 (-4.4A)
ZN  A 484 (-3.3A)
None
ACY  A 481 (-4.8A)
 1.08A 3boyB-3gipA:
undetectable
3boyC-3gipA:
undetectable		 3boyB-3gipA:
14.38
3boyC-3gipA:
14.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CAJ_A_EZLA265_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 10 HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.27A 3cajA-1y7wA:
26.2		 3cajA-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CAJ_A_EZLA265_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 HIS A 117
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.91A 3cajA-1y7wA:
26.2		 3cajA-1y7wA:
32.05
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.
3CWK_A_REAA300_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		 3dew TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY
(Geobacter
sulfurreducens) 		5 / 12 PHE A  61
LEU A  98
ALA A 120
PRO A 119
VAL A 124
 None
None
None
None
ACY  A 209 ( 4.7A)
 1.14A 3cwkA-3dewA:
undetectable		 3cwkA-3dewA:
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.
3CZV_A_AZMA263_1
(CARBONIC ANHYDRASE
13)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 12 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.46A 3czvA-1y7wA:
26.0
3czvB-1y7wA:
25.8		 3czvA-1y7wA:
29.08
3czvB-1y7wA:
29.08
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.
3CZV_B_AZMB263_1
(CARBONIC ANHYDRASE
13)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 10 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.40A 3czvB-1y7wA:
25.8		 3czvB-1y7wA:
29.08
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.
3CZV_B_AZMB263_1
(CARBONIC ANHYDRASE
13)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 HIS A 117
HIS A 115
VAL A 137
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 1.44A 3czvB-1y7wA:
25.8		 3czvB-1y7wA:
29.08
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.
3D2T_A_1FLA502_1
(TRANSTHYRETIN)		 3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT
ACETYL-COA
DECARBOXYLASE/SYNTHA
SE EPSILON SUBUNIT
(Methanosarcina
barkeri) 		4 / 7 ALA G 127
LEU G 125
THR A  70
VAL A  68
 ACY  A 821 (-3.6A)
PEG  G 173 ( 4.0A)
None
ACY  A 821 ( 4.3A)
 0.64A 3d2tA-3cf4G:
undetectable		 3d2tA-3cf4G:
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.
3D2T_B_1FLB500_1
(TRANSTHYRETIN)		 3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT
ACETYL-COA
DECARBOXYLASE/SYNTHA
SE EPSILON SUBUNIT
(Methanosarcina
barkeri) 		4 / 6 ALA G 127
LEU G 125
THR A  70
VAL A  68
 ACY  A 821 (-3.6A)
PEG  G 173 ( 4.0A)
None
ACY  A 821 ( 4.3A)
 0.60A 3d2tB-3cf4G:
undetectable		 3d2tB-3cf4G:
18.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DAZ_A_MZMA263_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 10 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.28A 3dazA-1y7wA:
26.2		 3dazA-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DAZ_A_MZMA263_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 HIS A 117
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.93A 3dazA-1y7wA:
26.2		 3dazA-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DC3_A_AZMA263_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 12 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
VAL A 153
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
 1.47A 3dc3A-1y7wA:
26.2		 3dc3A-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DC3_A_AZMA263_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 12 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.27A 3dc3A-1y7wA:
26.2		 3dc3A-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DC3_A_AZMA263_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 12 HIS A 117
GLU A 122
VAL A 137
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.97A 3dc3A-1y7wA:
26.2		 3dc3A-1y7wA:
32.05
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.
3DCM_X_SAMX5452_0
(UNCHARACTERIZED
PROTEIN TM_1570)		 3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)
(Rhodobacter
sphaeroides) 		5 / 11 THR A  80
ALA A  82
GLY A 116
GLY A 121
LEU A 145
 BME  A 251 ( 4.4A)
BME  A 251 (-3.8A)
ACY  A 250 (-4.5A)
ACY  A 250 (-3.5A)
BME  A 251 ( 3.9A)
 0.73A 3dcmX-3onpA:
14.2		 3dcmX-3onpA:
21.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DCS_A_MZMA263_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 10 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.35A 3dcsA-1y7wA:
26.2		 3dcsA-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DCW_A_EZLA301_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 10 HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.24A 3dcwA-1y7wA:
26.2		 3dcwA-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DCW_A_EZLA301_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 HIS A 117
VAL A 137
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.95A 3dcwA-1y7wA:
26.2		 3dcwA-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DD0_A_EZLA301_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 10 HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.25A 3dd0A-1y7wA:
26.2		 3dd0A-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DD0_A_EZLA301_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 HIS A 115
VAL A 225
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
None
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 1.29A 3dd0A-1y7wA:
26.2		 3dd0A-1y7wA:
32.05
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.
3DD1_B_CFFB903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 2cb9 FENGYCIN SYNTHETASE
(Bacillus
subtilis) 		4 / 6 HIS A 201
ALA A 112
GLY A  82
TYR A  83
 ACY  A1225 (-3.9A)
None
None
None
 1.11A 3dd1B-2cb9A:
0.6		 3dd1B-2cb9A:
14.35
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.
3DH0_A_SAMA220_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 5hcf CALRETICULIN,
PUTATIVE,CALRETICULI
N, PUTATIVE
(Trypanosoma
cruzi) 		4 / 8 TYR A  74
ASP A 134
GLN A 139
GLU A 163
 None
ACY  A 402 (-3.4A)
None
None
 1.43A 3dh0A-5hcfA:
undetectable		 3dh0A-5hcfA:
25.35
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.
3DQT_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 7 TRP A  54
PHE A 301
SER A  53
VAL A 290
 None
None
ACY  A 702 ( 4.9A)
None
 1.38A 3dqtA-4f9dA:
undetectable
3dqtB-4f9dA:
undetectable		 3dqtA-4f9dA:
21.04
3dqtB-4f9dA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEO_A_SAMA328_1
(MODIFICATION
METHYLASE HHAI)		 2g39 ACETYL-COA HYDROLASE
(Pseudomonas
aeruginosa) 		3 / 3 GLU A 288
SER A  67
VAL A  90
 ACY  A 901 (-2.6A)
None
None
 0.85A 3eeoA-2g39A:
undetectable		 3eeoA-2g39A:
22.02
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.
3EEY_C_SAMC300_0
(PUTATIVE RRNA
METHYLASE)		 1ddk IMP-1 METALLO
BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		5 / 12 ASP A 170
ILE A 160
GLY A 156
ASN A 167
LEU A 165
 None
None
None
ACY  A 510 (-4.4A)
None
 1.15A 3eeyC-1ddkA:
undetectable		 3eeyC-1ddkA:
22.32
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.
3EEY_C_SAMC300_0
(PUTATIVE RRNA
METHYLASE)		 3dci ARYLESTERASE
(Agrobacterium
fabrum) 		5 / 12 GLY A  50
ASP A  91
LEU A  48
THR A  12
THR A 193
 ACY  A 220 (-3.7A)
None
None
None
None
 1.06A 3eeyC-3dciA:
2.8		 3eeyC-3dciA:
22.18
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.
3EEY_E_SAME300_0
(PUTATIVE RRNA
METHYLASE)		 3dci ARYLESTERASE
(Agrobacterium
fabrum) 		5 / 12 GLY A  50
ASP A  91
LEU A  48
THR A  12
THR A 193
 ACY  A 220 (-3.7A)
None
None
None
None
 0.99A 3eeyE-3dciA:
4.1		 3eeyE-3dciA:
22.18
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.
3EEY_F_SAMF300_0
(PUTATIVE RRNA
METHYLASE)		 3dci ARYLESTERASE
(Agrobacterium
fabrum) 		5 / 12 GLY A  50
ASP A  91
LEU A  48
THR A  12
THR A 193
 ACY  A 220 (-3.7A)
None
None
None
None
 1.01A 3eeyF-3dciA:
4.2		 3eeyF-3dciA:
22.18
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.
3ELZ_C_CHDC151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2g39 ACETYL-COA HYDROLASE
(Pseudomonas
aeruginosa) 		5 / 10 ILE A 204
ILE A 130
GLY A  35
PRO A  87
VAL A 114
 None
None
None
None
ACY  A 903 ( 4.8A)
 1.07A 3elzC-2g39A:
undetectable		 3elzC-2g39A:
13.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 12 GLN A 113
HIS A 115
HIS A 117
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.27A 3f4xA-1y7wA:
26.1		 3f4xA-1y7wA:
32.05
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.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3sql GLYCOSYL HYDROLASE
FAMILY 3
(Synechococcus
sp.
PCC
7002) 		5 / 12 SER A 204
GLY A 198
GLY A 196
ASN A 156
VAL A 158
 ACY  A 541 ( 3.8A)
None
None
None
None
 1.30A 3f8wB-3sqlA:
undetectable		 3f8wB-3sqlA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_A_TOPA200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 4jvs PUTATIVE
UNCHARACTERIZED
PROTEIN
(Legionella
drancourtii) 		5 / 10 ALA A 421
ILE A 547
LEU A 576
PHE A 544
TYR A 451
 None
ACY  A 701 (-4.4A)
ACY  A 701 ( 4.5A)
None
None
 1.14A 3fl9A-4jvsA:
undetectable		 3fl9A-4jvsA:
18.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FO7_A_IMNA301_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 1mh2 PHOSPHOLIPASE A2
(Naja
sagittifera) 		4 / 5 ASP A  49
TYR A  52
PRO A  63
LYS A  64
 ACY  A 302 (-3.4A)
None
None
ACY  A 302 (-2.7A)
 0.92A 3fo7A-1mh2A:
18.2		 3fo7A-1mh2A:
36.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FO7_A_IMNA301_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 1mh2 PHOSPHOLIPASE A2
(Naja
sagittifera) 		4 / 5 HIS A  48
ASP A  49
TYR A  52
PRO A  63
 ACY  A 302 (-3.4A)
ACY  A 302 (-3.4A)
None
None
 0.42A 3fo7A-1mh2A:
18.2		 3fo7A-1mh2A:
36.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FSU_A_C2FA995_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		 5ume 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE
(Haemophilus
influenzae) 		7 / 12 THR A  57
GLN A 181
LEU A 210
ASN A 214
THR A 225
TYR A 273
ARG A 277
 FAD  A 300 (-4.4A)
ACY  A 302 ( 3.9A)
None
None
None
ACY  A 302 ( 4.0A)
None
 0.69A 3fsuA-5umeA:
42.9		 3fsuA-5umeA:
72.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FSU_A_C2FA995_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		 5ume 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE
(Haemophilus
influenzae) 		7 / 12 THR A  57
GLN A 181
LEU A 210
ASN A 214
THR A 225
TYR A 273
LEU A 275
 FAD  A 300 (-4.4A)
ACY  A 302 ( 3.9A)
None
None
None
ACY  A 302 ( 4.0A)
None
 0.46A 3fsuA-5umeA:
42.9		 3fsuA-5umeA:
72.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FSU_E_C2FE995_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		 5ume 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE
(Haemophilus
influenzae) 		5 / 11 THR A  57
GLN A 181
THR A 225
TYR A 273
LEU A 275
 FAD  A 300 (-4.4A)
ACY  A 302 ( 3.9A)
None
ACY  A 302 ( 4.0A)
None
 0.42A 3fsuE-5umeA:
40.7		 3fsuE-5umeA:
72.45
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.
3FW3_A_ETSA302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 12 GLN A 113
HIS A 115
HIS A 117
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.34A 3fw3A-1y7wA:
23.6		 3fw3A-1y7wA:
28.44
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.
3FW3_B_ETSB303_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 12 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.28A 3fw3B-1y7wA:
23.6		 3fw3B-1y7wA:
28.44
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.
3FW3_B_ETSB303_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 12 GLN A 113
HIS A 115
HIS A 117
VAL A 137
LEU A 216
THR A 218
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
 1.47A 3fw3B-1y7wA:
23.6		 3fw3B-1y7wA:
28.44
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.
3GYQ_A_SAMA270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)		 2zfd PUTATIVE
UNCHARACTERIZED
PROTEIN T20L15_90
(Arabidopsis
thaliana) 		5 / 12 LEU B 362
ILE B 374
MET B 372
LEU B 353
ARG B 348
 None
None
None
None
ACY  B   2 (-4.2A)
 1.18A 3gyqA-2zfdB:
undetectable
3gyqB-2zfdB:
undetectable		 3gyqA-2zfdB:
18.94
3gyqB-2zfdB:
18.94
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.
3GYQ_B_SAMB270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)		 4jwg TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE
(Schizosaccharomy
ces
pombe) 		5 / 11 LEU A 183
ALA A 185
GLY A 203
LEU A 243
VAL A 245
 None
None
ACY  A 302 (-3.9A)
None
None
 0.62A 3gyqB-4jwgA:
9.1		 3gyqB-4jwgA:
21.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H1X_A_IMNA301_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 1mh2 PHOSPHOLIPASE A2
(Naja
sagittifera) 		5 / 5 HIS A  48
ASP A  49
TYR A  52
PRO A  63
LYS A  64
 ACY  A 302 (-3.4A)
ACY  A 302 (-3.4A)
None
None
ACY  A 302 (-2.7A)
 0.57A 3h1xA-1mh2A:
18.1		 3h1xA-1mh2A:
36.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCN_B_CHDB2_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3aii GLUTAMYL-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 LEU A  99
LEU A 131
ARG A 125
 None
ACY  A 601 (-3.9A)
None
 0.59A 3hcnB-3aiiA:
2.3		 3hcnB-3aiiA:
20.92
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.
3HCO_B_CHDB1_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1mk2 SMAD 3
(Homo
sapiens) 		4 / 4 LEU A 403
PRO A 402
LEU A 406
ARG A 367
 None
None
None
ACY  A   1 (-3.6A)
 1.34A 3hcoB-1mk2A:
undetectable		 3hcoB-1mk2A:
21.26
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.
3HJ3_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2
(Arabidopsis
thaliana) 		5 / 12 PHE A 134
SER A 137
THR A  53
TYR A  15
THR A 209
 ACY  A 800 (-4.5A)
ACY  A 800 (-3.0A)
None
None
None
 1.17A 3hj3A-2q42A:
undetectable		 3hj3A-2q42A:
19.29
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.
3HJ3_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2
(Arabidopsis
thaliana) 		5 / 12 PHE A 134
SER A 137
THR A  53
TYR A  15
THR A 209
 ACY  A 800 (-4.5A)
ACY  A 800 (-3.0A)
None
None
None
 1.12A 3hj3C-2q42A:
undetectable		 3hj3C-2q42A:
19.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HKU_A_TORA300_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 12 GLN A 113
HIS A 115
HIS A 117
VAL A 137
VAL A 153
LEU A 216
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
None
 0.19A 3hkuA-1y7wA:
26.2		 3hkuA-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HKU_A_TORA300_2
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		3 / 3 GLU A 122
HIS A 135
THR A 217
 ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-3.4A)
 0.10A 3hkuA-1y7wA:
26.2		 3hkuA-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HS4_A_AZMA701_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 11 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.18A 3hs4A-1y7wA:
26.3		 3hs4A-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HS4_A_AZMA701_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 HIS A 115
VAL A 225
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
None
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 1.31A 3hs4A-1y7wA:
26.3		 3hs4A-1y7wA:
32.05
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.
3IAI_A_AZMA263_1
(CARBONIC ANHYDRASE 9)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
 1.49A 3iaiA-1y7wA:
25.3		 3iaiA-1y7wA:
27.57
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.
3IAI_A_AZMA263_1
(CARBONIC ANHYDRASE 9)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 GLN A 113
HIS A 115
GLU A 133
VAL A 137
THR A 217
 None
ZN  A 283 ( 3.2A)
None
ACY  A 279 ( 4.7A)
ACY  A 279 (-3.4A)
 1.16A 3iaiA-1y7wA:
25.3		 3iaiA-1y7wA:
27.57
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.
3IAI_A_AZMA263_1
(CARBONIC ANHYDRASE 9)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.32A 3iaiA-1y7wA:
25.3		 3iaiA-1y7wA:
27.57
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.
3IAI_A_AZMA263_1
(CARBONIC ANHYDRASE 9)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.95A 3iaiA-1y7wA:
25.3		 3iaiA-1y7wA:
27.57
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.
3IAI_B_AZMB263_1
(CARBONIC ANHYDRASE 9)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
 1.49A 3iaiB-1y7wA:
25.5		 3iaiB-1y7wA:
27.57
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.
3IAI_B_AZMB263_1
(CARBONIC ANHYDRASE 9)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 GLN A 113
HIS A 115
GLU A 133
VAL A 137
THR A 217
 None
ZN  A 283 ( 3.2A)
None
ACY  A 279 ( 4.7A)
ACY  A 279 (-3.4A)
 1.17A 3iaiB-1y7wA:
25.5		 3iaiB-1y7wA:
27.57
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.
3IAI_B_AZMB263_1
(CARBONIC ANHYDRASE 9)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.31A 3iaiB-1y7wA:
25.5		 3iaiB-1y7wA:
27.57
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.
3IAI_B_AZMB263_1
(CARBONIC ANHYDRASE 9)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.93A 3iaiB-1y7wA:
25.5		 3iaiB-1y7wA:
27.57
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.
3IAI_C_AZMC263_1
(CARBONIC ANHYDRASE 9)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
 1.50A 3iaiC-1y7wA:
25.5		 3iaiC-1y7wA:
27.57
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.
3IAI_C_AZMC263_1
(CARBONIC ANHYDRASE 9)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 GLN A 113
HIS A 115
GLU A 133
VAL A 137
THR A 217
 None
ZN  A 283 ( 3.2A)
None
ACY  A 279 ( 4.7A)
ACY  A 279 (-3.4A)
 1.17A 3iaiC-1y7wA:
25.5		 3iaiC-1y7wA:
27.57
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.
3IAI_C_AZMC263_1
(CARBONIC ANHYDRASE 9)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.30A 3iaiC-1y7wA:
25.5		 3iaiC-1y7wA:
27.57
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.
3IAI_C_AZMC263_1
(CARBONIC ANHYDRASE 9)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.93A 3iaiC-1y7wA:
25.5		 3iaiC-1y7wA:
27.57
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.
3IAI_D_AZMD263_1
(CARBONIC ANHYDRASE 9)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
 1.49A 3iaiD-1y7wA:
25.6		 3iaiD-1y7wA:
27.57
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.
3IAI_D_AZMD263_1
(CARBONIC ANHYDRASE 9)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 GLN A 113
HIS A 115
GLU A 133
VAL A 137
THR A 217
 None
ZN  A 283 ( 3.2A)
None
ACY  A 279 ( 4.7A)
ACY  A 279 (-3.4A)
 1.17A 3iaiD-1y7wA:
25.6		 3iaiD-1y7wA:
27.57
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.
3IAI_D_AZMD263_1
(CARBONIC ANHYDRASE 9)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.31A 3iaiD-1y7wA:
25.6		 3iaiD-1y7wA:
27.57
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.
3IAI_D_AZMD263_1
(CARBONIC ANHYDRASE 9)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.92A 3iaiD-1y7wA:
25.6		 3iaiD-1y7wA:
27.57
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.
3JB2_A_SAMA1101_1
(STRUCTURAL PROTEIN
VP3)		 3hjj MALTOSE
O-ACETYLTRANSFERASE
(Bacillus
anthracis) 		3 / 3 GLU A 127
ASP A  17
ASP A  71
 ACY  A 188 ( 4.7A)
None
None
 0.71A 3jb2A-3hjjA:
undetectable		 3jb2A-3hjjA:
11.64
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.
3JZJ_A_ACRA405_1
(ACARBOSE/MALTOSE
BINDING PROTEIN GACH)		 4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN
(Bordetella
pertussis) 		5 / 12 GLU A 134
GLY A 239
ASP A 214
GLY A  81
ASN A  17
 None
None
None
ACY  A 401 (-3.6A)
None
 1.28A 3jzjA-4mptA:
undetectable		 3jzjA-4mptA:
23.59
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.
3KCX_A_CQLA1_0
(HYPOXIA-INDUCIBLE
FACTOR 1-ALPHA
INHIBITOR)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 10 LEU A 180
THR A  95
HIS A  98
ILE A 169
HIS A 175
 None
ACY  A 506 ( 3.0A)
GOL  A 700 ( 4.2A)
None
GOL  A 700 (-4.1A)
 1.43A 3kcxA-1zx5A:
3.9		 3kcxA-1zx5A:
22.28
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.
3KEC_A_HAEA272_1
(COLLAGENASE 3)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 5 HIS A 268
GLU A 110
HIS A 278
HIS A 266
 ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 0.98A 3kecA-1xcrA:
undetectable		 3kecA-1xcrA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KMO_B_EAAB213_1
(GLUTATHIONE
S-TRANSFERASE P)		 3nkg UNCHARACTERIZED
PROTEIN
GEBA250068378
(Sulfurospirillum
deleyianum) 		4 / 7 TYR A  88
VAL A  94
ASN A 123
GLY A 122
 None
None
ACY  A 175 (-3.1A)
None
 1.14A 3kmoB-3nkgA:
undetectable		 3kmoB-3nkgA:
20.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3KWA_A_SPMA300_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 11 GLN A 113
HIS A 115
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.30A 3kwaA-1y7wA:
26.1		 3kwaA-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3KWA_A_SPMA300_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 115
HIS A 135
LEU A 216
THR A 217
PRO A 219
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
None
 1.44A 3kwaA-1y7wA:
26.1		 3kwaA-1y7wA:
32.05
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.
3L4W_A_MIGA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2
(Arabidopsis
thaliana) 		5 / 12 TYR A 171
ASP A  11
ASP A  58
ASP A 131
PHE A 134
 ACY  A 800 ( 4.6A)
None
FE  A 701 (-2.6A)
FE  A 701 ( 2.4A)
ACY  A 800 (-4.5A)
 1.31A 3l4wA-2q42A:
undetectable		 3l4wA-2q42A:
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.
3LIK_A_HAEA302_1
(MACROPHAGE
METALLOELASTASE)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 5 HIS A 268
GLU A 110
HIS A 278
HIS A 266
 ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 0.95A 3likA-1xcrA:
undetectable		 3likA-1xcrA:
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.
3LIL_A_HAEA302_1
(MACROPHAGE
METALLOELASTASE)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 4 HIS A 268
GLU A 110
HIS A 278
HIS A 266
 ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 0.95A 3lilA-1xcrA:
undetectable		 3lilA-1xcrA:
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.
3LJG_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 5 HIS A 268
GLU A 110
HIS A 278
HIS A 266
 ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 0.93A 3ljgA-1xcrA:
undetectable		 3ljgA-1xcrA:
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.
3LKA_A_HAEA269_1
(MACROPHAGE
METALLOELASTASE)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 5 HIS A 268
GLU A 110
HIS A 278
HIS A 266
 ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 0.95A 3lkaA-1xcrA:
undetectable		 3lkaA-1xcrA:
19.43
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.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		 1yht DSPB
(Aggregatibacter
actinomycetemcom
itans) 		10 / 12 ARG A  27
HIS A  53
ASP A  56
ASP A 116
HIS A 120
ASP A 183
TRP A 237
TYR A 278
TRP A 330
GLU A 332
 GOL  A 751 (-3.2A)
None
None
None
None
ACY  A 750 (-3.5A)
ACY  A 750 (-3.4A)
ACY  A 750 (-4.6A)
GOL  A 751 ( 4.0A)
GOL  A 751 (-2.9A)
 0.60A 3lmyA-1yhtA:
29.1		 3lmyA-1yhtA:
21.95
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.
3LMY_B_CP6B563_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		 1yht DSPB
(Aggregatibacter
actinomycetemcom
itans) 		12 / 12 ARG A  27
HIS A  53
ASP A  56
ASP A 116
HIS A 120
ASP A 183
GLU A 184
TRP A 216
TRP A 237
TYR A 278
TRP A 330
GLU A 332
 GOL  A 751 (-3.2A)
None
None
None
None
ACY  A 750 (-3.5A)
ACY  A 750 ( 3.8A)
ACY  A 750 (-3.2A)
ACY  A 750 (-3.4A)
ACY  A 750 (-4.6A)
GOL  A 751 ( 4.0A)
GOL  A 751 (-2.9A)
 0.57A 3lmyB-1yhtA:
29.1		 3lmyB-1yhtA:
21.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LXE_A_TORA262_1
(CARBONIC ANHYDRASE 1)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 12 GLN A 113
HIS A 115
HIS A 117
VAL A 153
LEU A 216
THR A 217
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.46A 3lxeA-1y7wA:
25.2		 3lxeA-1y7wA:
30.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LXE_B_TORB262_1
(CARBONIC ANHYDRASE 1)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 12 GLN A 113
HIS A 115
HIS A 117
VAL A 153
LEU A 216
THR A 217
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.45A 3lxeB-1y7wA:
25.1		 3lxeB-1y7wA:
30.94
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.
3LZV_A_017A200_1
(HIV-1 PROTEASE)		 4l0c DEFORMYLASE
(Pseudomonas
putida) 		5 / 10 GLY A  58
ASP A  55
ILE A  28
GLY A  30
ILE A  31
 None
None
None
ACY  A 301 (-3.6A)
None
 0.96A 3lzvA-4l0cA:
undetectable		 3lzvA-4l0cA:
16.74
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.
3MDZ_A_EZLA264_1
(CARBONIC ANHYDRASE 7)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 11 HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.24A 3mdzA-1y7wA:
25.8		 3mdzA-1y7wA:
29.58
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.
3MDZ_A_EZLA264_1
(CARBONIC ANHYDRASE 7)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.88A 3mdzA-1y7wA:
25.8		 3mdzA-1y7wA:
29.58
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.
3MIH_A_CUA358_0
(PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE)		 4l0c DEFORMYLASE
(Pseudomonas
putida) 		3 / 3 HIS A 238
HIS A  93
MET A 239
 None
None
ACY  A 301 (-3.3A)
 0.82A 3mihA-4l0cA:
undetectable		 3mihA-4l0cA:
20.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ML5_A_AZMA264_1
(CARBONIC ANHYDRASE 7)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 11 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.28A 3ml5A-1y7wA:
26.3		 3ml5A-1y7wA:
30.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ML5_A_AZMA264_1
(CARBONIC ANHYDRASE 7)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 117
HIS A 115
VAL A 137
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 1.44A 3ml5A-1y7wA:
26.3		 3ml5A-1y7wA:
30.32
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.
3MNE_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ASN A 242
GLY A 312
GLN A 316
LEU A  95
ILE A 265
 ILP  A 400 (-3.5A)
ILP  A 400 (-3.5A)
None
ACY  A1005 ( 4.8A)
None
 1.30A 3mneA-1kt8A:
undetectable		 3mneA-1kt8A:
22.07
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.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE
(Klebsiella
aerogenes) 		6 / 12 SER A  65
LYS A  68
ASN A 153
GLY A 314
THR A 316
ARG A 346
 None
None
None
None
ACY  A1402 (-4.3A)
None
 1.07A 3mzeA-1zkjA:
15.0		 3mzeA-1zkjA:
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.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE
(Klebsiella
aerogenes) 		6 / 12 SER A  65
LYS A  68
ASN A 153
THR A 313
GLY A 314
THR A 316
 None
None
None
None
None
ACY  A1402 (-4.3A)
 0.80A 3mzeA-1zkjA:
15.0		 3mzeA-1zkjA:
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.
3NK7_A_SAMA770_0
(23S RRNA
METHYLTRANSFERASE)		 2i6d RNA
METHYLTRANSFERASE,
TRMH FAMILY
(Porphyromonas
gingivalis) 		6 / 12 ASN A 113
GLY A 203
GLY A 208
ILE A 223
ASN A 238
VAL A 239
 ACY  A 301 (-4.0A)
None
None
None
None
None
 0.44A 3nk7A-2i6dA:
22.0		 3nk7A-2i6dA:
28.34
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.
3NK7_B_SAMB770_0
(23S RRNA
METHYLTRANSFERASE)		 2i6d RNA
METHYLTRANSFERASE,
TRMH FAMILY
(Porphyromonas
gingivalis) 		6 / 12 ASN A 113
GLY A 203
GLY A 208
ILE A 223
LEU A 237
VAL A 239
 ACY  A 301 (-4.0A)
None
None
None
None
None
 0.47A 3nk7B-2i6dA:
22.8		 3nk7B-2i6dA:
28.34
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.
3NK7_B_SAMB770_0
(23S RRNA
METHYLTRANSFERASE)		 3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)
(Rhodobacter
sphaeroides) 		5 / 12 ASN A  17
PHE A 115
GLY A 116
GLY A 121
LEU A 145
 CL  A 253 (-4.4A)
None
ACY  A 250 (-4.5A)
ACY  A 250 (-3.5A)
BME  A 251 ( 3.9A)
 0.91A 3nk7B-3onpA:
16.5		 3nk7B-3onpA:
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.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 3we7 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0499
(Pyrococcus
horikoshii) 		4 / 6 GLN A 223
HIS A 152
HIS A 155
ASP A  46
 GOL  A 302 ( 4.6A)
GOL  A 302 (-3.9A)
ZN  A 301 ( 3.3A)
ACY  A 303 (-3.0A)
 1.09A 3nvcA-3we7A:
undetectable		 3nvcA-3we7A:
22.37
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.
3O7W_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2
(Arabidopsis
thaliana) 		3 / 3 LYS A 251
ARG A 248
ASP A  11
 ACY  A 800 (-3.1A)
ACY  A 800 (-3.2A)
None
 1.35A 3o7wA-2q42A:
undetectable		 3o7wA-2q42A:
24.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OSH_A_OINA5811_1
(PHOSPHOLIPASE A2
ISOFORM 3)		 1mh2 PHOSPHOLIPASE A2
(Naja
sagittifera) 		6 / 9 PHE A   5
ILE A   9
TRP A  19
PHE A  22
GLY A  30
HIS A  48
 None
None
None
None
None
ACY  A 302 (-3.4A)
 0.67A 3oshA-1mh2A:
23.0		 3oshA-1mh2A:
76.47
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.
3OU7_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3fsx TETRAHYDRODIPICOLINA
TE
N-SUCCINYLTRANSFERAS
E
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 247
GLY A 245
SER A 219
MET A 221
LEU A 260
 None
None
ACY  A 331 (-2.6A)
None
None
 1.18A 3ou7A-3fsxA:
undetectable		 3ou7A-3fsxA:
26.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_D_SAMD300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3fsx TETRAHYDRODIPICOLINA
TE
N-SUCCINYLTRANSFERAS
E
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 247
GLY A 245
SER A 219
MET A 221
LEU A 260
 None
None
ACY  A 331 (-2.6A)
None
None
 1.19A 3ou7D-3fsxA:
undetectable		 3ou7D-3fsxA:
26.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZK_B_T44B128_1
(TRANSTHYRETIN)		 3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT
ACETYL-COA
DECARBOXYLASE/SYNTHA
SE EPSILON SUBUNIT
(Methanosarcina
barkeri) 		4 / 7 ALA G 127
LEU G 125
THR A  70
VAL A  68
 ACY  A 821 (-3.6A)
PEG  G 173 ( 4.0A)
None
ACY  A 821 ( 4.3A)
 0.64A 3ozkB-3cf4G:
undetectable		 3ozkB-3cf4G:
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.
3PS9_A_SAMA670_0
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		 3giu PYRROLIDONE-CARBOXYL
ATE PEPTIDASE
(Staphylococcus
aureus) 		5 / 12 GLU A  78
PHE A 139
GLY A  67
PHE A   8
ASN A  17
 None
None
ACY  A 214 (-3.6A)
ACY  A 214 (-4.2A)
ACY  A 214 (-3.2A)
 1.33A 3ps9A-3giuA:
2.8		 3ps9A-3giuA:
15.13
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.
3QXY_A_SAMA6734_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 5gw8 HYPOTHETICAL
SECRETORY LIPASE
(FAMILY 3)
(Malassezia
globosa) 		5 / 12 ALA A 174
GLY A 173
ALA A  47
HIS A 221
LEU A 220
 None
None
None
ACY  A 405 (-4.1A)
None
 1.08A 3qxyA-5gw8A:
undetectable		 3qxyA-5gw8A:
22.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R0L_D_ACTD127_0
(PHOSPHOLIPASE A2 CB)		 1mh2 PHOSPHOLIPASE A2
(Naja
sagittifera) 		4 / 5 PHE A   5
ILE A   9
GLY A  30
HIS A  48
 None
None
None
ACY  A 302 (-3.4A)
 0.59A 3r0lD-1mh2A:
18.9		 3r0lD-1mh2A:
37.50
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.
3R24_A_SAMA302_0
(2'-O-METHYL
TRANSFERASE)		 3u37 ACETYL-XYLAN
ESTERASE EST2A
(Butyrivibrio
proteoclasticus) 		5 / 12 ASN A 245
GLY A 140
SER A 142
GLY A 243
LEU A 183
 ACY  A 401 (-2.9A)
None
ACY  A 401 (-2.8A)
None
None
 1.46A 3r24A-3u37A:
undetectable		 3r24A-3u37A:
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.
3RC0_B_SAMB480_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 5gw8 HYPOTHETICAL
SECRETORY LIPASE
(FAMILY 3)
(Malassezia
globosa) 		5 / 12 ALA A 174
GLY A 173
ALA A  47
HIS A 221
LEU A 220
 None
None
None
ACY  A 405 (-4.1A)
None
 1.08A 3rc0B-5gw8A:
undetectable		 3rc0B-5gw8A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S8P_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 2cb9 FENGYCIN SYNTHETASE
(Bacillus
subtilis) 		5 / 12 GLY A 199
ALA A 200
SER A  84
TYR A 113
PHE A 166
 None
None
ACY  A1225 (-2.5A)
None
None
 0.98A 3s8pA-2cb9A:
undetectable		 3s8pA-2cb9A:
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.
3S8P_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 2cb9 FENGYCIN SYNTHETASE
(Bacillus
subtilis) 		5 / 12 GLY A 199
ALA A 200
SER A  84
TYR A 113
PHE A 166
 None
None
ACY  A1225 (-2.5A)
None
None
 0.99A 3s8pB-2cb9A:
undetectable		 3s8pB-2cb9A:
21.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SI7_A_ACTA4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 1xfa CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR
(Mus
musculus) 		4 / 4 LEU A 541
GLY A 542
GLY A 545
THR A 547
 ACY  A   7 (-4.2A)
ACY  A   7 (-3.3A)
ACY  A   7 (-3.0A)
ACY  A   7 ( 3.1A)
 0.17A 3si7A-1xfaA:
43.8		 3si7A-1xfaA:
99.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SI7_A_ACTA5_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 1xfa CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR
(Mus
musculus) 		3 / 3 LYS A 532
SER A 549
GLN A 552
 ACY  A   9 (-2.5A)
ACY  A   9 ( 3.5A)
ACY  A   9 ( 3.9A)
 0.31A 3si7A-1xfaA:
43.8		 3si7A-1xfaA:
99.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SI7_B_ACTB4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 1xfa CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR
(Mus
musculus) 		3 / 3 GLY A 542
GLY A 545
THR A 547
 ACY  A   7 (-3.3A)
ACY  A   7 (-3.0A)
ACY  A   7 ( 3.1A)
 0.12A 3si7B-1xfaA:
27.7		 3si7B-1xfaA:
99.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SI7_D_ACTD4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 1xfa CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR
(Mus
musculus) 		4 / 5 LEU A 541
GLY A 542
GLY A 545
THR A 547
 ACY  A   7 (-4.2A)
ACY  A   7 (-3.3A)
ACY  A   7 (-3.0A)
ACY  A   7 ( 3.1A)
 0.19A 3si7C-1xfaA:
42.6
3si7D-1xfaA:
43.3		 3si7C-1xfaA:
99.65
3si7D-1xfaA:
99.65
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.
3SJ1_X_DXCX75_0
(CYTOCHROME C7)		 4ll6 MYOSIN-4
(Saccharomyces
cerevisiae) 		4 / 6 ILE A1362
LEU A1383
PHE A1313
MET A1431
 ACY  A1502 ( 4.7A)
None
None
None
 1.05A 3sj1X-4ll6A:
undetectable		 3sj1X-4ll6A:
11.23
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.
3SUD_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 2p18 GLYOXALASE II
(Leishmania
infantum) 		5 / 12 HIS A 210
GLY A 209
ASP A  80
GLY A 172
PHE A 175
 ZN  A 301 ( 3.3A)
None
ZN  A 301 ( 2.7A)
SPD  A 304 ( 4.2A)
ACY  A1022 (-4.9A)
 1.13A 3sudB-2p18A:
undetectable		 3sudB-2p18A:
22.06
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.
3T3S_B_9PLB1_1
(CYTOCHROME P450 2A13)		 3eyt UNCHARACTERIZED
PROTEIN SPOA0173
(Ruegeria
pomeroyi) 		4 / 6 PHE A  91
PHE A  33
ALA A  32
THR A  67
 ACY  A 202 (-4.9A)
None
None
None
 1.15A 3t3sB-3eytA:
undetectable		 3t3sB-3eytA:
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.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		 3rnr STAGE II SPORULATION
E FAMILY PROTEIN
(Thermanaerovibri
o
acidaminovorans) 		4 / 7 ASN A 138
ILE A 136
PHE A 133
GLN A  51
 None
None
None
ACY  A 213 ( 4.5A)
 1.28A 3tvxB-3rnrA:
undetectable		 3tvxB-3rnrA:
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.
3UBO_A_ADNA353_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		9 / 12 ASN A  20
ILE A  22
ASP A  24
GLY A  68
GLY A  69
SER A  70
ASN A  73
GLY A 315
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 ( 4.3A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
CL  A 385 (-4.7A)
ADN  A 375 ( 4.9A)
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.73A 3uboA-1dgmA:
35.4		 3uboA-1dgmA:
28.21
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.
3UBO_A_ADNA353_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		9 / 12 ILE A  22
ASP A  24
GLY A  68
GLY A  69
SER A  70
ASN A  73
THR A 140
GLY A 315
ASP A 318
 ADN  A 375 ( 4.3A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
CL  A 385 (-4.7A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.9A)
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.73A 3uboA-1dgmA:
35.4		 3uboA-1dgmA:
28.21
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.
3UGR_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		4 / 7 TYR A 102
GLU A 247
GLN A  78
TYR A  92
 None
None
None
ACY  B 305 (-4.4A)
 1.22A 3ugrA-4zohA:
undetectable		 3ugrA-4zohA:
19.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		8 / 12 ASN A  20
ASP A  24
GLY A  68
GLY A  69
ASN A  73
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.68A 3uq6A-1dgmA:
41.5		 3uq6A-1dgmA:
31.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		9 / 12 ASP A  24
LEU A  46
GLY A  68
GLY A  69
ASN A  73
THR A 140
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 (-2.9A)
None
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.74A 3uq6A-1dgmA:
41.5		 3uq6A-1dgmA:
31.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UQ6_B_ADNB401_1
(ADENOSINE KINASE,
PUTATIVE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		7 / 12 ASN A  20
ASP A  24
GLY A  69
ASN A  73
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 (-2.9A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.65A 3uq6B-1dgmA:
41.1		 3uq6B-1dgmA:
31.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UQ6_B_ADNB401_1
(ADENOSINE KINASE,
PUTATIVE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		8 / 12 ASP A  24
LEU A  46
GLY A  69
ASN A  73
THR A 140
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 (-2.9A)
None
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.72A 3uq6B-1dgmA:
41.1		 3uq6B-1dgmA:
31.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UY4_A_PAUA302_0
(PANTOTHENATE
SYNTHETASE)		 3ag6 PANTOTHENATE
SYNTHETASE
(Staphylococcus
aureus) 		6 / 8 ARG A 122
HIS A 125
VAL A 129
VAL A 133
ASP A 151
ARG A 188
 ACY  A 801 (-3.2A)
ACY  A 801 (-4.3A)
PAJ  A 501 ( 4.5A)
None
PAJ  A 501 (-3.8A)
ACY  A 801 (-3.2A)
 1.39A 3uy4A-3ag6A:
41.2		 3uy4A-3ag6A:
43.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UY4_A_PAUA302_0
(PANTOTHENATE
SYNTHETASE)		 3ag6 PANTOTHENATE
SYNTHETASE
(Staphylococcus
aureus) 		8 / 8 GLN A  62
ARG A 122
HIS A 125
VAL A 129
VAL A 132
ASP A 151
GLN A 154
ARG A 188
 PAJ  A 501 ( 2.9A)
ACY  A 801 (-3.2A)
ACY  A 801 (-4.3A)
PAJ  A 501 ( 4.5A)
None
PAJ  A 501 (-3.8A)
PAJ  A 501 (-3.1A)
ACY  A 801 (-3.2A)
 0.15A 3uy4A-3ag6A:
41.2		 3uy4A-3ag6A:
43.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3V2J_A_AZMA302_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 11 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.20A 3v2jA-1y7wA:
26.2		 3v2jA-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3V2J_A_AZMA302_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 HIS A 115
VAL A 225
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
None
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 1.28A 3v2jA-1y7wA:
26.2		 3v2jA-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3V2J_A_AZMA302_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 HIS A 117
VAL A 137
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.92A 3v2jA-1y7wA:
26.2		 3v2jA-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3V2M_A_AZMA303_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 10 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.22A 3v2mA-1y7wA:
26.2		 3v2mA-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3V2M_A_AZMA303_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 HIS A 117
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.92A 3v2mA-1y7wA:
26.2		 3v2mA-1y7wA:
32.05
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.
3V8V_A_SAMA802_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		6 / 9 PHE A 140
TYR A 142
ASP A 161
SER A 163
ASP A 190
PRO A 213
 SAM  A1001 (-4.4A)
FMT  A1013 ( 4.7A)
SAM  A1001 (-2.9A)
ACY  A1008 ( 2.6A)
SAM  A1001 (-3.7A)
SAM  A1001 (-3.2A)
 0.63A 3v8vA-2igtA:
20.1		 3v8vA-2igtA:
18.74
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.
3V8V_B_SAMB802_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		6 / 12 PHE A 140
TYR A 142
SER A 163
ASP A 190
ASP A 211
PRO A 213
 SAM  A1001 (-4.4A)
FMT  A1013 ( 4.7A)
ACY  A1008 ( 2.6A)
SAM  A1001 (-3.7A)
SAM  A1001 (-2.8A)
SAM  A1001 (-3.2A)
 0.76A 3v8vB-2igtA:
20.6		 3v8vB-2igtA:
18.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAQ_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		8 / 12 ASN A  20
ASP A  24
GLY A  68
GLY A  69
ASN A  73
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.66A 3vaqA-1dgmA:
41.2		 3vaqA-1dgmA:
31.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAQ_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		9 / 12 ASP A  24
LEU A  46
GLY A  68
GLY A  69
ASN A  73
THR A 140
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 (-2.9A)
None
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.75A 3vaqA-1dgmA:
41.2		 3vaqA-1dgmA:
31.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAQ_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		7 / 12 ASN A  20
ASP A  24
GLY A  69
ASN A  73
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 (-2.9A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.62A 3vaqB-1dgmA:
41.0		 3vaqB-1dgmA:
31.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAQ_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		8 / 12 ASP A  24
LEU A  46
GLY A  69
ASN A  73
THR A 140
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 (-2.9A)
None
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.72A 3vaqB-1dgmA:
41.0		 3vaqB-1dgmA:
31.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAS_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		8 / 12 ASN A  20
ASP A  24
GLY A  68
GLY A  69
ASN A  73
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.64A 3vasA-1dgmA:
41.4		 3vasA-1dgmA:
31.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAS_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		9 / 12 ASP A  24
LEU A  46
GLY A  68
GLY A  69
ASN A  73
THR A 140
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 (-2.9A)
None
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.72A 3vasA-1dgmA:
41.4		 3vasA-1dgmA:
31.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAS_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		8 / 12 ASN A  20
ASP A  24
GLY A  68
GLY A  69
ASN A  73
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.60A 3vasB-1dgmA:
40.8		 3vasB-1dgmA:
31.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAS_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		8 / 12 ASP A  24
LEU A  46
GLY A  68
GLY A  69
ASN A  73
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 (-2.9A)
None
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.71A 3vasB-1dgmA:
40.8		 3vasB-1dgmA:
31.22
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.
3VET_A_TOYA604_1
(O-CARBAMOYLTRANSFERA
SE TOBZ)		 1yht DSPB
(Aggregatibacter
actinomycetemcom
itans) 		5 / 9 ASP A  24
TYR A 278
GLU A 184
ASP A 242
ASP A  56
 None
ACY  A 750 (-4.6A)
ACY  A 750 ( 3.8A)
None
None
 1.48A 3vetA-1yhtA:
0.0		 3vetA-1yhtA:
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.
3VM4_A_IZPA1_1
(FATTY ACID
ALPHA-HYDROXYLASE)		 3na2 UNCHARACTERIZED
PROTEIN
(Leptospirillum
rubarum) 		4 / 5 LEU A  14
PHE A  17
ARG A  18
ALA A  40
 None
None
None
ACY  A 151 (-4.4A)
 0.93A 3vm4A-3na2A:
undetectable		 3vm4A-3na2A:
19.12
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.
3VRM_A_VD3A502_1
(VITAMIN D(3)
25-HYDROXYLASE)		 2g39 ACETYL-COA HYDROLASE
(Pseudomonas
aeruginosa) 		5 / 12 ILE A 178
ILE A 155
ALA A 154
PRO A 336
ILE A 339
 None
ACY  A 903 (-3.5A)
None
None
None
 0.98A 3vrmA-2g39A:
undetectable		 3vrmA-2g39A:
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.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404
(Pyrococcus
horikoshii) 		5 / 12 ALA A 342
ASN A 341
ASP A 260
ASP A 217
HIS A 618
 None
ACY  A 658 (-3.4A)
ZN  A 665 ( 2.9A)
None
ZN  A 665 ( 3.3A)
 1.28A 3w37A-3af5A:
undetectable		 3w37A-3af5A:
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.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3i1l HEMAGGLUTININ-ESTERA
SE PROTEIN
(Porcine
torovirus) 		5 / 12 ASP A  60
ALA A  46
ASN A  52
ILE A 308
ASP A  45
 None
ACY  A2001 (-3.2A)
None
None
ACY  A2001 (-4.1A)
 1.09A 3w37A-3i1lA:
undetectable		 3w37A-3i1lA:
16.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3W6H_A_AZMA303_1
(CARBONIC ANHYDRASE 1)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 8 GLN A 113
HIS A 115
HIS A 117
HIS A 135
LEU A 216
THR A 217
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.39A 3w6hA-1y7wA:
25.2		 3w6hA-1y7wA:
30.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3W6H_B_AZMB303_1
(CARBONIC ANHYDRASE 1)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 9 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
LEU A 216
THR A 217
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.38A 3w6hB-1y7wA:
25.2		 3w6hB-1y7wA:
30.94
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.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404
(Pyrococcus
horikoshii) 		5 / 12 ALA A 342
ASN A 341
ASP A 260
ASP A 217
HIS A 618
 None
ACY  A 658 (-3.4A)
ZN  A 665 ( 2.9A)
None
ZN  A 665 ( 3.3A)
 1.29A 3welA-3af5A:
undetectable		 3welA-3af5A:
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.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3i1l HEMAGGLUTININ-ESTERA
SE PROTEIN
(Porcine
torovirus) 		5 / 12 ASP A  60
ALA A  46
ASN A  52
ILE A 308
ASP A  45
 None
ACY  A2001 (-3.2A)
None
None
ACY  A2001 (-4.1A)
 1.13A 3welA-3i1lA:
undetectable		 3welA-3i1lA:
16.61
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.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404
(Pyrococcus
horikoshii) 		5 / 12 ALA A 342
ASN A 341
ASP A 260
ASP A 217
HIS A 618
 None
ACY  A 658 (-3.4A)
ZN  A 665 ( 2.9A)
None
ZN  A 665 ( 3.3A)
 1.30A 3wemA-3af5A:
2.1		 3wemA-3af5A:
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.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404
(Pyrococcus
horikoshii) 		5 / 12 ALA A 342
ASN A 341
ASP A 260
ASP A 217
HIS A 618
 None
ACY  A 658 (-3.4A)
ZN  A 665 ( 2.9A)
None
ZN  A 665 ( 3.3A)
 1.30A 3wenA-3af5A:
2.1		 3wenA-3af5A:
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.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404
(Pyrococcus
horikoshii) 		5 / 12 ALA A 342
ASN A 341
ASP A 260
ASP A 217
HIS A 618
 None
ACY  A 658 (-3.4A)
ZN  A 665 ( 2.9A)
None
ZN  A 665 ( 3.3A)
 1.31A 3weoA-3af5A:
undetectable		 3weoA-3af5A:
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.
3WIP_G_ACTG305_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 1fu1 DNA REPAIR PROTEIN
XRCC4
(Homo
sapiens) 		3 / 3 ASP A 132
ARG A   3
LYS A 129
 CAS  A 128 ( 3.1A)
ACY  A 504 (-2.8A)
CAS  A 130 ( 1.3A)
 1.18A 3wipG-1fu1A:
0.0		 3wipG-1fu1A:
22.18
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.
3ZNC_A_BZ1A500_1
(CARBONIC ANHYDRASE
IV)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 10 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.39A 3zncA-1y7wA:
23.3		 3zncA-1y7wA:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZOA_A_ACRA1587_2
(TREHALOSE
SYNTHASE/AMYLASE
TRES)		 3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT
(Methanosarcina
barkeri) 		3 / 3 ARG A 571
PHE A 572
PRO A 573
 ACY  A 817 (-4.0A)
ACY  A 817 ( 4.4A)
None
 0.72A 3zoaB-3cf4A:
undetectable		 3zoaB-3cf4A:
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.
3ZOD_A_HQEA1173_1
(FMN-BINDING PROTEIN)		 5lmc ANAEROBIC NITRIC
OXIDE REDUCTASE
FLAVORUBREDOXIN
(Escherichia
coli) 		4 / 7 HIS A  23
ASP A  52
HIS A 171
HIS A  53
 PO4  A 503 ( 4.2A)
None
PO4  A 503 (-4.5A)
ACY  A 506 (-4.1A)
 1.35A 3zodA-5lmcA:
undetectable		 3zodA-5lmcA:
15.87
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.
3ZQT_A_TESA1000_1
(ANDROGEN RECEPTOR)		 3u37 ACETYL-XYLAN
ESTERASE EST2A
(Butyrivibrio
proteoclasticus) 		5 / 12 LEU A 242
ASN A 241
MET A 163
THR A 244
MET A 308
 None
None
None
ACY  A 401 ( 4.5A)
None
 1.39A 3zqtA-3u37A:
undetectable		 3zqtA-3u37A:
21.11
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.
4A7B_A_HAEA1273_1
(COLLAGENASE 3)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		5 / 6 LEU A  68
HIS A 268
GLU A 110
HIS A 278
HIS A 266
 None
ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 1.19A 4a7bA-1xcrA:
undetectable		 4a7bA-1xcrA:
18.67
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.
4A7B_B_HAEB1270_1
(COLLAGENASE 3)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 5 LEU A  68
HIS A 268
GLU A 110
HIS A 278
 None
ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
 1.08A 4a7bB-1xcrA:
undetectable		 4a7bB-1xcrA:
18.67
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.
4A7B_B_HAEB1270_1
(COLLAGENASE 3)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 5 LEU A  68
HIS A 278
GLU A 110
HIS A 217
 None
ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
None
 1.09A 4a7bB-1xcrA:
undetectable		 4a7bB-1xcrA:
18.67
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.
4A7B_B_HAEB1270_1
(COLLAGENASE 3)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 5 LEU A 157
HIS A 278
GLU A 110
HIS A 217
 ACY  A2001 (-4.7A)
ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
None
 1.29A 4a7bB-1xcrA:
undetectable		 4a7bB-1xcrA:
18.67
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.
4A9K_A_TYLA2200_1
(CREB-BINDING PROTEIN)		 3dew TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY
(Geobacter
sulfurreducens) 		4 / 6 LEU A 128
ILE A 125
ASN A 159
VAL A 158
 None
None
ACY  A 209 (-3.4A)
None
 0.86A 4a9kA-3dewA:
undetectable		 4a9kA-3dewA:
21.95
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.
4AQ7_A_LEUA902_0
(LEUCINE--TRNA LIGASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		4 / 7 LEU A 216
GLU A 133
HIS A 135
HIS A 115
 ACY  A 279 (-4.3A)
None
ZN  A 283 ( 3.1A)
ZN  A 283 ( 3.2A)
 1.27A 4aq7A-1y7wA:
undetectable		 4aq7A-1y7wA:
15.66
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.
4B53_B_ACTB1445_0
(IG GAMMA-4 CHAIN C
REGION)		 3u37 ACETYL-XYLAN
ESTERASE EST2A
(Butyrivibrio
proteoclasticus) 		3 / 3 GLU A 147
GLY A 148
SER A 142
 None
None
ACY  A 401 (-2.8A)
 0.55A 4b53B-3u37A:
2.7		 4b53B-3u37A:
13.54
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.
4BUP_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 2cb9 FENGYCIN SYNTHETASE
(Bacillus
subtilis) 		5 / 12 GLY A 199
ALA A 200
SER A  84
TYR A 113
PHE A 166
 None
None
ACY  A1225 (-2.5A)
None
None
 1.00A 4bupA-2cb9A:
undetectable		 4bupA-2cb9A:
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.
4BUP_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 2cb9 FENGYCIN SYNTHETASE
(Bacillus
subtilis) 		5 / 12 GLY A 199
ALA A 200
SER A  84
TYR A 113
PHE A 166
 None
None
ACY  A1225 (-2.5A)
None
None
 0.98A 4bupB-2cb9A:
0.0		 4bupB-2cb9A:
22.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1D_A_X8ZA350_1
(BETA-LACTAMASE CLASS
B VIM-2)		 1ddk IMP-1 METALLO
BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 9 HIS A  79
ASP A  81
HIS A 139
CYH A 158
ASN A 167
HIS A 197
 ZN  A 500 (-3.4A)
ZN  A 501 ( 2.7A)
ZN  A 500 (-3.3A)
ZN  A 501 ( 2.4A)
ACY  A 510 (-4.4A)
ZN  A 501 ( 3.4A)
 0.37A 4c1dA-1ddkA:
31.4		 4c1dA-1ddkA:
33.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1D_B_X8ZB350_1
(BETA-LACTAMASE CLASS
B VIM-2)		 1ddk IMP-1 METALLO
BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 10 HIS A  77
HIS A  79
ASP A  81
HIS A 139
CYH A 158
ASN A 167
HIS A 197
 ZN  A 500 (-3.4A)
ZN  A 500 (-3.4A)
ZN  A 501 ( 2.7A)
ZN  A 500 (-3.3A)
ZN  A 501 ( 2.4A)
ACY  A 510 (-4.4A)
ZN  A 501 ( 3.4A)
 0.40A 4c1dB-1ddkA:
31.4		 4c1dB-1ddkA:
33.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)		 1ddk IMP-1 METALLO
BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		5 / 11 VAL A  25
HIS A  79
LYS A 161
ASN A 167
HIS A 197
 None
ZN  A 500 (-3.4A)
ZN  A 501 ( 4.5A)
ACY  A 510 (-4.4A)
ZN  A 501 ( 3.4A)
 0.86A 4c1fA-1ddkA:
40.4
4c1fB-1ddkA:
39.3		 4c1fA-1ddkA:
100.00
4c1fB-1ddkA:
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.
4C1H_A_X8ZA305_1
(BETA-LACTAMASE 2)		 2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2
(Arabidopsis
thaliana) 		5 / 9 HIS A  56
ASP A  58
HIS A  54
GLY A 139
HIS A 169
 ZN  A 700 (-3.2A)
FE  A 701 (-2.6A)
ZN  A 700 (-3.2A)
ACY  A 800 ( 4.6A)
FE  A 701 (-3.3A)
 0.99A 4c1hA-2q42A:
17.3		 4c1hA-2q42A:
23.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COQ_A_SANA300_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 10 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.25A 4coqA-1y7wA:
25.8		 4coqA-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COQ_A_SANA300_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 HIS A 117
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.97A 4coqA-1y7wA:
25.8		 4coqA-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COQ_B_SANB300_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 9 HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.26A 4coqB-1y7wA:
25.8		 4coqB-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COQ_B_SANB300_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 9 HIS A 117
HIS A 115
VAL A 137
LEU A 216
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
 1.40A 4coqB-1y7wA:
25.8		 4coqB-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COQ_B_SANB300_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 9 HIS A 117
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.99A 4coqB-1y7wA:
25.8		 4coqB-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COQ_B_SANB300_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 9 HIS A 135
HIS A 117
VAL A 153
LEU A 216
THR A 217
 ZN  A 283 ( 3.1A)
ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 1.41A 4coqB-1y7wA:
25.8		 4coqB-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DC3_A_ADNA401_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		9 / 12 ASN A  20
ASP A  24
LEU A  46
GLY A  68
ASN A  73
THR A 140
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 (-2.9A)
None
ADN  A 375 ( 4.5A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.82A 4dc3A-1dgmA:
40.2		 4dc3A-1dgmA:
31.31
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.
4DC3_A_ADNA401_1
(ADENOSINE KINASE)		 3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE
(Pyrococcus
horikoshii) 		5 / 12 LEU A 289
GLY A 300
ALA A  66
VAL A 297
ASP A  40
 None
None
None
None
ACY  A 338 ( 4.2A)
 0.97A 4dc3A-3u4gA:
undetectable		 4dc3A-3u4gA:
23.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		10 / 12 ASN A  20
ASP A  24
LEU A  46
GLY A  68
GLY A  69
ASN A  73
THR A 140
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 (-2.9A)
None
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.81A 4dc3B-1dgmA:
41.4		 4dc3B-1dgmA:
31.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		6 / 12 LEU A  46
GLY A  68
ASN A  73
THR A 140
LEU A 142
GLY A 315
 None
ADN  A 375 ( 4.5A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
 1.38A 4dc3B-1dgmA:
41.4		 4dc3B-1dgmA:
31.31
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.
4DO3_A_0LAA602_1
(FATTY-ACID AMIDE
HYDROLASE 1)		 3dew TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY
(Geobacter
sulfurreducens) 		4 / 5 LEU A  99
LEU A  98
THR A  88
TRP A  87
 None
None
ACY  A 209 ( 3.8A)
None
 1.25A 4do3A-3dewA:
undetectable		 4do3A-3dewA:
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.
4DX7_B_DM2B1104_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 3zx2 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 1
(Rattus
norvegicus) 		4 / 8 SER A 251
GLN A 219
ILE A 420
VAL A 365
 None
None
ACY  A 511 ( 3.9A)
None
 0.66A 4dx7B-3zx2A:
undetectable		 4dx7B-3zx2A:
18.21
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.
4E3A_B_ADNB500_1
(SUGAR KINASE PROTEIN)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		9 / 12 ASN A  20
ILE A  22
ASP A  24
GLY A  68
GLY A  69
ASN A  73
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 ( 4.3A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.86A 4e3aB-1dgmA:
36.2		 4e3aB-1dgmA:
27.96
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.
4E3A_B_ADNB500_1
(SUGAR KINASE PROTEIN)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		9 / 12 ILE A  22
ASP A  24
GLY A  68
GLY A  69
ASN A  73
THR A 140
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 ( 4.3A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.74A 4e3aB-1dgmA:
36.2		 4e3aB-1dgmA:
27.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4E3H_A_HQEA303_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 10 GLN A 113
VAL A 137
LEU A 151
VAL A 153
LEU A 216
THR A 217
THR A 218
VAL A 225
TRP A 227
 None
ACY  A 279 ( 4.7A)
None
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
None
 0.26A 4e3hA-1y7wA:
26.3		 4e3hA-1y7wA:
32.05
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.
4EIL_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 11 VAL A  50
ALA A 279
PHE A 272
SER A  53
VAL A 109
 None
None
None
ACY  A 702 ( 4.9A)
None
 1.30A 4eilA-4f9dA:
undetectable		 4eilA-4f9dA:
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.
4EIL_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 10 VAL A  50
ALA A 279
PHE A 272
SER A  53
VAL A 109
 None
None
None
ACY  A 702 ( 4.9A)
None
 1.24A 4eilB-4f9dA:
undetectable		 4eilB-4f9dA:
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.
4EIL_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 10 VAL A  50
ALA A 279
PHE A 272
SER A  53
VAL A 109
 None
None
None
ACY  A 702 ( 4.9A)
None
 1.25A 4eilD-4f9dA:
undetectable		 4eilD-4f9dA:
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.
4EJJ_A_NCTA501_1
(CYTOCHROME P450 2A6)		 3nkg UNCHARACTERIZED
PROTEIN
GEBA250068378
(Sulfurospirillum
deleyianum) 		5 / 7 PHE A  35
ASN A 123
GLY A 122
THR A 120
ILE A 132
 None
ACY  A 175 (-3.1A)
None
None
None
 1.45A 4ejjA-3nkgA:
undetectable		 4ejjA-3nkgA:
16.28
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		 1ddk IMP-1 METALLO
BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 8 VAL A  31
HIS A  79
ASP A  81
HIS A 139
CYH A 158
ASN A 167
HIS A 197
 None
ZN  A 500 (-3.4A)
ZN  A 501 ( 2.7A)
ZN  A 500 (-3.3A)
ZN  A 501 ( 2.4A)
ACY  A 510 (-4.4A)
ZN  A 501 ( 3.4A)
 0.61A 4exsB-1ddkA:
30.5		 4exsB-1ddkA:
29.67
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.
4F4D_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3sql GLYCOSYL HYDROLASE
FAMILY 3
(Synechococcus
sp.
PCC
7002) 		5 / 12 MET A 307
LEU A 273
LEU A 144
ILE A 339
GLN A  20
 ACY  A 548 ( 4.7A)
None
ACY  A 548 ( 4.6A)
None
None
 1.21A 4f4dA-3sqlA:
undetectable		 4f4dA-3sqlA:
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.
4F8H_B_RKEB401_1
(PROTON-GATED ION
CHANNEL)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		4 / 8 ASN A 196
VAL A 203
PHE A 152
LEU A 145
 ACY  A 505 (-3.5A)
None
None
None
 1.11A 4f8hB-1zx5A:
undetectable
4f8hC-1zx5A:
undetectable		 4f8hB-1zx5A:
21.99
4f8hC-1zx5A:
21.99
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		 5mhj MAJOR VIRAL
TRANSCRIPTION FACTOR
ICP4
(Human
alphaherpesvirus
1) 		3 / 3 ARG A 471
TYR A 373
ASN A 482
 None
None
ACY  A 501 (-3.3A)
 0.88A 4ffwB-5mhjA:
undetectable		 4ffwB-5mhjA:
13.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4G0C_A_AZMA302_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 GLN A 113
HIS A 115
GLU A 133
VAL A 137
THR A 217
 None
ZN  A 283 ( 3.2A)
None
ACY  A 279 ( 4.7A)
ACY  A 279 (-3.4A)
 1.26A 4g0cA-1y7wA:
26.2		 4g0cA-1y7wA:
31.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4G0C_A_AZMA302_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.23A 4g0cA-1y7wA:
26.2		 4g0cA-1y7wA:
31.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4G0C_A_AZMA302_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.93A 4g0cA-1y7wA:
26.2		 4g0cA-1y7wA:
31.41
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.
4G7A_A_AZMA302_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 11 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
VAL A 153
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
 1.45A 4g7aA-1y7wA:
25.9		 4g7aA-1y7wA:
28.20
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.
4G7A_A_AZMA302_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.24A 4g7aA-1y7wA:
25.9		 4g7aA-1y7wA:
28.20
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.
4G7A_A_AZMA302_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 115
HIS A 135
LEU A 216
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 1.50A 4g7aA-1y7wA:
25.9		 4g7aA-1y7wA:
28.20
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.
4G7A_B_AZMB302_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 11 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
VAL A 153
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
 1.46A 4g7aB-1y7wA:
25.9		 4g7aB-1y7wA:
28.20
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.
4G7A_B_AZMB302_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.26A 4g7aB-1y7wA:
25.9		 4g7aB-1y7wA:
28.20
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.
4G7A_B_AZMB302_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.94A 4g7aB-1y7wA:
25.9		 4g7aB-1y7wA:
28.20
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.
4H9M_A_HAEA929_1
(UREASE)		 3gip N-ACYL-D-GLUTAMATE
DEACYLASE
(Bordetella
bronchiseptica) 		4 / 5 HIS A  66
HIS A 218
HIS A 248
ASP A 365
 ACY  A 481 ( 4.9A)
ZN  A 484 ( 3.0A)
ZN  A 484 (-3.3A)
ACY  A 481 ( 2.5A)
 0.54A 4h9mA-3gipA:
20.6		 4h9mA-3gipA:
21.28
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.
4HTF_A_ACTA303_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 3dew TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY
(Geobacter
sulfurreducens) 		3 / 3 TYR A  84
HIS A  92
ARG A  91
 ACY  A 209 (-4.6A)
None
ACY  A 209 (-3.7A)
 1.17A 4htfA-3dewA:
undetectable		 4htfA-3dewA:
23.79
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.
4IK7_B_IMNB201_1
(TRANSTHYRETIN)		 3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT
ACETYL-COA
DECARBOXYLASE/SYNTHA
SE EPSILON SUBUNIT
(Methanosarcina
barkeri) 		4 / 8 ALA G 127
LEU G 125
THR A  70
VAL A  68
 ACY  A 821 (-3.6A)
PEG  G 173 ( 4.0A)
None
ACY  A 821 ( 4.3A)
 0.62A 4ik7B-3cf4G:
undetectable		 4ik7B-3cf4G:
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.
4IKI_B_IMNB201_1
(TRANSTHYRETIN)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		4 / 6 LEU A  16
LEU A 282
SER A 301
THR A 251
 ACY  A1010 (-4.9A)
None
None
None
 0.74A 4ikiB-2igtA:
undetectable		 4ikiB-2igtA:
17.95
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.
4IKJ_A_SUZA201_1
(TRANSTHYRETIN)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		4 / 7 LEU A  16
LEU A 282
SER A 301
THR A 251
 ACY  A1010 (-4.9A)
None
None
None
 0.80A 4ikjA-2igtA:
undetectable
4ikjB-2igtA:
undetectable		 4ikjA-2igtA:
17.95
4ikjB-2igtA:
17.95
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.
4IKJ_B_SUZB201_1
(TRANSTHYRETIN)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		4 / 8 LEU A  16
LEU A 282
SER A 301
THR A 251
 ACY  A1010 (-4.9A)
None
None
None
 0.78A 4ikjA-2igtA:
undetectable
4ikjB-2igtA:
undetectable		 4ikjA-2igtA:
17.95
4ikjB-2igtA:
17.95
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.
4J7X_F_SASF805_1
(SEPIAPTERIN
REDUCTASE)		 2igs HYPOTHETICAL PROTEIN
(Pseudomonas
aeruginosa) 		5 / 12 LEU A 209
PHE A 119
TYR A 211
ASP A 117
GLY A 112
 None
None
None
None
ACY  A2018 (-3.5A)
 1.39A 4j7xF-2igsA:
undetectable		 4j7xF-2igsA:
22.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K0S_A_AZMA302_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 11 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.25A 4k0sA-1y7wA:
26.2		 4k0sA-1y7wA:
31.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K0S_A_AZMA302_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 HIS A 115
VAL A 225
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
None
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 1.25A 4k0sA-1y7wA:
26.2		 4k0sA-1y7wA:
31.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K0Z_A_MZMA308_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 12 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.30A 4k0zA-1y7wA:
26.2		 4k0zA-1y7wA:
31.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K0Z_A_MZMA308_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 12 HIS A 117
HIS A 115
VAL A 137
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 1.43A 4k0zA-1y7wA:
26.2		 4k0zA-1y7wA:
31.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K13_A_ETSA304_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 12 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 151
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.21A 4k13A-1y7wA:
26.3		 4k13A-1y7wA:
31.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K13_A_ETSA304_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 12 GLN A 113
HIS A 115
HIS A 117
VAL A 137
LEU A 151
LEU A 216
THR A 218
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
 1.44A 4k13A-1y7wA:
26.3		 4k13A-1y7wA:
31.73
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.
4K5J_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 7 TRP A  54
PHE A 301
SER A  53
VAL A 290
 None
None
ACY  A 702 ( 4.9A)
None
 1.41A 4k5jA-4f9dA:
undetectable
4k5jB-4f9dA:
undetectable		 4k5jA-4f9dA:
21.00
4k5jB-4f9dA:
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.
4KYA_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 12 VAL A  50
ALA A 279
PHE A 272
SER A  53
VAL A 109
 None
None
None
ACY  A 702 ( 4.9A)
None
 1.31A 4kyaB-4f9dA:
undetectable		 4kyaB-4f9dA:
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.
4KYA_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 12 VAL A  50
ALA A 279
PHE A 272
SER A  53
VAL A 109
 None
None
None
ACY  A 702 ( 4.9A)
None
 1.27A 4kyaD-4f9dA:
undetectable		 4kyaD-4f9dA:
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.
4KYA_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 12 VAL A  50
ALA A 279
PHE A 272
SER A  53
VAL A 109
 None
None
None
ACY  A 702 ( 4.9A)
None
 1.27A 4kyaF-4f9dA:
undetectable		 4kyaF-4f9dA:
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.
4KYA_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 12 VAL A  50
ALA A 279
PHE A 272
SER A  53
VAL A 109
 None
None
None
ACY  A 702 ( 4.9A)
None
 1.30A 4kyaH-4f9dA:
undetectable		 4kyaH-4f9dA:
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.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)		 3dew TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY
(Geobacter
sulfurreducens) 		4 / 7 LEU A  57
VAL A  56
TYR A 102
GLU A 105
 None
None
ACY  A 209 (-4.2A)
None
 0.97A 4lb2A-3dewA:
3.9		 4lb2A-3dewA:
17.16
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.
4LNW_A_T3A502_1
(THYROID HORMONE
RECEPTOR ALPHA)		 2olw RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE E
(Escherichia
coli) 		4 / 8 SER A 203
ASP A 205
VAL A 215
ARG A 213
 None
ACY  A1005 ( 4.7A)
None
None
 1.14A 4lnwA-2olwA:
undetectable		 4lnwA-2olwA:
25.09
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.
4LTW_A_STRA301_2
(ANCESTRAL STEROID
RECEPTOR 2)		 3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE EPSILON SUBUNIT
(Methanosarcina
barkeri) 		4 / 8 ALA G  45
PHE G 151
THR G   4
VAL G   2
 ACY  A 819 ( 4.3A)
None
None
None
 0.95A 4ltwA-3cf4G:
undetectable		 4ltwA-3cf4G:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LU3_A_AZMA302_1
(CARBONIC ANHYDRASE
14)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
 1.47A 4lu3A-1y7wA:
25.4		 4lu3A-1y7wA:
30.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LU3_A_AZMA302_1
(CARBONIC ANHYDRASE
14)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 GLN A 113
HIS A 115
GLU A 133
VAL A 137
THR A 217
 None
ZN  A 283 ( 3.2A)
None
ACY  A 279 ( 4.7A)
ACY  A 279 (-3.4A)
 1.22A 4lu3A-1y7wA:
25.4		 4lu3A-1y7wA:
30.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LU3_A_AZMA302_1
(CARBONIC ANHYDRASE
14)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.23A 4lu3A-1y7wA:
25.4		 4lu3A-1y7wA:
30.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LU3_A_AZMA302_1
(CARBONIC ANHYDRASE
14)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 115
HIS A 135
LEU A 216
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 1.46A 4lu3A-1y7wA:
25.4		 4lu3A-1y7wA:
30.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LU3_A_AZMA302_1
(CARBONIC ANHYDRASE
14)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
 0.81A 4lu3A-1y7wA:
25.4		 4lu3A-1y7wA:
30.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2R_A_BZ1A302_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 12 GLN A 113
HIS A 115
HIS A 117
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.18A 4m2rA-1y7wA:
26.2		 4m2rA-1y7wA:
31.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2R_A_BZ1A302_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 12 HIS A 117
VAL A 137
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.92A 4m2rA-1y7wA:
26.2		 4m2rA-1y7wA:
31.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2U_A_ETSA302_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 12 GLN A 113
HIS A 115
HIS A 117
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.20A 4m2uA-1y7wA:
26.2		 4m2uA-1y7wA:
31.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2V_A_BZ1A302_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 12 GLN A 113
HIS A 115
HIS A 117
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.16A 4m2vA-1y7wA:
26.3		 4m2vA-1y7wA:
31.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2V_A_BZ1A302_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 12 HIS A 117
VAL A 137
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.90A 4m2vA-1y7wA:
26.3		 4m2vA-1y7wA:
31.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2W_A_ETSA302_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 12 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 151
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.17A 4m2wA-1y7wA:
26.3		 4m2wA-1y7wA:
31.73
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.
4M93_B_ACTB303_0
(S25-26 FAB (IGG1K)
HEAVY CHAIN
S25-26 FAB (IGG1K)
LIGHT CHAIN)		 1uis RED FLUORESCENT
PROTEIN FP611
(Entacmaea
quadricolor) 		4 / 5 GLY A  37
ALA A 217
PHE A  69
GLU A 215
 None
ACY  A1001 (-3.6A)
None
ACY  A1001 (-3.2A)
 0.88A 4m93B-1uisA:
undetectable
4m93C-1uisA:
undetectable		 4m93B-1uisA:
21.48
4m93C-1uisA:
23.75
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.
4MJQ_A_27RA401_1
(DNA POLYMERASE III
SUBUNIT BETA)		 1l5x SURVIVAL PROTEIN E
(Pyrobaculum
aerophilum) 		4 / 5 ARG A 257
TYR A 155
PRO A 162
VAL A 250
 None
None
None
ACY  A 401 (-4.3A)
 1.46A 4mjqA-1l5xA:
undetectable		 4mjqA-1l5xA:
26.48
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.
4MUB_A_OAQA302_0
(SULFOTRANSFERASE)		 3cos ALCOHOL
DEHYDROGENASE 4
(Homo
sapiens) 		5 / 12 HIS A  69
PHE A 147
VAL A 300
PHE A  58
THR A  52
 ZN  A 501 ( 3.3A)
ACY  A 401 (-4.3A)
NAD  A 400 ( 4.2A)
None
None
 1.43A 4mubA-3cosA:
undetectable		 4mubA-3cosA:
21.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		6 / 12 ASN A  20
ASP A  24
GLY A  69
ASN A  73
GLY A 315
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 (-2.9A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.46A 4n09A-1dgmA:
41.6		 4n09A-1dgmA:
34.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		7 / 12 ASP A  24
LEU A  46
GLY A  69
ASN A  73
CYH A 127
GLY A 315
ASP A 318
 ADN  A 375 (-2.9A)
None
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.2A)
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.62A 4n09A-1dgmA:
41.6		 4n09A-1dgmA:
34.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		5 / 12 LEU A  46
GLY A  68
ASN A  73
CYH A 127
GLY A 315
 None
ADN  A 375 ( 4.5A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.2A)
ACY  A 370 (-3.1A)
 1.08A 4n09A-1dgmA:
41.6		 4n09A-1dgmA:
34.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		7 / 12 ASN A  20
ASP A  24
GLY A  68
GLY A  69
ASN A  73
GLY A 315
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.47A 4n09B-1dgmA:
41.5		 4n09B-1dgmA:
34.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		8 / 12 ASP A  24
LEU A  46
GLY A  68
GLY A  69
ASN A  73
CYH A 127
GLY A 315
ASP A 318
 ADN  A 375 (-2.9A)
None
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.2A)
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.62A 4n09B-1dgmA:
41.5		 4n09B-1dgmA:
34.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		9 / 12 ASP A  24
LEU A  46
GLY A  68
GLY A  69
ASN A  73
CYH A 127
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 (-2.9A)
None
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.2A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.71A 4n09C-1dgmA:
41.6		 4n09C-1dgmA:
34.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		6 / 12 LEU A  46
GLY A  68
ASN A  73
CYH A 127
LEU A 142
GLY A 315
 None
ADN  A 375 ( 4.5A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.2A)
None
ACY  A 370 (-3.1A)
 1.29A 4n09C-1dgmA:
41.6		 4n09C-1dgmA:
34.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_D_ADND401_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		7 / 12 ASN A  20
ASP A  24
GLY A  68
GLY A  69
ASN A  73
GLY A 315
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.48A 4n09D-1dgmA:
41.5		 4n09D-1dgmA:
34.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_D_ADND401_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		8 / 12 ASP A  24
LEU A  46
GLY A  68
GLY A  69
ASN A  73
CYH A 127
GLY A 315
ASP A 318
 ADN  A 375 (-2.9A)
None
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.2A)
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.61A 4n09D-1dgmA:
41.5		 4n09D-1dgmA:
34.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N16_A_CHDA301_0
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 8 ILE A 112
GLN A 113
HIS A 115
HIS A 117
HIS A 135
THR A 217
THR A 218
 None
None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.32A 4n16A-1y7wA:
26.3		 4n16A-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N16_A_CHDA301_0
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 8 ILE A 112
GLN A 113
HIS A 115
HIS A 117
THR A 217
 None
None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 (-3.4A)
 0.97A 4n16A-1y7wA:
26.3		 4n16A-1y7wA:
32.05
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.
4N48_B_SAMB601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 3dci ARYLESTERASE
(Agrobacterium
fabrum) 		5 / 12 ALA A  69
GLY A   8
THR A  12
LEU A  11
GLY A  49
 None
None
None
ACY  A 220 ( 4.9A)
ACY  A 220 ( 3.8A)
 0.80A 4n48B-3dciA:
2.9		 4n48B-3dciA:
19.68
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.
4NJV_D_RITD500_1
(PROTEASE)		 4l0c DEFORMYLASE
(Pseudomonas
putida) 		5 / 11 GLY A  58
ASP A  55
ILE A  28
GLY A  30
ILE A  31
 None
None
None
ACY  A 301 (-3.6A)
None
 0.99A 4njvC-4l0cA:
undetectable		 4njvC-4l0cA:
18.70
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.
4NKV_D_AERD601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3dci ARYLESTERASE
(Agrobacterium
fabrum) 		4 / 5 GLY A  49
ASP A   9
GLU A  46
VAL A  83
 ACY  A 220 ( 3.8A)
ACY  A 220 (-3.6A)
None
None
 0.82A 4nkvD-3dciA:
undetectable		 4nkvD-3dciA:
18.61
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.
4O7G_A_ASCA303_0
(PROBABLE
TRANSMEMBRANE
ASCORBATE
FERRIREDUCTASE 2)		 2g39 ACETYL-COA HYDROLASE
(Pseudomonas
aeruginosa) 		4 / 7 ILE A 180
TYR A 183
PHE A 156
ARG A 118
 ACY  A 903 (-4.0A)
ACY  A 903 (-4.4A)
ACY  A 903 (-3.9A)
ACY  A 903 (-3.9A)
 1.11A 4o7gA-2g39A:
undetectable
4o7gB-2g39A:
undetectable		 4o7gA-2g39A:
18.67
4o7gB-2g39A:
18.67
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.
4OLM_A_198A1001_2
(ANDROGEN RECEPTOR)		 1fiu TYPE II RESTRICTION
ENZYME NGOMI
(Neisseria
gonorrhoeae) 		4 / 6 ASN A 197
ILE A 238
ILE A 231
VAL A 241
 ACY  A2001 (-3.6A)
None
None
None
 0.95A 4olmA-1fiuA:
0.0		 4olmA-1fiuA:
20.40
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.
4P6V_E_RBFE201_1
(NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B
NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT E)		 4tqx SORTASE
(Streptococcus
mutans) 		4 / 5 HIS A 217
VAL A 216
GLU A 179
VAL A 190
 ACY  A 302 (-3.9A)
None
ACY  A 302 ( 4.7A)
ACY  A 302 (-3.9A)
 1.26A 4p6vB-4tqxA:
undetectable
4p6vE-4tqxA:
undetectable		 4p6vB-4tqxA:
19.06
4p6vE-4tqxA:
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.
4P6V_E_RBFE201_1
(NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B
NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT E)		 5ume 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE
(Haemophilus
influenzae) 		4 / 5 HIS A  86
VAL A  56
GLU A  26
VAL A 113
 FAD  A 300 (-3.8A)
None
ACY  A 302 (-2.8A)
None
 0.99A 4p6vB-5umeA:
undetectable
4p6vE-5umeA:
undetectable		 4p6vB-5umeA:
20.67
4p6vE-5umeA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PXX_A_CHDA302_0
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 9 ILE A 112
GLN A 113
HIS A 115
HIS A 117
HIS A 135
THR A 217
THR A 218
 None
None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.30A 4pxxA-1y7wA:
26.3		 4pxxA-1y7wA:
32.37
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.
4QOI_B_ML1B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2g39 ACETYL-COA HYDROLASE
(Pseudomonas
aeruginosa) 		5 / 11 GLY A 382
GLY A 381
GLN A 291
ILE A 264
PHE A  36
 ACY  A 901 (-3.8A)
ACY  A 901 (-3.5A)
None
ACY  A 901 (-4.1A)
None
 1.15A 4qoiA-2g39A:
undetectable
4qoiB-2g39A:
undetectable		 4qoiA-2g39A:
18.46
4qoiB-2g39A:
18.46
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.
4QVL_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.41A 4qvlV-1zx5A:
undetectable
4qvlb-1zx5A:
undetectable		 4qvlV-1zx5A:
23.08
4qvlb-1zx5A:
21.26
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.
4QVL_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.40A 4qvlH-1zx5A:
undetectable
4qvlN-1zx5A:
undetectable		 4qvlH-1zx5A:
23.08
4qvlN-1zx5A:
21.26
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.
4QVM_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.42A 4qvmV-1zx5A:
undetectable
4qvmb-1zx5A:
undetectable		 4qvmV-1zx5A:
23.08
4qvmb-1zx5A:
21.26
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.
4QVM_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.42A 4qvmH-1zx5A:
undetectable
4qvmN-1zx5A:
undetectable		 4qvmH-1zx5A:
23.08
4qvmN-1zx5A:
21.26
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.
4QVP_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.45A 4qvpV-1zx5A:
undetectable
4qvpb-1zx5A:
undetectable		 4qvpV-1zx5A:
23.08
4qvpb-1zx5A:
21.26
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.
4QVP_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.45A 4qvpH-1zx5A:
undetectable
4qvpN-1zx5A:
undetectable		 4qvpH-1zx5A:
23.08
4qvpN-1zx5A:
21.26
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.
4QVQ_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.44A 4qvqV-1zx5A:
undetectable
4qvqb-1zx5A:
undetectable		 4qvqV-1zx5A:
23.08
4qvqb-1zx5A:
21.26
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.
4QVQ_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.45A 4qvqH-1zx5A:
undetectable
4qvqN-1zx5A:
undetectable		 4qvqH-1zx5A:
23.08
4qvqN-1zx5A:
21.26
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.
4QVW_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.43A 4qvwV-1zx5A:
undetectable
4qvwb-1zx5A:
undetectable		 4qvwV-1zx5A:
23.08
4qvwb-1zx5A:
21.26
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.
4QVW_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.42A 4qvwH-1zx5A:
undetectable
4qvwN-1zx5A:
undetectable		 4qvwH-1zx5A:
23.08
4qvwN-1zx5A:
21.26
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.
4QW0_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.43A 4qw0V-1zx5A:
undetectable
4qw0b-1zx5A:
undetectable		 4qw0V-1zx5A:
23.08
4qw0b-1zx5A:
21.26
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.
4QW0_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.43A 4qw0H-1zx5A:
undetectable
4qw0N-1zx5A:
undetectable		 4qw0H-1zx5A:
23.08
4qw0N-1zx5A:
21.26
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.
4QW1_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.41A 4qw1V-1zx5A:
undetectable
4qw1b-1zx5A:
undetectable		 4qw1V-1zx5A:
23.08
4qw1b-1zx5A:
21.26
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.
4QW1_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.40A 4qw1H-1zx5A:
undetectable
4qw1N-1zx5A:
undetectable		 4qw1H-1zx5A:
23.08
4qw1N-1zx5A:
21.26
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.
4QW3_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.43A 4qw3V-1zx5A:
undetectable
4qw3b-1zx5A:
undetectable		 4qw3V-1zx5A:
23.08
4qw3b-1zx5A:
21.26
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.
4QW3_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.42A 4qw3H-1zx5A:
undetectable
4qw3N-1zx5A:
undetectable		 4qw3H-1zx5A:
23.08
4qw3N-1zx5A:
21.26
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.
4QWU_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.43A 4qwuV-1zx5A:
undetectable
4qwub-1zx5A:
undetectable		 4qwuV-1zx5A:
23.08
4qwub-1zx5A:
21.26
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.
4QWU_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.42A 4qwuH-1zx5A:
undetectable
4qwuN-1zx5A:
undetectable		 4qwuH-1zx5A:
23.08
4qwuN-1zx5A:
21.26
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.
4R3A_A_RBFA402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2g39 ACETYL-COA HYDROLASE
(Pseudomonas
aeruginosa) 		4 / 8 THR A 145
GLU A 288
VAL A  90
GLY A  40
 None
ACY  A 901 (-2.6A)
None
None
 0.84A 4r3aA-2g39A:
undetectable		 4r3aA-2g39A:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		 3gip N-ACYL-D-GLUTAMATE
DEACYLASE
(Bordetella
bronchiseptica) 		5 / 12 TYR A 343
HIS A 218
GLU A 222
HIS A 248
TYR A 190
 FMT  A 483 (-4.4A)
ZN  A 484 ( 3.0A)
None
ZN  A 484 (-3.3A)
ACY  A 481 (-4.6A)
 1.44A 4r7lA-3gipA:
undetectable		 4r7lA-3gipA:
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.
4TWL_A_ASCA303_0
(DIOSCORIN 5)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 HIS A 117
VAL A 137
VAL A 153
THR A 217
TRP A 227
 ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-3.4A)
None
 0.32A 4twlA-1y7wA:
25.7		 4twlA-1y7wA:
26.32
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.
4TWL_B_ASCB304_0
(DIOSCORIN 5)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 HIS A 117
VAL A 137
VAL A 153
THR A 217
TRP A 227
 ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-3.4A)
None
 0.30A 4twlB-1y7wA:
25.5		 4twlB-1y7wA:
26.32
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.
4U15_B_0HKB1201_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 3psq HYPOTHETICAL
EXPORTED PROTEIN
(Streptococcus
pyogenes) 		5 / 12 ASP A 118
SER A 121
THR A 158
THR A 156
ALA A  69
 ACY  A 242 (-3.8A)
None
None
None
None
 1.43A 4u15B-3psqA:
undetectable		 4u15B-3psqA:
17.62
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.
4UBP_C_HAEC800_1
(PROTEIN (UREASE
(CHAIN C)))		 3gip N-ACYL-D-GLUTAMATE
DEACYLASE
(Bordetella
bronchiseptica) 		5 / 6 HIS A  66
HIS A  68
HIS A 218
HIS A 248
ASP A 365
 ACY  A 481 ( 4.9A)
ACY  A 481 (-4.8A)
ZN  A 484 ( 3.0A)
ZN  A 484 (-3.3A)
ACY  A 481 ( 2.5A)
 0.43A 4ubpC-3gipA:
20.1		 4ubpC-3gipA:
22.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UOV_A_AZMA299_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 11 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
VAL A 153
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
 1.48A 4uovA-1y7wA:
25.8		 4uovA-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UOV_A_AZMA299_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 GLN A 113
HIS A 115
GLU A 133
VAL A 137
THR A 217
 None
ZN  A 283 ( 3.2A)
None
ACY  A 279 ( 4.7A)
ACY  A 279 (-3.4A)
 1.22A 4uovA-1y7wA:
25.8		 4uovA-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UOV_A_AZMA299_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.31A 4uovA-1y7wA:
25.8		 4uovA-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UOV_A_AZMA299_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 1.02A 4uovA-1y7wA:
25.8		 4uovA-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UOV_B_AZMB299_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 11 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
VAL A 153
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
 1.47A 4uovB-1y7wA:
25.9		 4uovB-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UOV_B_AZMB299_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.25A 4uovB-1y7wA:
25.9		 4uovB-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UOV_B_AZMB299_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.98A 4uovB-1y7wA:
25.9		 4uovB-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UOV_C_AZMC299_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 11 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
VAL A 153
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
 1.49A 4uovC-1y7wA:
25.7		 4uovC-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UOV_C_AZMC299_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 GLN A 113
HIS A 115
GLU A 133
VAL A 137
THR A 217
 None
ZN  A 283 ( 3.2A)
None
ACY  A 279 ( 4.7A)
ACY  A 279 (-3.4A)
 1.23A 4uovC-1y7wA:
25.7		 4uovC-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UOV_C_AZMC299_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.29A 4uovC-1y7wA:
25.7		 4uovC-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UOV_D_AZMD299_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 11 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
VAL A 153
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
 1.48A 4uovD-1y7wA:
25.8		 4uovD-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UOV_D_AZMD299_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.28A 4uovD-1y7wA:
25.8		 4uovD-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UOV_E_AZME299_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 11 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
VAL A 153
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
 1.49A 4uovE-1y7wA:
25.8		 4uovE-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UOV_E_AZME299_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 GLN A 113
HIS A 115
GLU A 133
VAL A 137
THR A 217
 None
ZN  A 283 ( 3.2A)
None
ACY  A 279 ( 4.7A)
ACY  A 279 (-3.4A)
 1.21A 4uovE-1y7wA:
25.8		 4uovE-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UOV_E_AZME299_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.29A 4uovE-1y7wA:
25.8		 4uovE-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UOV_E_AZME299_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 1.00A 4uovE-1y7wA:
25.8		 4uovE-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UOV_F_AZMF299_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 11 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
VAL A 153
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
 1.48A 4uovF-1y7wA:
25.8		 4uovF-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UOV_F_AZMF299_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 GLN A 113
HIS A 115
GLU A 133
VAL A 137
THR A 217
 None
ZN  A 283 ( 3.2A)
None
ACY  A 279 ( 4.7A)
ACY  A 279 (-3.4A)
 1.21A 4uovF-1y7wA:
25.8		 4uovF-1y7wA:
32.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UOV_F_AZMF299_1
(CARBONATE
DEHYDRATASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.29A 4uovF-1y7wA:
25.8		 4uovF-1y7wA:
32.89
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.
4V20_A_ACTA1444_0
(CELLOBIOHYDROLASE)		 2qc3 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Mycobacterium
tuberculosis) 		4 / 5 GLY A 272
THR A 273
GLY A   8
GLU A 267
 None
None
ACY  A 500 ( 4.7A)
None
 0.72A 4v20A-2qc3A:
undetectable		 4v20A-2qc3A:
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.
4WRY_A_URFA302_1
(URACIL-DNA
GLYCOSYLASE)		 3fg4 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN
(Plexaura
homomalla) 		5 / 8 GLY A 612
GLN A 608
TYR A 954
SER A 949
SER A 749
 None
ACY  A2201 (-3.6A)
ACY  A2203 (-3.5A)
None
None
 1.30A 4wryA-3fg4A:
undetectable		 4wryA-3fg4A:
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.
4WRZ_A_URFA302_1
(URACIL-DNA
GLYCOSYLASE)		 3fg4 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN
(Plexaura
homomalla) 		5 / 8 GLY A 612
GLN A 608
TYR A 954
SER A 949
SER A 749
 None
ACY  A2201 (-3.6A)
ACY  A2203 (-3.5A)
None
None
 1.32A 4wrzA-3fg4A:
undetectable		 4wrzA-3fg4A:
16.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5S_A_AZMA302_1
(CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE))		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 GLN A 113
GLU A 133
HIS A 135
VAL A 137
VAL A 153
TRP A 227
 None
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
 1.47A 4x5sA-1y7wA:
25.8		 4x5sA-1y7wA:
31.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5S_A_AZMA302_1
(CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE))		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.27A 4x5sA-1y7wA:
25.8		 4x5sA-1y7wA:
31.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5S_A_AZMA302_1
(CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE))		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.95A 4x5sA-1y7wA:
25.8		 4x5sA-1y7wA:
31.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5S_B_AZMB302_1
(CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE))		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 GLN A 113
GLU A 133
HIS A 135
VAL A 137
VAL A 153
TRP A 227
 None
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
 1.47A 4x5sB-1y7wA:
25.8		 4x5sB-1y7wA:
31.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X5S_B_AZMB302_1
(CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE))		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.26A 4x5sB-1y7wA:
25.8		 4x5sB-1y7wA:
31.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_A_AZMA402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 12 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
VAL A 153
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
 1.41A 4xiwA-1y7wA:
22.9
4xiwH-1y7wA:
23.0		 4xiwA-1y7wA:
31.13
4xiwH-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_A_AZMA402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 12 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.29A 4xiwA-1y7wA:
22.9
4xiwH-1y7wA:
23.0		 4xiwA-1y7wA:
31.13
4xiwH-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_A_AZMA402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 12 HIS A 115
HIS A 135
LEU A 216
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 1.50A 4xiwA-1y7wA:
22.9
4xiwH-1y7wA:
23.0		 4xiwA-1y7wA:
31.13
4xiwH-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_A_AZMA402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 12 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.85A 4xiwA-1y7wA:
22.9
4xiwH-1y7wA:
23.0		 4xiwA-1y7wA:
31.13
4xiwH-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_B_AZMB402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 12 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
 1.48A 4xiwB-1y7wA:
22.9
4xiwE-1y7wA:
23.1		 4xiwB-1y7wA:
31.13
4xiwE-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_B_AZMB402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 12 GLN A 113
HIS A 115
GLU A 133
VAL A 137
THR A 217
 None
ZN  A 283 ( 3.2A)
None
ACY  A 279 ( 4.7A)
ACY  A 279 (-3.4A)
 1.18A 4xiwB-1y7wA:
22.9
4xiwE-1y7wA:
23.1		 4xiwB-1y7wA:
31.13
4xiwE-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_B_AZMB402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 12 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.29A 4xiwB-1y7wA:
22.9
4xiwE-1y7wA:
23.1		 4xiwB-1y7wA:
31.13
4xiwE-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_B_AZMB402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 12 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.91A 4xiwB-1y7wA:
22.9
4xiwE-1y7wA:
23.1		 4xiwB-1y7wA:
31.13
4xiwE-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_C_AZMC402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 11 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
VAL A 153
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
 1.33A 4xiwC-1y7wA:
22.8		 4xiwC-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_C_AZMC402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.33A 4xiwC-1y7wA:
22.8		 4xiwC-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_C_AZMC402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.84A 4xiwC-1y7wA:
22.8		 4xiwC-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_D_AZMD402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 11 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
VAL A 153
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
 1.38A 4xiwD-1y7wA:
3.9		 4xiwD-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_D_AZMD402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.28A 4xiwD-1y7wA:
3.9		 4xiwD-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_D_AZMD402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.88A 4xiwD-1y7wA:
3.9		 4xiwD-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_E_AZME402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 11 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
VAL A 153
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
 1.41A 4xiwE-1y7wA:
23.1		 4xiwE-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_E_AZME402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.28A 4xiwE-1y7wA:
23.1		 4xiwE-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_E_AZME402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.94A 4xiwE-1y7wA:
23.1		 4xiwE-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_F_AZMF402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 11 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
VAL A 153
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
 1.46A 4xiwF-1y7wA:
23.0		 4xiwF-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_F_AZMF402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.27A 4xiwF-1y7wA:
23.0		 4xiwF-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_F_AZMF402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 115
HIS A 135
LEU A 216
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 1.48A 4xiwF-1y7wA:
23.0		 4xiwF-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_G_AZMG402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 12 GLN A 113
GLU A 133
VAL A 137
LEU A 151
VAL A 153
TRP A 227
 None
None
ACY  A 279 ( 4.7A)
None
None
None
 1.39A 4xiwG-1y7wA:
23.1		 4xiwG-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_G_AZMG402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		12 / 12 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
LEU A 151
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.40A 4xiwG-1y7wA:
23.1		 4xiwG-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_G_AZMG402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 12 HIS A 117
GLU A 122
VAL A 153
LEU A 151
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 1.19A 4xiwG-1y7wA:
23.1		 4xiwG-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_H_AZMH402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 11 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
VAL A 153
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
 1.40A 4xiwH-1y7wA:
23.0		 4xiwH-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_H_AZMH402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.33A 4xiwH-1y7wA:
23.0		 4xiwH-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XIW_H_AZMH402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.91A 4xiwH-1y7wA:
23.0		 4xiwH-1y7wA:
31.13
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.
4YGF_A_AZMA303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 11 HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.38A 4ygfA-1y7wA:
23.5		 4ygfA-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_A_AZMA303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 LYS A  87
HIS A 115
HIS A 117
HIS A 135
LEU A 216
THR A 217
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 0.55A 4ygfA-1y7wA:
23.5		 4ygfA-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_B_AZMB303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 11 HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.34A 4ygfB-1y7wA:
23.3		 4ygfB-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_B_AZMB303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 HIS A 115
HIS A 135
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 1.47A 4ygfB-1y7wA:
23.3		 4ygfB-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_B_AZMB303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 HIS A 117
GLU A 122
VAL A 137
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 0.70A 4ygfB-1y7wA:
23.3		 4ygfB-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_B_AZMB303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 HIS A 117
HIS A 115
VAL A 137
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 1.44A 4ygfB-1y7wA:
23.3		 4ygfB-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_C_AZMC303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 HIS A 117
HIS A 115
VAL A 137
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 1.42A 4ygfC-1y7wA:
17.4		 4ygfC-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_C_AZMC303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 11 LYS A  87
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.51A 4ygfC-1y7wA:
17.4		 4ygfC-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_D_AZMD303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 11 HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.22A 4ygfD-1y7wA:
10.7		 4ygfD-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_D_AZMD303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 HIS A 117
GLU A 122
HIS A 135
VAL A 137
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 0.98A 4ygfD-1y7wA:
10.7		 4ygfD-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_E_AZME303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 12 HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.33A 4ygfE-1y7wA:
23.4		 4ygfE-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_E_AZME303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 12 HIS A 117
GLU A 122
VAL A 137
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 0.75A 4ygfE-1y7wA:
23.4		 4ygfE-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_E_AZME303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 12 HIS A 117
HIS A 115
VAL A 137
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 1.45A 4ygfE-1y7wA:
23.4		 4ygfE-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_F_AZMF303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 9 HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.29A 4ygfF-1y7wA:
23.2		 4ygfF-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_F_AZMF303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 9 HIS A 117
HIS A 115
VAL A 137
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 1.40A 4ygfF-1y7wA:
23.2		 4ygfF-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_G_AZMG303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 12 HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.24A 4ygfG-1y7wA:
23.6		 4ygfG-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_G_AZMG303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 12 HIS A 117
HIS A 115
VAL A 137
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 1.42A 4ygfG-1y7wA:
23.6		 4ygfG-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_H_AZMH303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 9 HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.34A 4ygfH-1y7wA:
23.4		 4ygfH-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_H_AZMH303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 9 HIS A 117
HIS A 115
VAL A 137
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 1.40A 4ygfH-1y7wA:
23.4		 4ygfH-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YHA_A_MZMA303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 12 LYS A  87
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.60A 4yhaA-1y7wA:
23.4		 4yhaA-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YHA_B_MZMB303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 10 HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 0.49A 4yhaB-1y7wA:
22.8		 4yhaB-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YHA_C_MZMC303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 11 HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.42A 4yhaC-1y7wA:
23.7		 4yhaC-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YHA_C_MZMC303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 11 LYS A  87
HIS A 115
HIS A 117
HIS A 135
LEU A 216
THR A 217
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.58A 4yhaC-1y7wA:
23.7		 4yhaC-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YHA_D_MZMD302_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 11 HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.43A 4yhaD-1y7wA:
22.5		 4yhaD-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YHA_D_MZMD302_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 HIS A 115
HIS A 135
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 1.49A 4yhaD-1y7wA:
22.5		 4yhaD-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YHA_D_MZMD302_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 1.03A 4yhaD-1y7wA:
22.5		 4yhaD-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YHA_D_MZMD302_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 11 LYS A  87
HIS A 117
GLU A 122
LEU A 216
THR A 217
 None
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 0.62A 4yhaD-1y7wA:
22.5		 4yhaD-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YHA_E_MZME303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 12 HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.44A 4yhaE-1y7wA:
23.4		 4yhaE-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YHA_F_MZMF302_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 10 HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.67A 4yhaF-1y7wA:
21.2		 4yhaF-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YHA_G_MZMG303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 12 HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.42A 4yhaG-1y7wA:
23.6		 4yhaG-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YHA_H_MZMH303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 10 HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.40A 4yhaH-1y7wA:
23.3		 4yhaH-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YMG_B_SAMB1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		5 / 12 GLY A 141
TYR A 142
SER A 163
ALA A 191
ASP A 211
 None
FMT  A1013 ( 4.7A)
ACY  A1008 ( 2.6A)
SAM  A1001 (-3.6A)
SAM  A1001 (-2.8A)
 1.29A 4ymgB-2igtA:
13.9		 4ymgB-2igtA:
23.75
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.
4YV5_A_SVRA205_2
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 1jed SULFATE
ADENYLYLTRANSFERASE
(Saccharomyces
cerevisiae) 		4 / 6 PHE A 255
LEU A 258
PRO A 223
ARG A 186
 None
None
None
ACY  A 555 (-3.5A)
 1.23A 4yv5B-1jedA:
undetectable		 4yv5B-1jedA:
12.82
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.
4YV5_B_SVRB207_1
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 1jed SULFATE
ADENYLYLTRANSFERASE
(Saccharomyces
cerevisiae) 		4 / 6 PHE A 255
LEU A 258
PRO A 223
ARG A 186
 None
None
None
ACY  A 555 (-3.5A)
 1.24A 4yv5A-1jedA:
undetectable		 4yv5A-1jedA:
12.82
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.
4Z53_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)		 2e5a LIPOYLTRANSFERASE 1
(Bos
taurus) 		4 / 6 GLY A 138
ASP A 127
GLY A  78
ARG A 100
 LAQ  A2001 ( 3.4A)
MG  A3001 ( 3.3A)
LAQ  A2001 ( 3.2A)
ACY  A5001 ( 4.2A)
 1.01A 4z53A-2e5aA:
3.2
4z53B-2e5aA:
2.6		 4z53A-2e5aA:
18.63
4z53B-2e5aA:
18.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZZB_A_ACTA404_0
(PROTON-GATED ION
CHANNEL)		 3igq GLR4197 PROTEIN
(Gloeobacter
violaceus) 		4 / 4 LEU A  45
ILE A  73
ARG A  85
TYR A 102
 None
NA  A 801 ( 4.4A)
ACY  A 701 ( 3.2A)
ACY  A 701 ( 4.8A)
 0.22A 4zzbA-3igqA:
24.5		 4zzbA-3igqA:
68.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZZB_C_ACTC404_0
(PROTON-GATED ION
CHANNEL)		 3igq GLR4197 PROTEIN
(Gloeobacter
violaceus) 		4 / 4 ILE A  73
ILE A  76
ARG A  85
TYR A 102
 NA  A 801 ( 4.4A)
ACY  A 701 (-4.5A)
ACY  A 701 ( 3.2A)
ACY  A 701 ( 4.8A)
 0.40A 4zzbC-3igqA:
24.5		 4zzbC-3igqA:
68.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZZB_D_ACTD403_0
(PROTON-GATED ION
CHANNEL)		 3igq GLR4197 PROTEIN
(Gloeobacter
violaceus) 		4 / 4 ILE A  73
ARG A  85
TYR A 102
GLU A 104
 NA  A 801 ( 4.4A)
ACY  A 701 ( 3.2A)
ACY  A 701 ( 4.8A)
ACY  A 701 ( 4.8A)
 0.25A 4zzbD-3igqA:
24.7		 4zzbD-3igqA:
68.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZZB_E_ACTE403_0
(PROTON-GATED ION
CHANNEL)		 3igq GLR4197 PROTEIN
(Gloeobacter
violaceus) 		3 / 3 ARG A  85
TYR A 102
GLU A 104
 ACY  A 701 ( 3.2A)
ACY  A 701 ( 4.8A)
ACY  A 701 ( 4.8A)
 0.22A 4zzbE-3igqA:
24.3		 4zzbE-3igqA:
68.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZZC_A_ACTA406_0
(PROTON-GATED ION
CHANNEL)		 3igq GLR4197 PROTEIN
(Gloeobacter
violaceus) 		4 / 4 LEU A  45
ILE A  73
ARG A  85
TYR A 102
 None
NA  A 801 ( 4.4A)
ACY  A 701 ( 3.2A)
ACY  A 701 ( 4.8A)
 0.32A 4zzcA-3igqA:
24.5		 4zzcA-3igqA:
68.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZZC_B_ACTB406_0
(PROTON-GATED ION
CHANNEL)		 3igq GLR4197 PROTEIN
(Gloeobacter
violaceus) 		4 / 4 LEU A  45
ILE A  73
ARG A  85
TYR A 102
 None
NA  A 801 ( 4.4A)
ACY  A 701 ( 3.2A)
ACY  A 701 ( 4.8A)
 0.28A 4zzcB-3igqA:
24.3		 4zzcB-3igqA:
68.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZZC_C_ACTC407_0
(PROTON-GATED ION
CHANNEL)		 3igq GLR4197 PROTEIN
(Gloeobacter
violaceus) 		4 / 4 ILE A  73
ILE A  76
ARG A  85
TYR A 102
 NA  A 801 ( 4.4A)
ACY  A 701 (-4.5A)
ACY  A 701 ( 3.2A)
ACY  A 701 ( 4.8A)
 0.50A 4zzcC-3igqA:
24.6		 4zzcC-3igqA:
68.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZZC_D_ACTD406_0
(PROTON-GATED ION
CHANNEL)		 3igq GLR4197 PROTEIN
(Gloeobacter
violaceus) 		4 / 4 ILE A  73
ILE A  76
ARG A  85
TYR A 102
 NA  A 801 ( 4.4A)
ACY  A 701 (-4.5A)
ACY  A 701 ( 3.2A)
ACY  A 701 ( 4.8A)
 0.49A 4zzcD-3igqA:
24.4		 4zzcD-3igqA:
68.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZZC_E_ACTE406_0
(PROTON-GATED ION
CHANNEL)		 3igq GLR4197 PROTEIN
(Gloeobacter
violaceus) 		5 / 5 ILE A  73
ILE A  76
ARG A  85
TYR A 102
GLU A 104
 NA  A 801 ( 4.4A)
ACY  A 701 (-4.5A)
ACY  A 701 ( 3.2A)
ACY  A 701 ( 4.8A)
ACY  A 701 ( 4.8A)
 0.48A 4zzcE-3igqA:
24.6		 4zzcE-3igqA:
68.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		 1ddk IMP-1 METALLO
BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		7 / 8 VAL A  31
HIS A  79
ASP A  81
HIS A 139
CYH A 158
ASN A 167
HIS A 197
 None
ZN  A 500 (-3.4A)
ZN  A 501 ( 2.7A)
ZN  A 500 (-3.3A)
ZN  A 501 ( 2.4A)
ACY  A 510 (-4.4A)
ZN  A 501 ( 3.4A)
 0.34A 5a5zA-1ddkA:
31.0		 5a5zA-1ddkA:
33.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		 1ddk IMP-1 METALLO
BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 7 HIS A 139
CYH A 158
LYS A 161
GLY A 166
ASN A 167
HIS A 197
 ZN  A 500 (-3.3A)
ZN  A 501 ( 2.4A)
ZN  A 501 ( 4.5A)
None
ACY  A 510 (-4.4A)
ZN  A 501 ( 3.4A)
 0.58A 5a5zC-1ddkA:
30.9		 5a5zC-1ddkA:
33.06
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.
5ADL_B_H4BB600_1
(ENDOTHELIAL NITRIC
OXIDE SYNTHASE)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 7 TRP A  54
PHE A 301
SER A  53
VAL A 290
 None
None
ACY  A 702 ( 4.9A)
None
 1.36A 5adlA-4f9dA:
0.6
5adlB-4f9dA:
undetectable		 5adlA-4f9dA:
21.00
5adlB-4f9dA:
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.
5AMK_A_EF2A151_1
(CEREBLON ISOFORM 4)		 3hjj MALTOSE
O-ACETYLTRANSFERASE
(Bacillus
anthracis) 		4 / 8 ASN A  85
PRO A 106
PHE A  83
TYR A  35
 ACY  A 190 (-3.6A)
ACY  A 190 ( 4.7A)
ACY  A 190 ( 4.8A)
None
 1.34A 5amkA-3hjjA:
undetectable		 5amkA-3hjjA:
18.28
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.
5AYA_A_X8ZA307_1
(METALLO-BETA-LACTAMA
SE)		 2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2
(Arabidopsis
thaliana) 		6 / 11 HIS A  54
HIS A  56
ASP A  58
HIS A  59
HIS A 112
ARG A 248
 ZN  A 700 (-3.2A)
ZN  A 700 (-3.2A)
FE  A 701 (-2.6A)
FE  A 701 (-3.1A)
ZN  A 700 (-3.3A)
ACY  A 800 (-3.2A)
 0.84A 5ayaA-2q42A:
16.0		 5ayaA-2q42A:
23.23
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		4 / 5 TYR A 239
GLY A  53
TYR A  60
GLY A  61
 None
ACY  A 460 ( 4.3A)
ACY  A 460 ( 4.5A)
None
 0.62A 5ayfA-1whsA:
undetectable		 5ayfA-1whsA:
21.14
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.
5BPH_A_ACTA403_0
(D-ALANINE--D-ALANINE
LIGASE)		 4l0c DEFORMYLASE
(Pseudomonas
putida) 		4 / 6 ARG A  57
GLY A  58
SER A  64
LEU A  67
 None
None
ACY  A 302 (-3.4A)
None
 1.28A 5bphA-4l0cA:
2.6		 5bphA-4l0cA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BS8_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE
(Pyrococcus
horikoshii) 		4 / 7 ASP A 105
ARG A 107
GLY A 181
GLU A 180
 ACY  A 339 (-3.7A)
ACY  A 339 (-4.1A)
None
ACY  A 339 (-4.4A)
 0.88A 5bs8A-3u4gA:
undetectable
5bs8C-3u4gA:
undetectable
5bs8D-3u4gA:
undetectable		 5bs8A-3u4gA:
23.48
5bs8C-3u4gA:
23.48
5bs8D-3u4gA:
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.
5BTA_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE
(Pyrococcus
horikoshii) 		4 / 7 ASP A 105
ARG A 107
GLY A 181
GLU A 180
 ACY  A 339 (-3.7A)
ACY  A 339 (-4.1A)
None
ACY  A 339 (-4.4A)
 0.89A 5btaA-3u4gA:
undetectable
5btaC-3u4gA:
undetectable
5btaD-3u4gA:
undetectable		 5btaA-3u4gA:
23.29
5btaC-3u4gA:
23.29
5btaD-3u4gA:
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE
(Pyrococcus
horikoshii) 		4 / 7 ASP A 105
ARG A 107
GLY A 181
GLU A 180
 ACY  A 339 (-3.7A)
ACY  A 339 (-4.1A)
None
ACY  A 339 (-4.4A)
 0.86A 5btfA-3u4gA:
undetectable
5btfB-3u4gA:
undetectable
5btfC-3u4gA:
undetectable		 5btfA-3u4gA:
23.29
5btfB-3u4gA:
22.97
5btfC-3u4gA:
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE
(Pyrococcus
horikoshii) 		4 / 7 ASP A 105
ARG A 107
GLY A 181
GLU A 180
 ACY  A 339 (-3.7A)
ACY  A 339 (-4.1A)
None
ACY  A 339 (-4.4A)
 0.79A 5btfA-3u4gA:
undetectable
5btfC-3u4gA:
undetectable
5btfD-3u4gA:
undetectable		 5btfA-3u4gA:
23.29
5btfC-3u4gA:
23.29
5btfD-3u4gA:
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.
5BXN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.42A 5bxnH-1zx5A:
undetectable
5bxnN-1zx5A:
undetectable		 5bxnH-1zx5A:
23.23
5bxnN-1zx5A:
21.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5C8I_A_MZMA302_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 12 GLN A 113
HIS A 115
GLU A 133
VAL A 137
VAL A 153
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ACY  A 279 ( 4.7A)
None
None
 1.34A 5c8iA-1y7wA:
26.1		 5c8iA-1y7wA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5C8I_A_MZMA302_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 12 GLN A 113
HIS A 115
HIS A 117
GLU A 122
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.28A 5c8iA-1y7wA:
26.1		 5c8iA-1y7wA:
32.05
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.
5CCL_A_SAMA504_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		5 / 12 GLY A 175
ASN A 176
GLU A 145
ASN A  51
TYR A 151
 None
None
ACY  A 460 ( 4.3A)
ACY  A 460 (-3.8A)
None
 1.39A 5cclA-1whsA:
undetectable		 5cclA-1whsA:
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.
5CZ7_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.41A 5cz7H-1zx5A:
undetectable
5cz7N-1zx5A:
undetectable		 5cz7H-1zx5A:
23.08
5cz7N-1zx5A:
21.26
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.
5D0X_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.42A 5d0xV-1zx5A:
undetectable
5d0xb-1zx5A:
undetectable		 5d0xV-1zx5A:
23.08
5d0xb-1zx5A:
21.26
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.
5D0X_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.42A 5d0xH-1zx5A:
undetectable
5d0xN-1zx5A:
undetectable		 5d0xH-1zx5A:
23.08
5d0xN-1zx5A:
21.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		 1c0n PROTEIN (CSDB
PROTEIN)
(Escherichia
coli) 		5 / 8 ALA A  31
HIS A 123
ASN A 175
LYS A 226
ARG A 379
 ACY  A 550 (-3.6A)
PLP  A 500 (-3.7A)
ACY  A 550 (-3.7A)
PLP  A 500 (-1.3A)
ACY  A 550 (-2.5A)
 0.31A 5db5A-1c0nA:
65.6
5db5B-1c0nA:
65.8		 5db5A-1c0nA:
98.28
5db5B-1c0nA:
98.28
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.
5ECN_D_LEUD602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 3fg4 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN
(Plexaura
homomalla) 		4 / 8 ILE A 994
ALA A 960
VAL A 997
HIS A 953
 None
ACY  A2201 ( 3.8A)
ACY  A2203 (-4.5A)
ACY  A2201 (-3.9A)
 0.88A 5ecnD-3fg4A:
undetectable		 5ecnD-3fg4A:
23.65
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.
5EEV_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 5xd7 3,6-ANHYDRO-ALPHA-L-
GALACTONATE
CYCLOISOMERASE
(Vibrio
sp.
EJY3) 		5 / 10 HIS A 306
ALA A 287
HIS A 300
THR A 299
ALA A 286
 None
None
ACY  A 403 (-4.1A)
None
None
 1.22A 5eevO-5xd7A:
undetectable
5eevP-5xd7A:
undetectable		 5eevO-5xd7A:
11.52
5eevP-5xd7A:
11.52
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.
5EEW_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 5xd7 3,6-ANHYDRO-ALPHA-L-
GALACTONATE
CYCLOISOMERASE
(Vibrio
sp.
EJY3) 		5 / 10 HIS A 306
ALA A 287
HIS A 300
THR A 299
ALA A 286
 None
None
ACY  A 403 (-4.1A)
None
None
 1.21A 5eewO-5xd7A:
undetectable
5eewP-5xd7A:
undetectable		 5eewO-5xd7A:
11.52
5eewP-5xd7A:
11.52
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.
5EEX_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 5xd7 3,6-ANHYDRO-ALPHA-L-
GALACTONATE
CYCLOISOMERASE
(Vibrio
sp.
EJY3) 		5 / 10 HIS A 306
ALA A 287
HIS A 300
THR A 299
ALA A 286
 None
None
ACY  A 403 (-4.1A)
None
None
 1.21A 5eexO-5xd7A:
undetectable
5eexP-5xd7A:
undetectable		 5eexO-5xd7A:
11.52
5eexP-5xd7A:
11.52
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.
5EEY_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 5xd7 3,6-ANHYDRO-ALPHA-L-
GALACTONATE
CYCLOISOMERASE
(Vibrio
sp.
EJY3) 		5 / 10 HIS A 306
ALA A 287
HIS A 300
THR A 299
ALA A 286
 None
None
ACY  A 403 (-4.1A)
None
None
 1.21A 5eeyO-5xd7A:
undetectable
5eeyP-5xd7A:
undetectable		 5eeyO-5xd7A:
11.52
5eeyP-5xd7A:
11.52
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.
5EEZ_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 5xd7 3,6-ANHYDRO-ALPHA-L-
GALACTONATE
CYCLOISOMERASE
(Vibrio
sp.
EJY3) 		5 / 10 HIS A 306
ALA A 287
HIS A 300
THR A 299
ALA A 286
 None
None
ACY  A 403 (-4.1A)
None
None
 1.21A 5eezO-5xd7A:
undetectable
5eezP-5xd7A:
undetectable		 5eezO-5xd7A:
11.52
5eezP-5xd7A:
11.52
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.
5EF0_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 5xd7 3,6-ANHYDRO-ALPHA-L-
GALACTONATE
CYCLOISOMERASE
(Vibrio
sp.
EJY3) 		5 / 10 HIS A 306
ALA A 287
HIS A 300
THR A 299
ALA A 286
 None
None
ACY  A 403 (-4.1A)
None
None
 1.21A 5ef0O-5xd7A:
undetectable
5ef0P-5xd7A:
undetectable		 5ef0O-5xd7A:
11.52
5ef0P-5xd7A:
11.52
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.
5EF1_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 5xd7 3,6-ANHYDRO-ALPHA-L-
GALACTONATE
CYCLOISOMERASE
(Vibrio
sp.
EJY3) 		5 / 10 HIS A 306
ALA A 287
HIS A 300
THR A 299
ALA A 286
 None
None
ACY  A 403 (-4.1A)
None
None
 1.21A 5ef1O-5xd7A:
undetectable
5ef1P-5xd7A:
undetectable		 5ef1O-5xd7A:
11.52
5ef1P-5xd7A:
11.52
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.
5EF2_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 5xd7 3,6-ANHYDRO-ALPHA-L-
GALACTONATE
CYCLOISOMERASE
(Vibrio
sp.
EJY3) 		5 / 10 HIS A 306
ALA A 287
HIS A 300
THR A 299
ALA A 286
 None
None
ACY  A 403 (-4.1A)
None
None
 1.21A 5ef2O-5xd7A:
undetectable
5ef2P-5xd7A:
undetectable		 5ef2O-5xd7A:
11.52
5ef2P-5xd7A:
11.52
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.
5EF3_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 5xd7 3,6-ANHYDRO-ALPHA-L-
GALACTONATE
CYCLOISOMERASE
(Vibrio
sp.
EJY3) 		5 / 10 HIS A 306
ALA A 287
HIS A 300
THR A 299
ALA A 286
 None
None
ACY  A 403 (-4.1A)
None
None
 1.21A 5ef3O-5xd7A:
undetectable
5ef3P-5xd7A:
undetectable		 5ef3O-5xd7A:
11.52
5ef3P-5xd7A:
11.52
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.
5FJ3_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 7 TRP A  54
PHE A 301
SER A  53
VAL A 290
 None
None
ACY  A 702 ( 4.9A)
None
 1.37A 5fj3A-4f9dA:
undetectable
5fj3B-4f9dA:
undetectable		 5fj3A-4f9dA:
21.00
5fj3B-4f9dA:
21.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FXF_A_BEZA601_0
(EUGENOL OXIDASE)		 1wve 4-CRESOL
DEHYDROGENASE
[HYDROXYLATING]
FLAVOPROTEIN SUBUNIT
(Pseudomonas
putida) 		7 / 9 TYR A  95
VAL A 170
TYR A 172
ILE A 429
VAL A 438
TYR A 473
ARG A 474
 ACY  A1701 (-4.6A)
FAD  A 599 (-4.1A)
FAD  A 599 (-4.3A)
None
ACY  A1701 (-4.6A)
ACY  A1701 (-4.8A)
FAD  A 599 ( 3.1A)
 0.45A 5fxfA-1wveA:
53.0		 5fxfA-1wveA:
40.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FXF_B_BEZB601_0
(EUGENOL OXIDASE)		 1wve 4-CRESOL
DEHYDROGENASE
[HYDROXYLATING]
FLAVOPROTEIN SUBUNIT
(Pseudomonas
putida) 		7 / 10 TYR A  95
VAL A 170
TYR A 172
ILE A 429
VAL A 438
TYR A 473
ARG A 474
 ACY  A1701 (-4.6A)
FAD  A 599 (-4.1A)
FAD  A 599 (-4.3A)
None
ACY  A1701 (-4.6A)
ACY  A1701 (-4.8A)
FAD  A 599 ( 3.1A)
 0.43A 5fxfB-1wveA:
53.2		 5fxfB-1wveA:
40.45
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.
5HWA_A_GCSA301_1
(CHITOSANASE)		 5hcf CALRETICULIN,
PUTATIVE,CALRETICULI
N, PUTATIVE
(Trypanosoma
cruzi) 		4 / 8 GLN A 321
ILE A 317
GLY A 107
LEU A 103
 None
None
ACY  A 402 ( 4.9A)
None
 0.94A 5hwaA-5hcfA:
undetectable		 5hwaA-5hcfA:
20.49
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.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 5ere EXTRACELLULAR
LIGAND-BINDING
RECEPTOR
(Desulfohalobium
retbaense) 		5 / 12 ILE A 518
GLY A 494
PHE A 493
ILE A 526
ALA A 523
 None
ACY  A 603 (-3.7A)
ACY  A 603 (-4.6A)
None
None
 1.19A 5j7wC-5ereA:
undetectable		 5j7wC-5ereA:
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.
5JN8_A_AZMA701_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 10 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.39A 5jn8A-1y7wA:
23.4		 5jn8A-1y7wA:
28.44
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.
5JN8_A_AZMA701_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 10 GLN A 113
HIS A 115
HIS A 117
VAL A 137
LEU A 216
THR A 218
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
 1.44A 5jn8A-1y7wA:
23.4		 5jn8A-1y7wA:
28.44
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.
5JN8_A_AZMA701_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 HIS A 117
HIS A 115
VAL A 137
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 1.40A 5jn8A-1y7wA:
23.4		 5jn8A-1y7wA:
28.44
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.
5JN8_B_AZMB701_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 11 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
VAL A 153
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
 1.49A 5jn8B-1y7wA:
23.6		 5jn8B-1y7wA:
28.44
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.
5JN8_B_AZMB701_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.36A 5jn8B-1y7wA:
23.6		 5jn8B-1y7wA:
28.44
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.
5JN8_B_AZMB701_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 GLN A 113
HIS A 115
HIS A 117
VAL A 137
LEU A 216
THR A 218
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
 1.45A 5jn8B-1y7wA:
23.6		 5jn8B-1y7wA:
28.44
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.
5JN8_C_AZMC701_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 9 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.40A 5jn8C-1y7wA:
23.4		 5jn8C-1y7wA:
28.44
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.
5JN8_C_AZMC701_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 9 GLN A 113
HIS A 115
HIS A 117
VAL A 137
LEU A 216
THR A 218
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
 1.43A 5jn8C-1y7wA:
23.4		 5jn8C-1y7wA:
28.44
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.
5JN8_C_AZMC701_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 9 HIS A 117
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 1.10A 5jn8C-1y7wA:
23.4		 5jn8C-1y7wA:
28.44
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.
5JN8_D_AZMD701_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 GLN A 113
HIS A 115
GLU A 133
VAL A 137
THR A 217
 None
ZN  A 283 ( 3.2A)
None
ACY  A 279 ( 4.7A)
ACY  A 279 (-3.4A)
 1.27A 5jn8D-1y7wA:
23.5		 5jn8D-1y7wA:
28.44
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.
5JN8_D_AZMD701_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 10 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.33A 5jn8D-1y7wA:
23.5		 5jn8D-1y7wA:
28.44
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.
5JN8_D_AZMD701_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 10 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 1.01A 5jn8D-1y7wA:
23.5		 5jn8D-1y7wA:
28.44
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.
5JN9_A_EZLA302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 10 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.38A 5jn9A-1y7wA:
23.4		 5jn9A-1y7wA:
28.44
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.
5JN9_A_EZLA302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 10 GLN A 113
HIS A 115
HIS A 117
VAL A 137
LEU A 216
THR A 218
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
 1.47A 5jn9A-1y7wA:
23.4		 5jn9A-1y7wA:
28.44
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.
5JN9_A_EZLA302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 HIS A 117
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 1.09A 5jn9A-1y7wA:
23.4		 5jn9A-1y7wA:
28.44
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.
5JN9_B_EZLB302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 10 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.34A 5jn9B-1y7wA:
23.7		 5jn9B-1y7wA:
28.44
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.
5JN9_B_EZLB302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 HIS A 117
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.97A 5jn9B-1y7wA:
23.7		 5jn9B-1y7wA:
28.44
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.
5JN9_C_EZLC302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 9 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.33A 5jn9C-1y7wA:
23.5		 5jn9C-1y7wA:
28.44
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.
5JN9_C_EZLC302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 9 GLN A 113
HIS A 115
HIS A 117
VAL A 137
LEU A 216
THR A 218
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
 1.44A 5jn9C-1y7wA:
23.5		 5jn9C-1y7wA:
28.44
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.
5JN9_C_EZLC302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 9 HIS A 117
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 1.02A 5jn9C-1y7wA:
23.5		 5jn9C-1y7wA:
28.44
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.
5JN9_C_EZLC302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 9 HIS A 135
HIS A 117
VAL A 153
LEU A 216
THR A 217
 ZN  A 283 ( 3.1A)
ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 1.44A 5jn9C-1y7wA:
23.5		 5jn9C-1y7wA:
28.44
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.
5JN9_D_EZLD302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 10 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.34A 5jn9D-1y7wA:
23.6		 5jn9D-1y7wA:
28.44
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.
5JN9_D_EZLD302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 HIS A 117
HIS A 115
VAL A 137
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 1.36A 5jn9D-1y7wA:
23.6		 5jn9D-1y7wA:
28.44
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.
5JNA_A_TORA302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 12 ASN A   5
HIS A 117
GLU A 122
VAL A 137
LEU A 216
 None
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
 1.13A 5jnaA-1y7wA:
23.3		 5jnaA-1y7wA:
28.44
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.
5JNA_A_TORA302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 12 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.45A 5jnaA-1y7wA:
23.3		 5jnaA-1y7wA:
28.44
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.
5JNA_A_TORA302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 12 GLN A 113
HIS A 115
HIS A 117
VAL A 137
LEU A 216
THR A 218
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
 1.47A 5jnaA-1y7wA:
23.3		 5jnaA-1y7wA:
28.44
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.
5JNA_A_TORA302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 12 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 1.02A 5jnaA-1y7wA:
23.3		 5jnaA-1y7wA:
28.44
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.
5JNA_B_TORB302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 12 ASN A   5
HIS A 117
HIS A 135
LEU A 216
TRP A 227
 None
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-4.3A)
None
 1.31A 5jnaB-1y7wA:
23.6		 5jnaB-1y7wA:
28.44
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.
5JNA_B_TORB302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 12 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.43A 5jnaB-1y7wA:
23.6		 5jnaB-1y7wA:
28.44
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.
5JNA_C_TORC302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 11 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.48A 5jnaC-1y7wA:
23.4		 5jnaC-1y7wA:
28.44
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.
5JNA_C_TORC302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 GLN A 113
HIS A 115
HIS A 117
VAL A 137
LEU A 216
THR A 218
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
 1.44A 5jnaC-1y7wA:
23.4		 5jnaC-1y7wA:
28.44
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.
5JNA_D_TORD302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 12 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.39A 5jnaD-1y7wA:
23.5		 5jnaD-1y7wA:
28.44
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.
5JNA_D_TORD302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 12 GLN A 113
HIS A 115
HIS A 117
VAL A 137
LEU A 216
THR A 218
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
 1.46A 5jnaD-1y7wA:
23.5		 5jnaD-1y7wA:
28.44
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.
5JNA_D_TORD302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 12 HIS A 117
VAL A 137
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.93A 5jnaD-1y7wA:
23.5		 5jnaD-1y7wA:
28.44
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.
5JNC_A_6LHA302_0
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		11 / 11 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.39A 5jncA-1y7wA:
23.4		 5jncA-1y7wA:
28.44
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.
5JNC_A_6LHA302_0
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 11 GLN A 113
HIS A 115
HIS A 117
VAL A 137
LEU A 216
THR A 218
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
 1.42A 5jncA-1y7wA:
23.4		 5jncA-1y7wA:
28.44
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.
5JNC_B_6LHB302_0
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 10 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.30A 5jncB-1y7wA:
23.7		 5jncB-1y7wA:
28.44
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.
5JNC_B_6LHB302_0
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 HIS A 115
VAL A 225
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
None
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 1.34A 5jncB-1y7wA:
23.7		 5jncB-1y7wA:
28.44
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.
5JNC_B_6LHB302_0
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 HIS A 117
HIS A 115
VAL A 137
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 1.37A 5jncB-1y7wA:
23.7		 5jncB-1y7wA:
28.44
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.
5JNC_C_6LHC302_0
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 9 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.34A 5jncC-1y7wA:
23.4		 5jncC-1y7wA:
28.44
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.
5JNC_C_6LHC302_0
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 9 HIS A 117
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 1.04A 5jncC-1y7wA:
23.4		 5jncC-1y7wA:
28.44
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.
5JNC_D_6LHD302_0
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 9 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.33A 5jncD-1y7wA:
23.5		 5jncD-1y7wA:
28.44
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.
5JNC_D_6LHD302_0
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 9 HIS A 117
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 1.04A 5jncD-1y7wA:
23.5		 5jncD-1y7wA:
28.44
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.
5JSD_A_1GNA615_1
(PHIAB6 TAILSPIKE)		 5ume 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE
(Haemophilus
influenzae) 		3 / 3 TYR A 273
TYR A 150
GLN A 181
 ACY  A 302 ( 4.0A)
FAD  A 300 (-4.3A)
ACY  A 302 ( 3.9A)
 0.93A 5jsdA-5umeA:
undetectable
5jsdB-5umeA:
undetectable		 5jsdA-5umeA:
17.35
5jsdB-5umeA:
17.35
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.
5JSD_B_1GNB606_1
(PHIAB6 TAILSPIKE)		 5ume 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE
(Haemophilus
influenzae) 		3 / 3 TYR A 273
TYR A 150
GLN A 181
 ACY  A 302 ( 4.0A)
FAD  A 300 (-4.3A)
ACY  A 302 ( 3.9A)
 0.92A 5jsdB-5umeA:
undetectable
5jsdC-5umeA:
undetectable		 5jsdB-5umeA:
17.35
5jsdC-5umeA:
17.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		7 / 12 LEU A  46
GLY A  68
GLY A  69
ASN A  73
CYH A 127
LEU A 142
GLY A 315
 None
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.2A)
None
ACY  A 370 (-3.1A)
 0.87A 5kb5A-1dgmA:
42.7		 5kb5A-1dgmA:
32.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		7 / 12 LEU A  46
GLY A  68
GLY A  69
ASN A  73
LEU A 142
GLY A 315
ASP A 318
 None
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.79A 5kb5A-1dgmA:
42.7		 5kb5A-1dgmA:
32.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KB6_A_ADNA401_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		8 / 12 THR A 278
GLY A 280
VAL A 302
ILE A 310
ALA A 316
GLY A 317
ALA A 345
ILE A 349
 None
None
None
None
ACY  A 370 (-4.0A)
ACY  A 370 (-3.5A)
None
None
 0.63A 5kb6A-1dgmA:
47.3		 5kb6A-1dgmA:
32.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KB6_B_ADNB401_1
(ADENOSINE KINASE)		 1dgm ADENOSINE KINASE
(Toxoplasma
gondii) 		8 / 12 THR A 278
GLY A 280
VAL A 302
ILE A 310
ALA A 316
GLY A 317
ALA A 345
ILE A 349
 None
None
None
None
ACY  A 370 (-4.0A)
ACY  A 370 (-3.5A)
None
None
 0.59A 5kb6B-1dgmA:
47.4		 5kb6B-1dgmA:
32.28
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.
5KLA_A_ACTA1505_0
(MATERNAL PROTEIN
PUMILIO)		 2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2
(Arabidopsis
thaliana) 		3 / 3 HIS A 112
LYS A 140
PHE A 142
 ZN  A 700 (-3.3A)
ACY  A 800 (-4.3A)
None
 0.78A 5klaA-2q42A:
undetectable		 5klaA-2q42A:
21.37
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		 2qc3 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Mycobacterium
tuberculosis) 		4 / 8 GLN A   9
ASN A 155
ALA A 154
HIS A  90
 ACY  A 500 (-3.8A)
None
None
None
 1.15A 5km8A-2qc3A:
undetectable
5km8B-2qc3A:
undetectable		 5km8A-2qc3A:
21.18
5km8B-2qc3A:
21.18
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		 3fg4 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN
(Plexaura
homomalla) 		4 / 8 GLN A 753
ASN A 947
HIS A 762
HIS A 757
 ACY  A2203 (-2.6A)
FE2  A1500 (-3.7A)
FE2  A1500 (-3.2A)
FE2  A1500 (-3.3A)
 1.19A 5km8A-3fg4A:
undetectable
5km8B-3fg4A:
undetectable		 5km8A-3fg4A:
12.55
5km8B-3fg4A:
12.55
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.
5KOX_A_RFPA502_2
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		 4hao PROBABLE INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE
(Yersinia
pestis) 		3 / 3 VAL A 116
ARG A  95
PRO A 106
 None
None
ACY  A 402 (-4.9A)
 0.81A 5koxA-4haoA:
undetectable		 5koxA-4haoA:
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.
5KU6_A_MZMA301_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 10 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.41A 5ku6A-1y7wA:
23.3		 5ku6A-1y7wA:
28.44
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.
5KU6_A_MZMA301_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 10 GLN A 113
HIS A 115
HIS A 117
VAL A 137
LEU A 216
THR A 218
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
 1.45A 5ku6A-1y7wA:
23.3		 5ku6A-1y7wA:
28.44
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.
5KU6_A_MZMA301_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 HIS A 117
HIS A 115
VAL A 137
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 1.41A 5ku6A-1y7wA:
23.3		 5ku6A-1y7wA:
28.44
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.
5KU6_B_MZMB302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		10 / 10 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.37A 5ku6B-1y7wA:
23.6		 5ku6B-1y7wA:
28.44
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.
5KU6_B_MZMB302_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 10 HIS A 117
HIS A 115
VAL A 137
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 1.38A 5ku6B-1y7wA:
23.6		 5ku6B-1y7wA:
28.44
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.
5KU6_C_MZMC301_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 9 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.39A 5ku6C-1y7wA:
23.5		 5ku6C-1y7wA:
28.44
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.
5KU6_C_MZMC301_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 9 GLN A 113
HIS A 115
HIS A 117
VAL A 137
LEU A 216
THR A 218
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
 1.45A 5ku6C-1y7wA:
23.5		 5ku6C-1y7wA:
28.44
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.
5KU6_C_MZMC301_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 9 HIS A 117
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 1.10A 5ku6C-1y7wA:
23.5		 5ku6C-1y7wA:
28.44
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.
5KU6_D_MZMD301_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 9 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.38A 5ku6D-1y7wA:
23.5		 5ku6D-1y7wA:
28.44
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.
5KU6_D_MZMD301_1
(CARBONIC ANHYDRASE 4)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 9 HIS A 117
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 1.07A 5ku6D-1y7wA:
23.5		 5ku6D-1y7wA:
28.44
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.
5L0Z_A_SAMA304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		 1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE
(Klebsiella
aerogenes) 		6 / 12 THR A 316
GLY A 318
GLY A 203
ILE A  63
LEU A 336
ALA A 321
 ACY  A1402 (-4.3A)
None
None
None
None
None
 1.39A 5l0zA-1zkjA:
undetectable		 5l0zA-1zkjA:
24.22
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.
5L0Z_A_SAMA304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		 3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)
(Rhodobacter
sphaeroides) 		5 / 12 THR A  80
GLY A 116
GLY A 121
LEU A 145
LEU A 147
 BME  A 251 ( 4.4A)
ACY  A 250 (-4.5A)
ACY  A 250 (-3.5A)
BME  A 251 ( 3.9A)
ACY  A 250 ( 4.5A)
 0.70A 5l0zA-3onpA:
17.0		 5l0zA-3onpA:
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.
5L0Z_B_SAMB304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		 3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)
(Rhodobacter
sphaeroides) 		5 / 10 THR A  80
GLY A 116
GLY A 121
LEU A 145
LEU A 147
 BME  A 251 ( 4.4A)
ACY  A 250 (-4.5A)
ACY  A 250 (-3.5A)
BME  A 251 ( 3.9A)
ACY  A 250 ( 4.5A)
 0.77A 5l0zB-3onpA:
7.0		 5l0zB-3onpA:
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.
5L66_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.46A 5l66V-1zx5A:
undetectable
5l66b-1zx5A:
undetectable		 5l66V-1zx5A:
23.08
5l66b-1zx5A:
21.26
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.
5L66_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 11 HIS A 175
THR A  95
GLY A 126
ALA A 128
THR A 161
 GOL  A 700 (-4.1A)
ACY  A 506 ( 3.0A)
None
None
None
 1.46A 5l66H-1zx5A:
undetectable
5l66N-1zx5A:
undetectable		 5l66H-1zx5A:
23.08
5l66N-1zx5A:
21.26
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.
5M78_A_SALA304_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 7 GLN A 113
HIS A 115
VAL A 137
LEU A 216
THR A 217
THR A 218
 None
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.35A 5m78A-1y7wA:
26.0		 5m78A-1y7wA:
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.
5M78_A_SALA304_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 7 GLN A 113
HIS A 115
VAL A 137
LEU A 216
THR A 218
 None
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
 1.39A 5m78A-1y7wA:
26.0		 5m78A-1y7wA:
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.
5M8R_A_MMSA511_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		4 / 7 HIS A 117
HIS A 135
LEU A 134
VAL A 137
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
None
ACY  A 279 ( 4.7A)
 1.07A 5m8rA-1y7wA:
undetectable		 5m8rA-1y7wA:
21.75
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.
5M8R_D_MMSD509_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		4 / 8 HIS A 117
HIS A 135
LEU A 134
VAL A 137
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
None
ACY  A 279 ( 4.7A)
 1.00A 5m8rD-1y7wA:
undetectable		 5m8rD-1y7wA:
21.75
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.
5MWY_A_YNUA1101_1
(MINERALOCORTICOID
RECEPTOR)		 1z72 TRANSCRIPTIONAL
REGULATOR, PUTATIVE
(Streptococcus
pneumoniae) 		4 / 6 GLN A  84
ARG A  80
PHE A  81
PHE A  57
 None
None
None
ACY  A 801 (-3.4A)
 1.32A 5mwyA-1z72A:
undetectable		 5mwyA-1z72A:
21.63
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.
5N5D_B_SAMB303_0
(METHYLTRANSFERASE)		 3dew TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY
(Geobacter
sulfurreducens) 		5 / 12 LEU A  85
ALA A  83
VAL A  80
ILE A 121
ALA A 155
 None
None
None
None
ACY  A 209 ( 4.0A)
 1.12A 5n5dB-3dewA:
undetectable		 5n5dB-3dewA:
24.48
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.
5N5J_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 4 HIS A 268
GLU A 110
HIS A 278
HIS A 266
 ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 0.95A 5n5jA-1xcrA:
undetectable		 5n5jA-1xcrA:
19.43
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.
5N5K_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		 1xcr HYPOTHETICAL PROTEIN
PTD012
(Homo
sapiens) 		4 / 5 HIS A 268
GLU A 110
HIS A 278
HIS A 266
 ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 0.95A 5n5kA-1xcrA:
undetectable		 5n5kA-1xcrA:
18.15
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.
5N5K_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		4 / 5 ILE A  89
HIS A 175
HIS A 100
HIS A  98
 ACY  A 506 ( 4.7A)
GOL  A 700 (-4.1A)
GOL  A 700 (-4.5A)
GOL  A 700 ( 4.2A)
 1.03A 5n5kA-1zx5A:
undetectable		 5n5kA-1zx5A:
20.27
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.
5N8J_E_DVAE7_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)		 3igq GLR4197 PROTEIN
(Gloeobacter
violaceus) 		3 / 3 TYR A 102
SER A  44
TRP A  47
 ACY  A 701 ( 4.8A)
None
None
 0.99A 5n8jB-3igqA:
undetectable		 5n8jB-3igqA:
23.65
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.
5N8J_O_DVAO7_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)		 3igq GLR4197 PROTEIN
(Gloeobacter
violaceus) 		3 / 3 TYR A 102
SER A  44
TRP A  47
 ACY  A 701 ( 4.8A)
None
None
 0.97A 5n8jA-3igqA:
undetectable		 5n8jA-3igqA:
23.65
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.
5N8J_P_DVAP5_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)		 3igq GLR4197 PROTEIN
(Gloeobacter
violaceus) 		3 / 3 TYR A 102
SER A  44
TRP A  47
 ACY  A 701 ( 4.8A)
None
None
 1.00A 5n8jD-3igqA:
undetectable		 5n8jD-3igqA:
23.65
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.
5NCD_A_ACTA301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 6 ASP A 114
ASP A 115
HIS A 184
HIS A 189
HIS A  55
 ACY  A 702 (-3.7A)
NI  A 701 ( 2.7A)
NI  A 701 ( 3.4A)
NI  A 701 ( 3.4A)
ACY  A 702 (-3.8A)
 0.53A 5ncdA-4f9dA:
4.4
5ncdD-4f9dA:
9.3		 5ncdA-4f9dA:
17.61
5ncdD-4f9dA:
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.
5NCD_C_ACTC301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 6 ASP A 114
ASP A 115
HIS A 184
HIS A 189
HIS A  55
 ACY  A 702 (-3.7A)
NI  A 701 ( 2.7A)
NI  A 701 ( 3.4A)
NI  A 701 ( 3.4A)
ACY  A 702 (-3.8A)
 0.50A 5ncdB-4f9dA:
4.8
5ncdC-4f9dA:
9.7		 5ncdB-4f9dA:
17.61
5ncdC-4f9dA:
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.
5NCD_D_ACTD301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3gip N-ACYL-D-GLUTAMATE
DEACYLASE
(Bordetella
bronchiseptica) 		4 / 4 ASP A 365
HIS A 248
HIS A 218
HIS A  68
 ACY  A 481 ( 2.5A)
ZN  A 484 (-3.3A)
ZN  A 484 ( 3.0A)
ACY  A 481 (-4.8A)
 1.49A 5ncdD-3gipA:
2.1		 5ncdD-3gipA:
18.96
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.
5NCD_D_ACTD301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 4 ASP A 114
HIS A 184
HIS A 189
HIS A  55
 ACY  A 702 (-3.7A)
NI  A 701 ( 3.4A)
NI  A 701 ( 3.4A)
ACY  A 702 (-3.8A)
 0.56A 5ncdD-4f9dA:
9.3		 5ncdD-4f9dA:
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.
5NEK_B_AZMB302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		6 / 8 ASP A 114
ASP A 115
HIS A 184
HIS A 189
PRO A 251
HIS A  55
 ACY  A 702 (-3.7A)
NI  A 701 ( 2.7A)
NI  A 701 ( 3.4A)
NI  A 701 ( 3.4A)
ACY  A 702 (-4.5A)
ACY  A 702 (-3.8A)
 0.56A 5nekB-4f9dA:
4.0		 5nekB-4f9dA:
8.69
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.
5NEK_D_AZMD302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 8 ASP A 114
ASP A 115
HIS A 184
HIS A 189
HIS A  55
 ACY  A 702 (-3.7A)
NI  A 701 ( 2.7A)
NI  A 701 ( 3.4A)
NI  A 701 ( 3.4A)
ACY  A 702 (-3.8A)
 0.59A 5nekD-4f9dA:
9.6		 5nekD-4f9dA:
8.69
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.
5NEL_A_ACTA302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 6 ASP A 114
ASP A 115
HIS A 184
HIS A 189
HIS A  55
 ACY  A 702 (-3.7A)
NI  A 701 ( 2.7A)
NI  A 701 ( 3.4A)
NI  A 701 ( 3.4A)
ACY  A 702 (-3.8A)
 0.57A 5nelA-4f9dA:
3.9
5nelD-4f9dA:
4.6		 5nelA-4f9dA:
17.61
5nelD-4f9dA:
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.
5NEL_C_ACTC302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 6 ASP A 114
HIS A 184
HIS A 189
HIS A  55
 ACY  A 702 (-3.7A)
NI  A 701 ( 3.4A)
NI  A 701 ( 3.4A)
ACY  A 702 (-3.8A)
 0.56A 5nelB-4f9dA:
9.5
5nelC-4f9dA:
2.7		 5nelB-4f9dA:
17.61
5nelC-4f9dA:
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.
5NFJ_B_SAMB501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)		 4jwg TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE
(Schizosaccharomy
ces
pombe) 		6 / 12 LEU A 183
ALA A 185
ILE A 202
GLY A 203
LEU A 229
LEU A 243
 None
None
ACY  A 302 ( 4.8A)
ACY  A 302 (-3.9A)
None
None
 0.60A 5nfjB-4jwgA:
24.7		 5nfjB-4jwgA:
29.13
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.
5NFJ_C_SAMC501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)		 4jwg TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE
(Schizosaccharomy
ces
pombe) 		6 / 12 LEU A 183
ALA A 185
ILE A 202
GLY A 203
LEU A 229
LEU A 243
 None
None
ACY  A 302 ( 4.8A)
ACY  A 302 (-3.9A)
None
None
 0.61A 5nfjC-4jwgA:
24.7		 5nfjC-4jwgA:
29.13
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.
5NY7_A_NCAA302_0
(AMIDASE)		 3ki8 BETA
UREIDOPROPIONASE
(BETA-ALANINE
SYNTHASE)
(Pyrococcus
abyssi) 		5 / 9 GLU A  42
TYR A  48
LYS A 113
GLU A 120
LEU A 172
 None
None
None
None
ACY  A3001 (-4.2A)
 0.85A 5ny7A-3ki8A:
33.9		 5ny7A-3ki8A:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ODI_D_ACTD202_0
(METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D)		 3jv7 ADH-A
(Rhodococcus
ruber) 		3 / 3 HIS A  62
GLU A  63
TRP A 295
 ZN  A 502 ( 3.3A)
None
ACY  A 504 ( 3.7A)
 0.94A 5odiD-3jv7A:
undetectable		 5odiD-3jv7A:
16.22
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.
5ODQ_D_ACTD202_0
(METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D)		 3jv7 ADH-A
(Rhodococcus
ruber) 		3 / 3 HIS A  62
GLU A  63
TRP A 295
 ZN  A 502 ( 3.3A)
None
ACY  A 504 ( 3.7A)
 1.17A 5odqD-3jv7A:
undetectable		 5odqD-3jv7A:
16.22
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.
5ODR_D_ACTD202_0
(METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D)		 3jv7 ADH-A
(Rhodococcus
ruber) 		3 / 3 HIS A  62
GLU A  63
TRP A 295
 ZN  A 502 ( 3.3A)
None
ACY  A 504 ( 3.7A)
 1.05A 5odrD-3jv7A:
undetectable		 5odrD-3jv7A:
16.22
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.
5OEX_B_CUB601_0
(THIOCYANATE
DEHYDROGENASE)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		3 / 3 HIS A  55
ASP A 115
HIS A 184
 ACY  A 702 (-3.8A)
NI  A 701 ( 2.7A)
NI  A 701 ( 3.4A)
 0.76A 5oexB-4f9dA:
undetectable		 5oexB-4f9dA:
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.
5OEX_C_CUC601_0
(THIOCYANATE
DEHYDROGENASE)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		3 / 3 HIS A  55
ASP A 115
HIS A 184
 ACY  A 702 (-3.8A)
NI  A 701 ( 2.7A)
NI  A 701 ( 3.4A)
 0.73A 5oexC-4f9dA:
undetectable		 5oexC-4f9dA:
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.
5OEX_D_CUD601_0
(THIOCYANATE
DEHYDROGENASE)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		3 / 3 HIS A  55
ASP A 115
HIS A 184
 ACY  A 702 (-3.8A)
NI  A 701 ( 2.7A)
NI  A 701 ( 3.4A)
 0.73A 5oexD-4f9dA:
undetectable		 5oexD-4f9dA:
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.
5OGJ_A_ACTA307_0
(CARBONIC ANHYDRASE
13)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		4 / 6 HIS A 115
HIS A 117
LEU A 216
THR A 218
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
 1.29A 5ogjA-1y7wA:
26.2		 5ogjA-1y7wA:
29.08
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.
5OGJ_A_ACTA307_0
(CARBONIC ANHYDRASE
13)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 6 HIS A 115
HIS A 135
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 ( 3.1A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.22A 5ogjA-1y7wA:
26.2		 5ogjA-1y7wA:
29.08
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.
5OGJ_B_ACTB305_0
(CARBONIC ANHYDRASE
13)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 6 HIS A 115
HIS A 135
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 ( 3.1A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.21A 5ogjB-1y7wA:
25.6		 5ogjB-1y7wA:
29.08
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.
5OHH_A_ACTA307_0
(CARBONIC ANHYDRASE
13)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		4 / 5 HIS A 115
HIS A 117
LEU A 216
THR A 218
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
 1.29A 5ohhA-1y7wA:
25.6		 5ohhA-1y7wA:
29.08
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.
5OHH_A_ACTA307_0
(CARBONIC ANHYDRASE
13)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 5 HIS A 115
HIS A 135
VAL A 153
LEU A 216
THR A 217
 ZN  A 283 ( 3.2A)
ZN  A 283 ( 3.1A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 0.20A 5ohhA-1y7wA:
25.6		 5ohhA-1y7wA:
29.08
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.
5OHH_B_ACTB311_0
(CARBONIC ANHYDRASE
13)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		4 / 6 HIS A 115
HIS A 117
LEU A 216
THR A 218
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
 1.29A 5ohhB-1y7wA:
26.1		 5ohhB-1y7wA:
29.08
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.
5OHH_B_ACTB311_0
(CARBONIC ANHYDRASE
13)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		6 / 6 HIS A 115
HIS A 135
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 ( 3.1A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.20A 5ohhB-1y7wA:
26.1		 5ohhB-1y7wA:
29.08
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.
5OJ0_A_9WTA801_0
(PENICILLIN-BINDING
PROTEIN 2X)		 2qc3 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Mycobacterium
tuberculosis) 		5 / 12 ARG A 249
ASN A 155
THR A 273
GLY A   8
GLN A 243
 None
None
None
ACY  A 500 ( 4.7A)
None
 1.36A 5oj0A-2qc3A:
undetectable		 5oj0A-2qc3A:
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		 3pdw UNCHARACTERIZED
HYDROLASE YUTF
(Bacillus
subtilis) 		5 / 9 LEU A 251
VAL A 206
HIS A 246
TRP A 254
ILE A  11
 None
None
None
ACY  A 269 ( 4.5A)
None
 1.20A 5om2A-3pdwA:
undetectable
5om2B-3pdwA:
undetectable		 5om2A-3pdwA:
14.39
5om2B-3pdwA:
11.76
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.
5Q1S_A_AWYA1103_0
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 1uis RED FLUORESCENT
PROTEIN FP611
(Entacmaea
quadricolor) 		4 / 6 LYS A  74
VAL A 195
LYS A 220
ILE A  70
 None
None
None
ACY  A1001 (-4.8A)
 1.41A 5q1sA-1uisA:
0.1		 5q1sA-1uisA:
22.61
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.
5SXQ_B_NIZB808_1
(CATALASE-PEROXIDASE)		 5ume 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE
(Haemophilus
influenzae) 		4 / 8 GLU A  26
GLY A 208
GLN A 181
THR A 180
 ACY  A 302 (-2.8A)
None
ACY  A 302 ( 3.9A)
None
 1.00A 5sxqB-5umeA:
undetectable		 5sxqB-5umeA:
18.12
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.
5SYJ_A_NIZA809_1
(CATALASE-PEROXIDASE)		 5ume 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE
(Haemophilus
influenzae) 		4 / 8 GLU A  26
GLY A 208
GLN A 181
THR A 180
 ACY  A 302 (-2.8A)
None
ACY  A 302 ( 3.9A)
None
 0.99A 5syjA-5umeA:
undetectable		 5syjA-5umeA:
18.12
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.
5TT3_A_EZLA303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 10 HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.39A 5tt3A-1y7wA:
23.4		 5tt3A-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TT3_B_EZLB303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 9 HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.34A 5tt3B-1y7wA:
22.8		 5tt3B-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TT3_B_EZLB303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 9 HIS A 117
HIS A 115
VAL A 137
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 1.28A 5tt3B-1y7wA:
22.8		 5tt3B-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TT3_C_EZLC303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 10 HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.36A 5tt3C-1y7wA:
23.7		 5tt3C-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TT3_E_EZLE303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 9 HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.33A 5tt3E-1y7wA:
23.3		 5tt3E-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TT3_E_EZLE303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 9 HIS A 117
HIS A 135
VAL A 153
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 1.05A 5tt3E-1y7wA:
23.3		 5tt3E-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TT3_F_EZLF302_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 8 HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.49A 5tt3F-1y7wA:
22.9		 5tt3F-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TT3_F_EZLF302_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 8 HIS A 115
HIS A 135
VAL A 153
LEU A 216
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 ( 3.1A)
None
ACY  A 279 (-4.3A)
None
 1.46A 5tt3F-1y7wA:
22.9		 5tt3F-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TT3_G_EZLG303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 9 HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.35A 5tt3G-1y7wA:
23.1		 5tt3G-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TT3_G_EZLG303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 9 HIS A 117
HIS A 115
VAL A 137
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 1.36A 5tt3G-1y7wA:
23.1		 5tt3G-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TT3_G_EZLG303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		5 / 9 HIS A 117
HIS A 135
VAL A 153
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 1.07A 5tt3G-1y7wA:
23.1		 5tt3G-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TT3_H_EZLH303_1
(ALPHA-CARBONIC
ANHYDRASE)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		7 / 8 HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.43A 5tt3H-1y7wA:
23.2		 5tt3H-1y7wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TWJ_A_SAMA201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		 4jwg TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE
(Schizosaccharomy
ces
pombe) 		5 / 12 LEU A 183
ILE A 202
GLY A 203
LEU A 229
VAL A 248
 None
ACY  A 302 ( 4.8A)
ACY  A 302 (-3.9A)
None
None
 0.47A 5twjA-4jwgA:
4.9		 5twjA-4jwgA:
22.41
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.
5TWJ_A_SAMA201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		 4jwg TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE
(Schizosaccharomy
ces
pombe) 		5 / 12 LEU A 183
ILE A 202
GLY A 203
LEU A 243
VAL A 248
 None
ACY  A 302 ( 4.8A)
ACY  A 302 (-3.9A)
None
None
 0.52A 5twjA-4jwgA:
4.9		 5twjA-4jwgA:
22.41
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.
5TWJ_B_SAMB201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		 4jwg TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE
(Schizosaccharomy
ces
pombe) 		5 / 10 LEU A 183
ILE A 202
GLY A 203
LEU A 229
VAL A 248
 None
ACY  A 302 ( 4.8A)
ACY  A 302 (-3.9A)
None
None
 0.52A 5twjB-4jwgA:
5.4		 5twjB-4jwgA:
22.41
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.
5TWJ_B_SAMB201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		 4jwg TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE
(Schizosaccharomy
ces
pombe) 		5 / 10 LEU A 183
ILE A 202
GLY A 203
LEU A 243
VAL A 248
 None
ACY  A 302 ( 4.8A)
ACY  A 302 (-3.9A)
None
None
 0.57A 5twjB-4jwgA:
5.4		 5twjB-4jwgA:
22.41
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.
5TWJ_C_SAMC201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		 4jwg TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE
(Schizosaccharomy
ces
pombe) 		5 / 12 LEU A 183
ILE A 202
GLY A 203
LEU A 229
VAL A 248
 None
ACY  A 302 ( 4.8A)
ACY  A 302 (-3.9A)
None
None
 0.47A 5twjC-4jwgA:
5.4		 5twjC-4jwgA:
22.41
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.
5TWJ_C_SAMC201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		 4jwg TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE
(Schizosaccharomy
ces
pombe) 		5 / 12 LEU A 183
ILE A 202
GLY A 203
LEU A 243
VAL A 248
 None
ACY  A 302 ( 4.8A)
ACY  A 302 (-3.9A)
None
None
 0.53A 5twjC-4jwgA:
5.4		 5twjC-4jwgA:
22.41
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.
5TZO_A_7V7A202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 306
PRO A  56
TYR A 292
ALA A 303
GLY A 302
 None
ACY  A 338 ( 4.7A)
None
None
None
 1.15A 5tzoA-3u4gA:
undetectable		 5tzoA-3u4gA:
19.58
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.
5TZO_B_7V7B201_1
(ENDO-1,4-BETA-XYLANA
SE A)		 4hbz PUTATIVE
PHOSPHOHISTIDINE
PHOSPHATASE, SIXA
(Nakamurella
multipartita) 		5 / 12 SER A  29
ALA A  26
TYR A  91
ALA A  27
GLY A  28
 ACY  A 205 (-4.6A)
None
None
None
None
 1.02A 5tzoB-4hbzA:
undetectable		 5tzoB-4hbzA:
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.
5TZO_C_7V7C201_1
(ENDO-1,4-BETA-XYLANA
SE A)		 3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 306
PRO A  56
TYR A 292
ALA A 303
GLY A 302
 None
ACY  A 338 ( 4.7A)
None
None
None
 1.10A 5tzoC-3u4gA:
undetectable		 5tzoC-3u4gA:
19.58
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.
5UBB_A_SAMA301_1
(ALPHA N-TERMINAL
PROTEIN
METHYLTRANSFERASE 1B)		 3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT
(Methanosarcina
barkeri) 		4 / 5 GLY A 506
ARG A 503
MET A 511
GLN A 796
 None
None
None
ACY  A 824 ( 3.2A)
 1.42A 5ubbA-3cf4A:
1.6		 5ubbA-3cf4A:
13.11
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.
5UUN_B_ACTB308_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3cos ALCOHOL
DEHYDROGENASE 4
(Homo
sapiens) 		3 / 3 LEU A 337
ILE A 334
TYR A  95
 None
None
ACY  A 401 (-3.6A)
 0.70A 5uunB-3cosA:
undetectable		 5uunB-3cosA:
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		 4tqx SORTASE
(Streptococcus
mutans) 		5 / 10 ALA A 135
LEU A 136
LEU A 166
GLU A 199
ILE A 164
 None
None
None
ACY  A 302 ( 4.9A)
None
 0.69A 5v02B-4tqxA:
undetectable
5v02R-4tqxA:
undetectable		 5v02B-4tqxA:
18.45
5v02R-4tqxA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V37_A_SAMA504_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		5 / 12 GLY A 175
ASN A 176
GLU A 145
ASN A  51
TYR A 151
 None
None
ACY  A 460 ( 4.3A)
ACY  A 460 (-3.8A)
None
 1.33A 5v37A-1whsA:
undetectable		 5v37A-1whsA:
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.
5VOO_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2g39 ACETYL-COA HYDROLASE
(Pseudomonas
aeruginosa) 		5 / 12 GLU A 288
GLY A 308
VAL A 226
GLY A 263
ILE A 264
 ACY  A 901 (-2.6A)
None
None
None
ACY  A 901 (-4.1A)
 1.13A 5vooA-2g39A:
undetectable		 5vooA-2g39A:
23.25
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.
5VOO_B_C2FB702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2g39 ACETYL-COA HYDROLASE
(Pseudomonas
aeruginosa) 		5 / 12 GLU A 288
GLY A 308
VAL A 226
GLY A 263
ILE A 264
 ACY  A 901 (-2.6A)
None
None
None
ACY  A 901 (-4.1A)
 1.11A 5vooB-2g39A:
undetectable		 5vooB-2g39A:
23.25
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.
5VOO_C_C2FC702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2g39 ACETYL-COA HYDROLASE
(Pseudomonas
aeruginosa) 		5 / 12 GLU A 288
GLY A 308
VAL A 226
GLY A 263
ILE A 264
 ACY  A 901 (-2.6A)
None
None
None
ACY  A 901 (-4.1A)
 1.16A 5vooC-2g39A:
undetectable		 5vooC-2g39A:
23.25
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.
5VOO_D_C2FD3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2g39 ACETYL-COA HYDROLASE
(Pseudomonas
aeruginosa) 		5 / 12 GLU A 288
GLY A 308
VAL A 226
GLY A 263
ILE A 264
 ACY  A 901 (-2.6A)
None
None
None
ACY  A 901 (-4.1A)
 1.12A 5vooD-2g39A:
undetectable		 5vooD-2g39A:
23.25
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.
5VOO_E_C2FE3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2g39 ACETYL-COA HYDROLASE
(Pseudomonas
aeruginosa) 		5 / 12 GLU A 288
GLY A 308
VAL A 226
GLY A 263
ILE A 264
 ACY  A 901 (-2.6A)
None
None
None
ACY  A 901 (-4.1A)
 1.08A 5vooE-2g39A:
undetectable		 5vooE-2g39A:
23.25
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.
5VOO_F_C2FF3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2g39 ACETYL-COA HYDROLASE
(Pseudomonas
aeruginosa) 		5 / 12 GLU A 288
GLY A 308
VAL A 226
GLY A 263
ILE A 264
 ACY  A 901 (-2.6A)
None
None
None
ACY  A 901 (-4.1A)
 1.10A 5vooF-2g39A:
2.6		 5vooF-2g39A:
23.25
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.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2g39 ACETYL-COA HYDROLASE
(Pseudomonas
aeruginosa) 		5 / 12 GLU A 288
GLY A 308
VAL A 226
GLY A 263
ILE A 264
 ACY  A 901 (-2.6A)
None
None
None
ACY  A 901 (-4.1A)
 1.05A 5vopB-2g39A:
undetectable		 5vopB-2g39A:
23.25
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.
5VV7_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 7 TRP A  54
PHE A 301
SER A  53
VAL A 290
 None
None
ACY  A 702 ( 4.9A)
None
 1.38A 5vv7A-4f9dA:
undetectable
5vv7B-4f9dA:
undetectable		 5vv7A-4f9dA:
21.00
5vv7B-4f9dA:
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.
5VVN_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 7 TRP A  54
PHE A 301
SER A  53
VAL A 290
 None
None
ACY  A 702 ( 4.9A)
None
 1.34A 5vvnA-4f9dA:
undetectable
5vvnB-4f9dA:
undetectable		 5vvnA-4f9dA:
21.00
5vvnB-4f9dA:
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.
5W4Z_A_RBFA502_1
(RIBOFLAVIN LYASE)		 4qyr AT-LESS POLYKETIDE
SYNTHASE
(Streptomyces
platensis) 		6 / 12 ALA A2968
ALA A2966
GLY A2736
ALA A2735
SER A2662
VAL A2707
 None
None
None
None
None
ACY  A3202 (-3.5A)
 1.32A 5w4zA-4qyrA:
undetectable		 5w4zA-4qyrA:
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.
5W4Z_B_RBFB502_1
(RIBOFLAVIN LYASE)		 4qyr AT-LESS POLYKETIDE
SYNTHASE
(Streptomyces
platensis) 		6 / 12 ALA A2968
ALA A2966
GLY A2736
ALA A2735
SER A2662
VAL A2707
 None
None
None
None
None
ACY  A3202 (-3.5A)
 1.37A 5w4zB-4qyrA:
undetectable		 5w4zB-4qyrA:
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.
5WBV_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 2cb9 FENGYCIN SYNTHETASE
(Bacillus
subtilis) 		5 / 12 GLY A 199
ALA A 200
SER A  84
TYR A 113
PHE A 166
 None
None
ACY  A1225 (-2.5A)
None
None
 1.02A 5wbvA-2cb9A:
undetectable		 5wbvA-2cb9A:
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.
5WBV_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 2cb9 FENGYCIN SYNTHETASE
(Bacillus
subtilis) 		5 / 12 GLY A 199
ALA A 200
SER A  84
TYR A 113
PHE A 166
 None
None
ACY  A1225 (-2.5A)
None
None
 1.03A 5wbvB-2cb9A:
undetectable		 5wbvB-2cb9A:
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.
5X1B_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 3fg4 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN
(Plexaura
homomalla) 		3 / 3 ARG A 861
PHE A 609
LEU A 855
 None
ACY  A2201 (-3.8A)
None
 0.92A 5x1bC-3fg4A:
2.2		 5x1bC-3fg4A:
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.
5X7F_A_SAMA301_0
(PUTATIVE
O-METHYLTRANSFERASE
RV1220C)		 2qc3 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Mycobacterium
tuberculosis) 		5 / 12 VAL A  64
GLY A  89
VAL A  92
ILE A  86
ALA A 219
 None
None
ACY  A 500 (-3.4A)
None
None
 0.95A 5x7fA-2qc3A:
undetectable		 5x7fA-2qc3A:
26.73
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.
5X7P_B_ACRB1481_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 1mk2 SMAD 3
(Homo
sapiens) 		4 / 6 SER A 235
HIS A 398
ARG A 372
GLU A 396
 None
None
ACY  A   2 (-4.5A)
None
 1.23A 5x7pB-1mk2A:
undetectable		 5x7pB-1mk2A:
10.42
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.
5X7Q_A_ACRA1481_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 1mk2 SMAD 3
(Homo
sapiens) 		4 / 6 SER A 235
HIS A 398
ARG A 372
GLU A 396
 None
None
ACY  A   2 (-4.5A)
None
 1.22A 5x7qA-1mk2A:
0.0		 5x7qA-1mk2A:
10.42
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.
5X7Q_B_ACRB1481_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 1mk2 SMAD 3
(Homo
sapiens) 		4 / 6 SER A 235
HIS A 398
ARG A 372
GLU A 396
 None
None
ACY  A   2 (-4.5A)
None
 1.23A 5x7qB-1mk2A:
undetectable		 5x7qB-1mk2A:
10.42
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.
5X7R_A_ACRA1481_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 1mk2 SMAD 3
(Homo
sapiens) 		4 / 6 SER A 235
HIS A 398
ARG A 372
GLU A 396
 None
None
ACY  A   2 (-4.5A)
None
 1.19A 5x7rA-1mk2A:
undetectable		 5x7rA-1mk2A:
10.42
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.
5X7R_B_ACRB1481_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 1mk2 SMAD 3
(Homo
sapiens) 		4 / 6 SER A 235
HIS A 398
ARG A 372
GLU A 396
 None
None
ACY  A   2 (-4.5A)
None
 1.19A 5x7rB-1mk2A:
0.0		 5x7rB-1mk2A:
10.42
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.
5XOO_B_ADNB503_1
(GLYCOSAMINOGLYCAN
XYLOSYLKINASE)		 2g4s NEXT TO BRCA1 GENE 1
PROTEIN
(Homo
sapiens) 		4 / 5 LEU A   7
VAL A   5
GLU A   2
LEU A  68
 None
None
None
ACY  A  87 (-4.5A)
 1.11A 5xooB-2g4sA:
undetectable		 5xooB-2g4sA:
23.23
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.
5XOO_B_ADNB503_1
(GLYCOSAMINOGLYCAN
XYLOSYLKINASE)		 2hu9 MERCURIC TRANSPORT
PROTEIN PERIPLASMIC
COMPONENT
(Archaeoglobus
fulgidus) 		4 / 5 TRP A 121
VAL A  74
GLU A  82
LEU A 126
 ACY  A 301 (-4.9A)
ACY  A 301 ( 4.9A)
None
None
 1.00A 5xooB-2hu9A:
undetectable		 5xooB-2hu9A:
14.39
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.
5XPR_A_K86A1201_1
(ENDOTHELIN B
RECEPTOR,ENDOLYSIN,E
NDOTHELIN B RECEPTOR)		 1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE
(Klebsiella
aerogenes) 		5 / 12 LEU A 218
TRP A  96
LEU A 162
HIS A 161
ALA A  94
 None
ACY  A1403 (-4.1A)
None
ZN  A 508 (-3.2A)
ACY  A1403 ( 4.1A)
 1.43A 5xprA-1zkjA:
0.0		 5xprA-1zkjA:
22.48
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.
5XXG_A_SAMA502_0
(SMYD3)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		5 / 12 GLY A 175
ASN A 176
GLU A 145
ASN A  51
TYR A 151
 None
None
ACY  A 460 ( 4.3A)
ACY  A 460 (-3.8A)
None
 1.34A 5xxgA-1whsA:
undetectable		 5xxgA-1whsA:
21.03
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.
5XXJ_A_SAMA505_0
(SMYD3)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		5 / 12 GLY A 175
ASN A 176
GLU A 145
ASN A  51
TYR A 151
 None
None
ACY  A 460 ( 4.3A)
ACY  A 460 (-3.8A)
None
 1.34A 5xxjA-1whsA:
undetectable		 5xxjA-1whsA:
21.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		 1ddk IMP-1 METALLO
BETA-LACTAMASE
(Pseudomonas
aeruginosa) 		6 / 8 HIS A  79
ASP A  81
HIS A 139
CYH A 158
ASN A 167
HIS A 197
 ZN  A 500 (-3.4A)
ZN  A 501 ( 2.7A)
ZN  A 500 (-3.3A)
ZN  A 501 ( 2.4A)
ACY  A 510 (-4.4A)
ZN  A 501 ( 3.4A)
 0.49A 5zj8A-1ddkA:
14.9		 5zj8A-1ddkA:
33.47
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.
5ZWR_A_9KLA402_0
(EST-Y29)		 3zx2 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 1
(Rattus
norvegicus) 		5 / 12 PHE A 440
ILE A 438
LEU A 211
GLY A 417
LEU A 213
 None
None
None
ACY  A 511 (-3.4A)
None
 1.17A 5zwrA-3zx2A:
undetectable		 5zwrA-3zx2A:
23.66
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.
6AG0_A_ACRA608_0
(ALPHA-AMYLASE)		 5ume 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE
(Haemophilus
influenzae) 		4 / 6 GLY A 208
THR A 180
GLN A 181
TYR A 273
 None
None
ACY  A 302 ( 3.9A)
ACY  A 302 ( 4.0A)
 1.13A 6ag0A-5umeA:
6.7		 6ag0A-5umeA:
16.96
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.
6AG0_C_ACRC606_0
(ALPHA-AMYLASE)		 5ume 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE
(Haemophilus
influenzae) 		4 / 6 GLY A 208
THR A 180
GLN A 181
TYR A 273
 None
None
ACY  A 302 ( 3.9A)
ACY  A 302 ( 4.0A)
 1.10A 6ag0C-5umeA:
10.2		 6ag0C-5umeA:
16.96
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.
6APH_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		 2gvk HEME PEROXIDASE
(Bacteroides
thetaiotaomicron) 		4 / 5 THR A 235
THR A 260
HIS A 194
LEU A 292
 None
ACY  A 327 ( 3.9A)
ACY  A 327 (-4.4A)
None
 1.18A 6aphA-2gvkA:
undetectable		 6aphA-2gvkA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AV7_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 7 SER A  53
VAL A 290
TRP A  54
PHE A 301
 ACY  A 702 ( 4.9A)
None
None
None
 1.35A 6av7A-4f9dA:
undetectable
6av7B-4f9dA:
0.0		 6av7A-4f9dA:
8.56
6av7B-4f9dA:
8.56
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.
6AYC_A_1YNA502_1
(PROTEIN CYP51)		 3u7v BETA-GALACTOSIDASE
(Caulobacter
vibrioides) 		5 / 12 PHE A 260
TYR A 272
ALA A 187
LEU A 124
MET A 276
 None
None
ACY  A 550 (-4.6A)
None
None
 1.34A 6aycA-3u7vA:
undetectable		 6aycA-3u7vA:
10.78
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.
6BBS_A_BZ1A302_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 12 ILE A 112
GLN A 113
HIS A 115
HIS A 117
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.52A 6bbsA-1y7wA:
21.9		 6bbsA-1y7wA:
15.62
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.
6BC9_A_ETSA302_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		8 / 12 GLN A 113
HIS A 115
HIS A 117
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.20A 6bc9A-1y7wA:
26.2		 6bc9A-1y7wA:
15.62
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.
6BCC_A_EZLA302_1
(CARBONIC ANHYDRASE 2)		 1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)
(Dunaliella
salina) 		9 / 12 GLN A 113
HIS A 115
HIS A 117
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.26A 6bccA-1y7wA:
26.1		 6bccA-1y7wA:
15.62
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.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)		 1vpa 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE
(Thermotoga
maritima) 		3 / 3 ARG A 105
ARG A  14
ARG A  79
 None
ACY  A 700 ( 3.1A)
None
 0.82A 6bplA-1vpaA:
undetectable
6bplB-1vpaA:
undetectable		 6bplA-1vpaA:
15.04
6bplB-1vpaA:
15.04
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.
6C2M_A_SUEA1202_1
(NS3 PROTEASE)		 5whm ICLR FAMILY
TRANSCRIPTIONAL
REGULATOR
(Brucella
abortus) 		5 / 9 VAL A 247
HIS A 242
ALA A 237
VAL A 236
SER A 235
 None
None
None
None
ACY  A 301 (-3.4A)
 1.41A 6c2mA-5whmA:
undetectable		 6c2mA-5whmA:
14.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CB4_A_BEZA501_0
(CANAVALIN)		 2eaa 7S GLOBULIN-3
(Vigna
angularis) 		5 / 8 HIS A 281
ASN A 283
VAL A 288
ILE A 334
ARG A 362
 ACY  A 460 (-4.0A)
ACY  A 460 (-3.1A)
None
ACY  A 460 (-4.7A)
ACY  A 460 (-4.5A)
 0.36A 6cb4A-2eaaA:
47.5		 6cb4A-2eaaA:
51.52
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.
6CGD_A_AKNA600_1
(BIFUNCTIONAL AAC/APH)		 3gip N-ACYL-D-GLUTAMATE
DEACYLASE
(Bordetella
bronchiseptica) 		5 / 10 GLY A 187
TYR A 190
ASP A 365
TYR A 282
TYR A 343
 None
ACY  A 481 (-4.6A)
ACY  A 481 ( 2.5A)
FMT  A 482 (-4.4A)
FMT  A 483 (-4.4A)
 1.44A 6cgdA-3gipA:
undetectable		 6cgdA-3gipA:
9.59
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 1fu1 DNA REPAIR PROTEIN
XRCC4
(Homo
sapiens) 		5 / 12 LEU A  28
ILE A  34
LEU A 108
ALA A  73
TYR A  66
 None
None
ACY  A 501 ( 4.9A)
None
None
 1.08A 6djzA-1fu1A:
undetectable		 6djzA-1fu1A:
20.75
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 1fu1 DNA REPAIR PROTEIN
XRCC4
(Homo
sapiens) 		5 / 12 LEU A  28
ILE A  34
THR A  37
LEU A 108
TYR A  66
 None
None
None
ACY  A 501 ( 4.9A)
None
 1.24A 6djzA-1fu1A:
undetectable		 6djzA-1fu1A:
20.75
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.
6DWD_B_GLYB709_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 5l09 QUORUM-SENSING
TRANSCRIPTIONAL
ACTIVATOR
(Yersinia
enterocolitica) 		4 / 5 GLY A 129
ASN A 128
ASP A 131
ARG A  30
 SO4  A 202 (-3.6A)
None
SO4  A 202 ( 4.3A)
ACY  A 206 ( 3.1A)
 1.30A 6dwdB-5l09A:
undetectable
6dwdD-5l09A:
undetectable		 6dwdB-5l09A:
16.27
6dwdD-5l09A:
16.27
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.
6EFN_A_SAMA501_0
(SPORULATION KILLING
FACTOR MATURATION
PROTEIN SKFB)		 1xg5 ARPG836
(Homo
sapiens) 		5 / 11 THR A 203
PHE A 205
ALA A 101
THR A 163
LEU A 158
 NAP  A1301 (-2.6A)
ACY  A1401 ( 3.9A)
None
None
None
 1.44A 6efnA-1xg5A:
2.0		 6efnA-1xg5A:
22.28
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.
6EKU_A_ZMRA901_2
(SIALIDASE)		 2p12 HYPOTHETICAL PROTEIN
DUF402
(Rhodococcus
jostii) 		4 / 6 ASN A  23
LEU A  57
SER A  49
PHE A  72
 None
None
ACY  A 601 (-2.5A)
GOL  A 603 (-4.0A)
 1.15A 6ekuA-2p12A:
undetectable		 6ekuA-2p12A:
12.91
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.
6F8C_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		 1xe7 HYPOTHETICAL 22.5
KDA PROTEIN IN
TUB1-CPR3 INTERGENIC
REGION
(Saccharomyces
cerevisiae) 		4 / 6 GLY A 170
THR A  80
ILE A  82
PHE A  48
 None
ACY  A 307 (-3.5A)
ACY  A 307 ( 3.9A)
GUN  A 210 (-4.5A)
 0.83A 6f8cA-1xe7A:
undetectable		 6f8cA-1xe7A:
15.62
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.
6FBV_D_FI8D1904_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		 2qc3 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Mycobacterium
tuberculosis) 		4 / 8 ILE A  95
GLN A  60
VAL A 189
SER A  11
 None
ACY  A 500 ( 4.7A)
None
None
 1.13A 6fbvC-2qc3A:
0.1		 6fbvC-2qc3A:
14.09
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.
6FGC_A_ACTA811_0
(GEPHYRIN)		 5e5u CONTACTIN-6
(Mus
musculus) 		3 / 3 LEU B 181
LEU B 164
ARG B 172
 None
ACY  B 401 ( 4.8A)
ACY  B 401 ( 2.6A)
 0.66A 6fgcA-5e5uB:
undetectable		 6fgcA-5e5uB:
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.
6FGD_A_ACTA810_0
(GEPHYRIN)		 5e5u CONTACTIN-6
(Mus
musculus) 		3 / 3 LEU B 181
LEU B 164
ARG B 172
 None
ACY  B 401 ( 4.8A)
ACY  B 401 ( 2.6A)
 0.65A 6fgdA-5e5uB:
undetectable		 6fgdA-5e5uB:
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.
6GBN_B_ADNB501_2
(-)		 2gvk HEME PEROXIDASE
(Bacteroides
thetaiotaomicron) 		4 / 5 THR A 235
THR A 260
HIS A 194
LEU A 292
 None
ACY  A 327 ( 3.9A)
ACY  A 327 (-4.4A)
None
 1.17A 6gbnB-2gvkA:
undetectable		 6gbnB-2gvkA:
22.25
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.
6GBN_C_ADNC501_2
(-)		 3dci ARYLESTERASE
(Agrobacterium
fabrum) 		4 / 5 THR A  89
THR A 193
HIS A  23
GLY A   8
 ACY  A 220 ( 4.2A)
None
None
None
 1.15A 6gbnC-3dciA:
5.8		 6gbnC-3dciA:
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.
6GBN_C_ADNC501_2
(-)		 3dci ARYLESTERASE
(Agrobacterium
fabrum) 		4 / 5 THR A  89
THR A 193
HIS A  23
GLY A  49
 ACY  A 220 ( 4.2A)
None
None
ACY  A 220 ( 3.8A)
 1.08A 6gbnC-3dciA:
5.8		 6gbnC-3dciA:
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.
6GNG_A_QPSA601_2
(-)		 1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE
(Archaeoglobus
fulgidus) 		5 / 12 GLU A 255
GLY A 290
TYR A 164
VAL A 285
GLY A 238
 None
None
ACY  A 502 (-4.5A)
None
None
 1.13A 6gngA-1zx5A:
undetectable		 6gngA-1zx5A:
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.
6I0Y_A_TRPA3001_0
(23S RIBOSOMAL RNA
TRYPTOPHANASE OPERON
LEADER PEPTIDE)		 3u24 PUTATIVE LIPOPROTEIN
(Shewanella
oneidensis) 		3 / 3 TRP A 123
ILE A 125
ASP A 124
 None
None
ACY  A 599 (-2.4A)
 0.76A 6i0y7-3u24A:
undetectable		 6i0y7-3u24A:
3.56
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.
6IEY_A_CLMA401_0
(ESTERASE)		 1uis RED FLUORESCENT
PROTEIN FP611
(Entacmaea
quadricolor) 		5 / 11 ILE A  70
TYR A 178
LEU A 154
GLY A 156
SER A 158
 ACY  A1001 (-4.8A)
None
None
None
NRQ  A  63 ( 2.4A)
 1.05A 6ieyA-1uisA:
undetectable
6ieyB-1uisA:
undetectable		 6ieyA-1uisA:
21.34
6ieyB-1uisA:
21.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6JNH_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 3nv7 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Helicobacter
pylori) 		5 / 7 GLY A   9
THR A  10
PHE A  11
HIS A  18
ARG A  91
 ACY  A 162 (-3.6A)
SO4  A 160 (-4.0A)
ACY  A 162 (-4.1A)
SO4  A 158 ( 4.1A)
SO4  A 158 ( 3.8A)
 0.98A 6jnhA-3nv7A:
12.1		 6jnhA-3nv7A:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6JOG_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 3nv7 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Helicobacter
pylori) 		4 / 6 GLY A   9
THR A  10
HIS A  18
ARG A  91
 ACY  A 162 (-3.6A)
SO4  A 160 (-4.0A)
SO4  A 158 ( 4.1A)
SO4  A 158 ( 3.8A)
 1.10A 6jogA-3nv7A:
12.0		 6jogA-3nv7A:
42.86
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.
6MHT_D_SAMD328_0
(CYTOSINE-SPECIFIC
METHYLTRANSFERASE
HHAI)		 5v38 HCHA
(Clostridium
botulinum) 		5 / 12 PHE A1047
GLY A 893
ASP A1050
ILE A1045
SER A 907
 ACY  A1302 (-3.8A)
None
None
None
None
 0.87A 6mhtA-5v38A:
undetectable		 6mhtA-5v38A:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		 3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT
ACETYL-COA
DECARBOXYLASE/SYNTHA
SE EPSILON SUBUNIT
(Methanosarcina
barkeri;
Methanosarcina
barkeri) 		5 / 12 VAL A 653
HIS A 734
TYR G  84
ILE G  85
ASN G  86
 None
ACY  A 818 (-3.8A)
ACY  A 818 ( 4.9A)
None
None
 1.49A 6mxtA-3cf4A:
undetectable		 6mxtA-3cf4A:
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.
6NMP_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1pp0 VOLVATOXIN A2
(Volvariella
volvacea) 		4 / 6 GLN A   8
PHE A   7
LEU A 153
PHE A  90
 ACY  A4004 (-3.0A)
None
None
None
 1.30A 6nmpC-1pp0A:
undetectable
6nmpJ-1pp0A:
0.0		 6nmpC-1pp0A:
18.63
6nmpJ-1pp0A:
14.51