SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'MPD'


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.
1A29_A_TFPA153_1
(CALMODULIN)		 2cff 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)
METHYLIDENEAMINO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE
(Thermotoga
maritima) 		5 / 8 ILE A 161
LEU A 126
GLU A 186
ALA A 187
VAL A 189
 None
MPD  A1242 (-4.6A)
None
None
None
 1.38A 1a29A-2cffA:
undetectable		 1a29A-2cffA:
18.75
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.
1A8U_A_BEZA295_0
(CHLOROPEROXIDASE T)		 4x90 GROUP XV
PHOSPHOLIPASE A2
(Homo
sapiens) 		5 / 10 GLY A  12
SER A 165
MET A 166
THR A 329
HIS A 359
 None
MPD  A 409 (-3.5A)
None
None
None
 0.61A 1a8uA-4x90A:
13.3		 1a8uA-4x90A:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A8U_B_BEZB294_0
(CHLOROPEROXIDASE T)		 4x90 GROUP XV
PHOSPHOLIPASE A2
(Homo
sapiens) 		5 / 10 GLY A  12
SER A 165
MET A 166
THR A 329
HIS A 359
 None
MPD  A 409 (-3.5A)
None
None
None
 0.58A 1a8uB-4x90A:
13.0		 1a8uB-4x90A:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AV2_A_DVAA6_0
(GRAMICIDIN A)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		3 / 3 ALA A  85
VAL A 101
TRP A 102
 None
None
MPD  A   1 ( 3.9A)
 0.89A 1av2A-2d4wA:
undetectable
1av2B-2d4wA:
undetectable		 1av2A-2d4wA:
4.98
1av2B-2d4wA:
4.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AV2_D_DVAD6_0
(GRAMICIDIN A)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		3 / 3 TRP A 102
ALA A  85
VAL A 101
 MPD  A   1 ( 3.9A)
None
None
 0.91A 1av2C-2d4wA:
undetectable
1av2D-2d4wA:
undetectable		 1av2C-2d4wA:
4.98
1av2D-2d4wA:
4.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BDW_A_DVAA6_0
(GRAMICIDIN A)		 5kqi CATALASE-PEROXIDASE
(Burkholderia
pseudomallei) 		3 / 3 ALA A 295
VAL A 293
TRP A 309
 None
MPD  A 806 ( 4.6A)
None
 0.93A 1bdwA-5kqiA:
undetectable
1bdwB-5kqiA:
undetectable		 1bdwA-5kqiA:
3.39
1bdwB-5kqiA:
3.39
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.
1CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		5 / 10 PHE A 182
ALA A 199
LEU A 143
VAL A  70
TYR A  96
 None
MPD  A2002 (-3.7A)
None
None
None
 1.27A 1claA-3afoA:
undetectable		 1claA-3afoA:
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.
1CMA_B_SAMB105_0
(PROTEIN (MET
REPRESSOR))		 4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN
(Lactobacillus
acidophilus) 		5 / 11 GLU A  82
ARG A  81
LEU A 217
HIS A 206
HIS A  86
 MPD  A 604 (-3.2A)
MPD  A 605 ( 4.1A)
MPD  A 604 (-4.6A)
None
None
 1.15A 1cmaA-4ia5A:
undetectable
1cmaB-4ia5A:
undetectable		 1cmaA-4ia5A:
11.84
1cmaB-4ia5A:
11.84
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.
1CMC_A_SAMA105_0
(MET REPRESSOR)		 1kwg BETA-GALACTOSIDASE
(Thermus
thermophilus) 		5 / 10 GLY A 577
ARG A 560
GLU A 586
LEU A 583
PRO A 478
 MPD  A 803 (-3.6A)
ACT  A 805 (-4.0A)
ACT  A 805 ( 4.2A)
ACT  A 805 ( 4.8A)
None
 1.38A 1cmcA-1kwgA:
undetectable
1cmcB-1kwgA:
undetectable		 1cmcA-1kwgA:
9.03
1cmcB-1kwgA:
9.03
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.
1CTR_A_TFPA153_1
(CALMODULIN)		 3dcx PROTEIN OF UNKNOWN
FUNCTION (DUF1696)
WITH
PLECKSTRIN-HOMOLOGY
DOMAINS
(Shewanella
loihica) 		5 / 9 ILE A 115
GLU A  78
GLU A  80
ALA A  89
VAL A 112
 MPD  A   5 ( 4.9A)
None
None
None
None
 1.12A 1ctrA-3dcxA:
undetectable		 1ctrA-3dcxA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DB1_A_VDXA428_1
(VITAMIN D NUCLEAR
RECEPTOR)		 4ew9 PECTATE LYASE
(Caldicellulosiru
ptor
bescii) 		5 / 12 LEU A  53
LEU A  47
VAL A  14
VAL A  56
LEU A   6
 None
None
None
None
MPD  A 207 ( 3.8A)
 1.35A 1db1A-4ew9A:
undetectable		 1db1A-4ew9A:
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.
1DDS_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 4x90 GROUP XV
PHOSPHOLIPASE A2
(Homo
sapiens) 		5 / 12 ILE A  61
ALA A 230
LEU A  14
ILE A 215
LEU A  49
 None
None
MPD  A 408 ( 4.6A)
MPD  A 411 (-3.8A)
None
 1.14A 1ddsB-4x90A:
undetectable		 1ddsB-4x90A:
17.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 5z0u NEOPULLULANASE 1
(Thermoactinomyce
s
vulgaris) 		6 / 12 HIS A 221
TYR A 223
GLU A 396
HIS A 471
ASP A 516
ARG A 520
 MPD  A 704 (-4.0A)
None
None
None
None
None
 0.97A 1dedA-5z0uA:
34.6		 1dedA-5z0uA:
8.71
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 5z0u NEOPULLULANASE 1
(Thermoactinomyce
s
vulgaris) 		7 / 12 HIS A 221
TYR A 223
LEU A 311
ASP A 356
HIS A 471
ASP A 516
ARG A 520
 MPD  A 704 (-4.0A)
None
None
None
None
None
None
 0.81A 1dedA-5z0uA:
34.6		 1dedA-5z0uA:
8.71
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 5z0u NEOPULLULANASE 1
(Thermoactinomyce
s
vulgaris) 		8 / 12 HIS A 221
TYR A 223
LEU A 316
ASP A 356
ALA A 357
HIS A 471
ASP A 516
ARG A 520
 MPD  A 704 (-4.0A)
None
None
None
None
None
None
None
 0.73A 1dedA-5z0uA:
34.6		 1dedA-5z0uA:
8.71
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 5z0u NEOPULLULANASE 1
(Thermoactinomyce
s
vulgaris) 		9 / 12 HIS A 221
TYR A 223
ARG A 354
ASP A 356
ALA A 357
GLU A 396
HIS A 471
ASP A 472
ARG A 520
 MPD  A 704 (-4.0A)
None
None
None
None
None
None
None
None
 0.68A 1dedB-5z0uA:
42.0		 1dedB-5z0uA:
8.71
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 5z0u NEOPULLULANASE 1
(Thermoactinomyce
s
vulgaris) 		7 / 12 HIS A 221
TYR A 223
ASP A 356
GLU A 396
PHE A 417
HIS A 471
ARG A 520
 MPD  A 704 (-4.0A)
None
None
None
None
None
None
 1.33A 1dedB-5z0uA:
42.0		 1dedB-5z0uA:
8.71
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.
1DFO_A_FFOA1002_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1kwg BETA-GALACTOSIDASE
(Thermus
thermophilus) 		5 / 12 LEU A 579
GLY A 577
LEU A 583
ALA A 433
PHE A 481
 None
MPD  A 803 (-3.6A)
ACT  A 805 ( 4.8A)
MPD  A 803 (-3.6A)
None
 1.05A 1dfoA-1kwgA:
undetectable		 1dfoA-1kwgA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DFO_B_FFOB2002_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1kwg BETA-GALACTOSIDASE
(Thermus
thermophilus) 		5 / 12 LEU A 579
GLY A 577
LEU A 583
ALA A 433
PHE A 481
 None
MPD  A 803 (-3.6A)
ACT  A 805 ( 4.8A)
MPD  A 803 (-3.6A)
None
 1.06A 1dfoB-1kwgA:
undetectable		 1dfoB-1kwgA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DFO_C_FFOC3002_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1kwg BETA-GALACTOSIDASE
(Thermus
thermophilus) 		5 / 12 LEU A 579
GLY A 577
LEU A 583
ALA A 433
PHE A 481
 None
MPD  A 803 (-3.6A)
ACT  A 805 ( 4.8A)
MPD  A 803 (-3.6A)
None
 1.06A 1dfoC-1kwgA:
undetectable		 1dfoC-1kwgA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DFO_D_FFOD4002_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1kwg BETA-GALACTOSIDASE
(Thermus
thermophilus) 		5 / 12 LEU A 579
GLY A 577
LEU A 583
ALA A 433
PHE A 481
 None
MPD  A 803 (-3.6A)
ACT  A 805 ( 4.8A)
MPD  A 803 (-3.6A)
None
 1.06A 1dfoD-1kwgA:
undetectable		 1dfoD-1kwgA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHI_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 3a1z HEMOLYMPH JUVENILE
HORMONE BINDING
PROTEIN
(Bombyx
mori) 		5 / 11 ILE A  60
ALA A  52
LEU A 185
LEU A 169
ILE A 103
 MPD  A 232 ( 4.4A)
None
None
None
None
 1.08A 1dhiB-3a1zA:
undetectable		 1dhiB-3a1zA:
22.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		5 / 8 SER A 102
VAL A 104
ARG A 365
ALA A 446
TRP A 447
 None
MPD  A 605 (-4.7A)
MPD  A 605 ( 4.7A)
MPD  A 605 (-3.5A)
MPD  A 605 ( 4.0A)
 0.35A 1dmiA-1m9qA:
60.9
1dmiB-1m9qA:
60.8		 1dmiA-1m9qA:
95.17
1dmiB-1m9qA:
95.17
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.
1DYI_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		 4x90 GROUP XV
PHOSPHOLIPASE A2
(Homo
sapiens) 		5 / 12 ILE A  61
ALA A 230
LEU A  14
ILE A 215
LEU A  49
 None
None
MPD  A 408 ( 4.6A)
MPD  A 411 (-3.8A)
None
 1.07A 1dyiB-4x90A:
undetectable		 1dyiB-4x90A:
17.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E9L_A_GCSA800_1
(YM1 SECRETORY
PROTEIN)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		5 / 9 TYR A   6
GLY A  73
MET A 183
TYR A 185
TRP A 317
 MPD  A 401 (-3.5A)
MPD  A 401 (-3.9A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
MPD  A 401 (-3.8A)
 1.24A 1e9lA-4uriA:
44.0		 1e9lA-4uriA:
31.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E9L_A_GCSA800_1
(YM1 SECRETORY
PROTEIN)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		7 / 9 TYR A   6
PHE A  30
GLY A  72
ASP A 114
MET A 183
TYR A 185
TRP A 317
 MPD  A 401 (-3.5A)
None
MPD  A 401 ( 4.6A)
MPD  A 401 (-4.3A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
MPD  A 401 (-3.8A)
 0.92A 1e9lA-4uriA:
44.0		 1e9lA-4uriA:
31.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E9L_A_GCSA800_1
(YM1 SECRETORY
PROTEIN)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		7 / 9 TYR A   6
PHE A  30
GLY A  72
MET A 183
TYR A 185
ASP A 186
TRP A 317
 MPD  A 401 (-3.5A)
None
MPD  A 401 ( 4.6A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
None
MPD  A 401 (-3.8A)
 0.85A 1e9lA-4uriA:
44.0		 1e9lA-4uriA:
31.43
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.
1EPB_A_9CRA165_2
(EPIDIDYMAL RETINOIC
ACID-BINDING PROTEIN)		 2q3l UNCHARACTERIZED
PROTEIN
(Shewanella
loihica) 		4 / 7 LEU A  21
ALA A  55
VAL A  87
TYR A  34
 None
None
None
MPD  A 129 (-4.3A)
 0.78A 1epbA-2q3lA:
undetectable		 1epbA-2q3lA:
23.95
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.
1EQB_A_FFOA1293_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1kwg BETA-GALACTOSIDASE
(Thermus
thermophilus) 		5 / 12 LEU A 579
GLY A 577
LEU A 583
ALA A 433
PHE A 481
 None
MPD  A 803 (-3.6A)
ACT  A 805 ( 4.8A)
MPD  A 803 (-3.6A)
None
 1.00A 1eqbA-1kwgA:
undetectable		 1eqbA-1kwgA:
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.
1EQB_B_FFOB2293_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1kwg BETA-GALACTOSIDASE
(Thermus
thermophilus) 		5 / 12 LEU A 579
GLY A 577
LEU A 583
ALA A 433
PHE A 481
 None
MPD  A 803 (-3.6A)
ACT  A 805 ( 4.8A)
MPD  A 803 (-3.6A)
None
 0.99A 1eqbB-1kwgA:
undetectable		 1eqbB-1kwgA:
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.
1EQB_C_FFOC3293_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1kwg BETA-GALACTOSIDASE
(Thermus
thermophilus) 		5 / 12 LEU A 579
GLY A 577
LEU A 583
ALA A 433
PHE A 481
 None
MPD  A 803 (-3.6A)
ACT  A 805 ( 4.8A)
MPD  A 803 (-3.6A)
None
 1.01A 1eqbC-1kwgA:
undetectable		 1eqbC-1kwgA:
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.
1EQB_D_FFOD4293_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1kwg BETA-GALACTOSIDASE
(Thermus
thermophilus) 		5 / 12 LEU A 579
GLY A 577
LEU A 583
ALA A 433
PHE A 481
 None
MPD  A 803 (-3.6A)
ACT  A 805 ( 4.8A)
MPD  A 803 (-3.6A)
None
 1.00A 1eqbD-1kwgA:
undetectable		 1eqbD-1kwgA:
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.
1FML_A_RTLA401_0
(RETINOL DEHYDRATASE)		 2obe HEXON
(Human
mastadenovirus
E) 		5 / 12 TYR A 681
TYR A 687
TYR A 897
LEU A 633
LEU A 694
 MPD  A1704 ( 4.7A)
None
None
None
None
 1.41A 1fmlA-2obeA:
undetectable		 1fmlA-2obeA:
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.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		 2obe HEXON
(Human
mastadenovirus
E) 		4 / 7 PHE A 655
PHE A 855
ALA A 654
PHE A 903
 None
None
None
MPD  A1706 ( 4.2A)
 1.19A 1fxvA-2obeA:
undetectable
1fxvB-2obeA:
undetectable		 1fxvA-2obeA:
12.45
1fxvB-2obeA:
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.
1GMK_A_DVAA6_0
(GRAMICIDIN A)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		3 / 3 ALA A  85
VAL A 101
TRP A 102
 None
None
MPD  A   1 ( 3.9A)
 0.96A 1gmkA-2d4wA:
undetectable
1gmkB-2d4wA:
undetectable		 1gmkA-2d4wA:
4.98
1gmkB-2d4wA:
4.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GMK_C_DVAC6_0
(GRAMICIDIN A)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		3 / 3 ALA A  85
VAL A 101
TRP A 102
 None
None
MPD  A   1 ( 3.9A)
 1.02A 1gmkC-2d4wA:
undetectable
1gmkD-2d4wA:
undetectable		 1gmkC-2d4wA:
4.98
1gmkD-2d4wA:
4.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GSF_A_EAAA223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 5nb3 PHYCOERYTHRIN BETA
SUBUNIT,PHYCOERYTHRI
N BETA SUBUNIT
(Phormidium
rubidum) 		4 / 8 PHE M  28
GLY M  32
LEU M  36
PHE M   5
 None
MPD  M 204 ( 4.0A)
PEB  M 187 (-4.2A)
None
 0.82A 1gsfA-5nb3M:
undetectable		 1gsfA-5nb3M:
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.
1GSF_B_EAAB223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 5nb3 PHYCOERYTHRIN BETA
SUBUNIT,PHYCOERYTHRI
N BETA SUBUNIT
(Phormidium
rubidum) 		4 / 8 PHE M  28
GLY M  32
LEU M  36
PHE M   5
 None
MPD  M 204 ( 4.0A)
PEB  M 187 (-4.2A)
None
 0.83A 1gsfB-5nb3M:
undetectable		 1gsfB-5nb3M:
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.
1GSF_D_EAAD223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 5nb3 PHYCOERYTHRIN BETA
SUBUNIT,PHYCOERYTHRI
N BETA SUBUNIT
(Phormidium
rubidum) 		4 / 8 PHE M  28
GLY M  32
LEU M  36
PHE M   5
 None
MPD  M 204 ( 4.0A)
PEB  M 187 (-4.2A)
None
 0.83A 1gsfD-5nb3M:
undetectable		 1gsfD-5nb3M:
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.
1GTN_K_TRPK81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 2ess ACYL-ACP
THIOESTERASE
(Bacteroides
thetaiotaomicron) 		4 / 7 THR A  82
SER A 111
GLY A  39
HIS A  41
 None
None
MPD  A 252 (-3.6A)
None
 0.93A 1gtnJ-2essA:
undetectable
1gtnK-2essA:
undetectable		 1gtnJ-2essA:
17.60
1gtnK-2essA:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H4O_A_BEZA1162_0
(PEROXIREDOXIN 5)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 10 THR L 293
GLY L 291
LEU L 392
PHE L 296
GLY L 425
 None
None
MPD  L 604 ( 4.4A)
None
None
 1.48A 1h4oA-4u9iL:
undetectable
1h4oB-4u9iL:
undetectable		 1h4oA-4u9iL:
17.50
1h4oB-4u9iL:
17.50
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.
1H4O_G_BEZG1162_0
(PEROXIREDOXIN 5)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 8 THR L 293
GLY L 291
LEU L 392
PHE L 296
 None
None
MPD  L 604 ( 4.4A)
None
 0.76A 1h4oG-4u9iL:
undetectable		 1h4oG-4u9iL:
17.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		 1i3g ANTIBODY FV FRAGMENT
(Mus
musculus) 		11 / 12 TYR L  44
GLN L 107
TYR L 135
LEU L 137
PHE L 139
TRP H  40
ASN H  42
VAL H  44
ASN H  57
ALA H 107
TRP H 139
 None
MPD  L 500 (-3.1A)
None
None
None
None
MPD  L 500 (-3.8A)
None
None
MPD  L 500 ( 3.9A)
MPD  L 500 (-4.5A)
 0.33A 1h8sA-1i3gL:
23.3		 1h8sA-1i3gL:
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.
1HTT_A_HISA450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5m8h ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT
(Psychrobacter
arcticus) 		5 / 10 THR A  78
TYR A  98
GLN A 118
GLU A 122
GLY A 285
 SR  A 401 (-3.4A)
None
MPD  A 407 (-4.2A)
None
MPD  A 406 ( 3.9A)
 1.14A 1httA-5m8hA:
24.9		 1httA-5m8hA:
26.89
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.
1ICT_C_T44C128_1
(TRANSTHYRETIN)		 2po2 PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2
(Pyrococcus
abyssi) 		5 / 11 LEU B 120
GLU B 185
ALA B 164
LEU B 162
VAL B 136
 None
None
None
MPD  B 280 (-4.8A)
None
 1.22A 1ictA-2po2B:
undetectable
1ictC-2po2B:
undetectable		 1ictA-2po2B:
19.32
1ictC-2po2B:
19.32
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.
1IWI_A_CAMA418_0
(CYTOCHROME P450-CAM)		 1kwg BETA-GALACTOSIDASE
(Thermus
thermophilus) 		4 / 8 THR A 247
LEU A 424
VAL A 427
VAL A 443
 None
MPD  A 802 ( 4.4A)
None
None
 0.92A 1iwiA-1kwgA:
0.0		 1iwiA-1kwgA:
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.
1J78_B_VDYB500_1
(VITAMIN D BINDING
PROTEIN)		 3w04 DWARF 88 ESTERASE
(Oryza
sativa) 		5 / 10 VAL A 244
PHE A 176
LEU A 249
LEU A 169
SER A  75
 MPD  A 401 ( 4.8A)
MPD  A 401 ( 3.7A)
None
None
None
 1.40A 1j78B-3w04A:
1.3		 1j78B-3w04A:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J96_B_TESB904_1
(3ALPHA-HYDROXYSTEROI
D DEHYDROGENASE TYPE
3)		 2vy0 ENDO-BETA-1,3-GLUCAN
ASE
(Pyrococcus
furiosus) 		4 / 7 VAL A 240
ILE A 228
GLU A 175
LEU A 156
 None
None
MPD  A1299 (-3.4A)
None
 1.04A 1j96B-2vy0A:
undetectable		 1j96B-2vy0A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		5 / 12 GLY A 113
GLU A 192
VAL A 208
MET A 210
ASP A 234
 ADE  A 502 (-3.6A)
ADE  A 502 (-2.9A)
ADE  A 502 (-4.5A)
MPD  A 503 ( 3.2A)
ADE  A 502 (-2.9A)
 0.61A 1jdvE-4lnaA:
22.3
1jdvF-4lnaA:
21.8		 1jdvE-4lnaA:
21.61
1jdvF-4lnaA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JG4_A_SAMA500_0
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 1wz8 ENOYL-COA HYDRATASE
(Thermus
thermophilus) 		5 / 12 VAL A 153
GLY A 149
GLY A  71
ALA A 121
VAL A  97
 None
None
MPD  A3003 ( 4.1A)
None
None
 1.00A 1jg4A-1wz8A:
undetectable		 1jg4A-1wz8A:
24.21
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.
1JTX_A_CVIA200_0
(HYPOTHETICAL
TRANSCRIPTIONAL
REGULATOR IN QACA
5'REGION)		 5huc 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE (DAHP)
SYNTHASE
(Corynebacterium
glutamicum) 		5 / 12 THR A 105
ILE A 253
TYR A 141
ILE A 161
ALA A 182
 None
MPD  A 505 (-4.6A)
None
None
None
 1.25A 1jtxA-5hucA:
undetectable		 1jtxA-5hucA:
15.89
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.
1KW0_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 5w8u ORF1AB PROTEIN
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A  90
LEU A  86
PHE A  83
LEU A  80
TYR A  72
 None
None
MPD  A 405 ( 4.7A)
None
None
 1.36A 1kw0A-5w8uA:
undetectable		 1kw0A-5w8uA:
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.
1L2I_A_CCSA417_0
(ESTROGEN RECEPTOR)		 2zbt PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermus
thermophilus) 		3 / 3 GLU A  92
LYS A  84
VAL A  85
 None
MPD  A 903 (-2.9A)
None
 0.93A 1l2iA-2zbtA:
undetectable		 1l2iA-2zbtA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L2I_A_CCSA417_0
(ESTROGEN RECEPTOR)		 3mq1 MITE ALLERGEN DER P
5
(Dermatophagoides
pteronyssinus) 		3 / 3 GLU A 124
LYS A  70
VAL A  72
 None
MPD  A 210 ( 3.3A)
None
 0.87A 1l2iA-3mq1A:
undetectable		 1l2iA-3mq1A:
17.24
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.
1MJ2_A_SAMA2200_0
(PROTEIN (METHIONINE
REPRESSOR))		 4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN
(Lactobacillus
acidophilus) 		5 / 12 HIS A  86
GLU A  82
ARG A  81
LEU A 217
HIS A 206
 None
MPD  A 604 (-3.2A)
MPD  A 605 ( 4.1A)
MPD  A 604 (-4.6A)
None
 1.11A 1mj2A-4ia5A:
undetectable
1mj2B-4ia5A:
undetectable		 1mj2A-4ia5A:
11.84
1mj2B-4ia5A:
11.84
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.
1MJ2_C_SAMC2199_0
(PROTEIN (METHIONINE
REPRESSOR))		 4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN
(Lactobacillus
acidophilus) 		5 / 12 HIS A  86
GLU A  82
ARG A  81
LEU A 217
HIS A 206
 None
MPD  A 604 (-3.2A)
MPD  A 605 ( 4.1A)
MPD  A 604 (-4.6A)
None
 1.09A 1mj2C-4ia5A:
undetectable
1mj2D-4ia5A:
undetectable		 1mj2C-4ia5A:
11.84
1mj2D-4ia5A:
11.84
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.
1MJL_A_SAMA200_0
(METHIONINE REPRESSOR
PROTEIN METJ)		 4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN
(Lactobacillus
acidophilus) 		5 / 11 HIS A  86
GLU A  82
ARG A  81
LEU A 217
HIS A 206
 None
MPD  A 604 (-3.2A)
MPD  A 605 ( 4.1A)
MPD  A 604 (-4.6A)
None
 1.19A 1mjlA-4ia5A:
undetectable
1mjlB-4ia5A:
undetectable		 1mjlA-4ia5A:
11.84
1mjlB-4ia5A:
11.84
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.
1MJO_B_SAMB200_0
(METHIONINE REPRESSOR)		 2w48 SORBITOL OPERON
REGULATOR
(Klebsiella
pneumoniae) 		4 / 4 HIS A 224
ALA A 225
PHE A 226
GLY A 228
 None
None
MPD  A1317 (-4.0A)
None
 0.95A 1mjoA-2w48A:
undetectable		 1mjoA-2w48A:
14.65
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.
1MJO_C_SAMC200_0
(METHIONINE REPRESSOR)		 4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN
(Lactobacillus
acidophilus) 		5 / 12 HIS A  86
GLU A  82
ARG A  81
LEU A 217
HIS A 206
 None
MPD  A 604 (-3.2A)
MPD  A 605 ( 4.1A)
MPD  A 604 (-4.6A)
None
 1.08A 1mjoC-4ia5A:
undetectable
1mjoD-4ia5A:
undetectable		 1mjoC-4ia5A:
11.84
1mjoD-4ia5A:
11.84
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.
1MZ9_D_VDYD1001_4
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 4 THR L 162
LEU L 167
VAL L 170
LEU L 174
 None
None
MPD  S2008 ( 4.4A)
None
 0.78A 1mz9D-4u9iL:
undetectable		 1mz9D-4u9iL:
6.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N2X_B_SAMB402_1
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 3hrp UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 5 VAL A 381
SER A 379
ASP A 354
GLN A 125
 None
None
MPD  A   1 (-3.3A)
MPD  A   1 (-4.6A)
 1.47A 1n2xB-3hrpA:
undetectable		 1n2xB-3hrpA:
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.
1NBI_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ILE A 304
VAL A 343
ALA A 363
SER A 364
GLY A 197
 None
None
MPD  A 508 ( 4.8A)
None
None
 0.83A 1nbiA-2cunA:
3.1		 1nbiA-2cunA:
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.
1NBI_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ILE A 304
VAL A 343
ALA A 363
SER A 364
GLY A 197
 None
None
MPD  A 508 ( 4.8A)
None
None
 0.82A 1nbiB-2cunA:
3.1		 1nbiB-2cunA:
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.
1OLT_A_SAMA501_0
(OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE)		 1f07 COENZYME
F420-DEPENDENT
N5,N10-METHYLENETETR
AHYDROMETHANOPTERIN
REDUCTASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 GLY A 246
ILE A 227
PHE A 273
ALA A 172
GLN A 153
 None
MPO  A 331 (-4.8A)
None
MPD  A 335 ( 4.9A)
None
 1.34A 1oltA-1f07A:
0.2		 1oltA-1f07A:
21.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OM5_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 8 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.27A 1om5A-1m9qA:
59.4
1om5B-1m9qA:
59.0		 1om5A-1m9qA:
64.72
1om5B-1m9qA:
64.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_G_BEZG513_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 3q3u LIGNIN PEROXIDASE
(Trametopsis
cervina) 		4 / 5 PHE A  62
ILE A  77
PRO A 138
GLU A  78
 MPD  A 339 (-4.0A)
None
MPD  A 339 ( 4.3A)
CA  A 340 ( 4.5A)
 1.45A 1oniG-3q3uA:
undetectable
1oniH-3q3uA:
undetectable		 1oniG-3q3uA:
18.58
1oniH-3q3uA:
18.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P6K_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		5 / 6 GLN A 189
TRP A 356
VAL A 418
ALA A 423
SER A 426
 None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
MPD  A 604 ( 4.0A)
MPD  A 604 (-3.1A)
 0.69A 1p6kA-1m9qA:
59.7		 1p6kA-1m9qA:
64.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P6K_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		5 / 6 GLY A 186
GLN A 189
TRP A 356
VAL A 418
ALA A 423
 MPD  A 604 (-3.8A)
None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
MPD  A 604 ( 4.0A)
 0.15A 1p6kA-1m9qA:
59.7		 1p6kA-1m9qA:
64.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P6K_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 5 GLN A 189
TRP A 356
VAL A 418
SER A 426
 None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
MPD  A 604 (-3.1A)
 0.84A 1p6kB-1m9qA:
59.3		 1p6kB-1m9qA:
64.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P6K_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 5 GLY A 186
GLN A 189
TRP A 356
VAL A 418
 MPD  A 604 (-3.8A)
None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
 0.21A 1p6kB-1m9qA:
59.3		 1p6kB-1m9qA:
64.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		6 / 10 GLY A 113
GLU A 192
VAL A 208
GLY A 209
MET A 210
THR A 233
 ADE  A 502 (-3.6A)
ADE  A 502 (-2.9A)
ADE  A 502 (-4.5A)
ADE  A 502 (-3.5A)
MPD  A 503 ( 3.2A)
ADE  A 502 (-4.3A)
 0.35A 1pwyE-4lnaA:
37.5		 1pwyE-4lnaA:
46.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_A_C2FA801_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 3wz4 DOTI
(Legionella
pneumophila) 		5 / 12 ARG A 159
GLY A 198
SER A 200
PHE A 202
ILE A 197
 MPD  A 504 (-2.7A)
None
None
None
None
 1.42A 1q8jA-3wz4A:
undetectable		 1q8jA-3wz4A:
13.35
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.
1QCA_A_FUAA221_1
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		4 / 7 THR A 267
PHE A 178
SER A 276
LEU A 202
 NAI  A1001 (-3.7A)
MPD  A2001 ( 3.8A)
None
MPD  A2001 ( 4.8A)
 1.11A 1qcaA-3afoA:
undetectable		 1qcaA-3afoA:
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.
1R15_C_NCAC339_0
(ADP-RIBOSYL CYCLASE)		 5g56 CARBOHYDRATE BINDING
FAMILY 6
(Ruminiclostridiu
m
thermocellum) 		3 / 3 GLU A 411
ASN A 507
TRP A 481
 MPD  A1747 (-3.0A)
MPD  A1747 (-3.2A)
None
 1.27A 1r15C-5g56A:
2.0		 1r15C-5g56A:
16.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RS6_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 4 GLN A 189
TRP A 356
VAL A 418
SER A 426
 None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
MPD  A 604 (-3.1A)
 0.73A 1rs6A-1m9qA:
59.7		 1rs6A-1m9qA:
64.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RS6_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 5 GLN A 189
TRP A 356
VAL A 418
SER A 426
 None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
MPD  A 604 (-3.1A)
 0.82A 1rs6B-1m9qA:
59.2		 1rs6B-1m9qA:
64.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RS6_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 5 GLY A 186
GLN A 189
TRP A 356
VAL A 418
 MPD  A 604 (-3.8A)
None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
 0.22A 1rs6B-1m9qA:
59.2		 1rs6B-1m9qA:
64.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RS6_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 8 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.14A 1rs6A-1m9qA:
59.7
1rs6B-1m9qA:
59.2		 1rs6A-1m9qA:
64.72
1rs6B-1m9qA:
64.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RS7_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		5 / 5 GLY A 186
ILE A 188
TRP A 356
VAL A 418
SER A 426
 MPD  A 604 (-3.8A)
None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
MPD  A 604 (-3.1A)
 0.65A 1rs7A-1m9qA:
59.7		 1rs7A-1m9qA:
64.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RS7_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		5 / 6 GLY A 186
ILE A 188
GLN A 189
TRP A 356
VAL A 418
 MPD  A 604 (-3.8A)
None
None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
 0.25A 1rs7B-1m9qA:
59.3		 1rs7B-1m9qA:
64.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RS7_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		5 / 6 ILE A 188
GLN A 189
TRP A 356
VAL A 418
SER A 426
 None
None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
MPD  A 604 (-3.1A)
 0.81A 1rs7B-1m9qA:
59.3		 1rs7B-1m9qA:
64.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS7_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5e44 FNR REGULATOR
(Aliivibrio
fischeri) 		4 / 6 GLY A 153
ILE A 151
GLN A 155
SER A 148
 MPD  A 302 (-4.0A)
None
None
None
 0.81A 1rs7B-5e44A:
undetectable		 1rs7B-5e44A:
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.
1RU9_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 5z0u NEOPULLULANASE 1
(Thermoactinomyce
s
vulgaris) 		5 / 9 ALA A 357
ASN A 266
TYR A 360
PHE A 313
GLY A 312
 None
None
None
MPD  A 704 (-4.2A)
None
 1.10A 1ru9H-5z0uA:
4.5
1ru9L-5z0uA:
6.3		 1ru9H-5z0uA:
undetectable
1ru9L-5z0uA:
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.
1RUA_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 5z0u NEOPULLULANASE 1
(Thermoactinomyce
s
vulgaris) 		5 / 10 ALA A 357
ASN A 266
TYR A 360
PHE A 313
GLY A 312
 None
None
None
MPD  A 704 (-4.2A)
None
 1.12A 1ruaH-5z0uA:
4.4
1ruaL-5z0uA:
6.3		 1ruaH-5z0uA:
undetectable
1ruaL-5z0uA:
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.
1RX3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 4x90 GROUP XV
PHOSPHOLIPASE A2
(Homo
sapiens) 		5 / 12 ILE A  61
ALA A 230
LEU A  14
ILE A 215
LEU A  49
 None
None
MPD  A 408 ( 4.6A)
MPD  A 411 (-3.8A)
None
 1.17A 1rx3A-4x90A:
undetectable		 1rx3A-4x90A:
17.89
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.
1SQF_A_SAMA430_0
(SUN PROTEIN)		 4w5z CHITINASE 60
(Moritella
marina) 		5 / 12 ALA A 118
GLY A 117
GLY A 116
GLY A  45
ARG A  44
 MPD  A 402 ( 4.3A)
None
None
MPD  A 402 (-3.6A)
None
 1.04A 1sqfA-4w5zA:
undetectable		 1sqfA-4w5zA:
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.
1SV9_A_DIFA701_1
(PHOSPHOLIPASE A2)		 2q3l UNCHARACTERIZED
PROTEIN
(Shewanella
loihica) 		5 / 8 LEU A  41
ALA A  55
ILE A  53
GLY A  81
PHE A 111
 MPD  A 130 (-4.8A)
None
None
MPD  A 130 ( 3.9A)
MPD  A 130 (-4.8A)
 1.29A 1sv9A-2q3lA:
undetectable		 1sv9A-2q3lA:
20.57
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.
1T87_B_CAMB2422_0
(CYTOCHROME P450-CAM)		 3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans) 		4 / 7 LEU A  73
VAL A 151
VAL A 278
ILE A 232
 MPD  A 419 ( 4.7A)
None
None
None
 0.92A 1t87B-3wkqA:
undetectable		 1t87B-3wkqA:
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.
1T9W_A_NFNA6002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 5e1r 7S VICILIN
(Carya
illinoinensis) 		4 / 7 MET A 627
ALA A 619
PHE A 726
ASN A 617
 MPD  A 802 (-4.0A)
MPD  A 802 (-3.6A)
None
MPD  A 802 (-3.5A)
 1.34A 1t9wA-5e1rA:
undetectable		 1t9wA-5e1rA:
17.48
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.
1TT6_A_DESA129_1
(TRANSTHYRETIN)		 1sed HYPOTHETICAL PROTEIN
YHAI
(Bacillus
subtilis) 		4 / 4 LYS A  70
LEU A  74
LEU A  53
SER A  54
 MPD  A 714 ( 2.5A)
MPD  A 712 ( 4.9A)
None
None
 1.30A 1tt6A-1sedA:
undetectable		 1tt6A-1sedA:
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.
1UDU_B_CIAB2003_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 1vrm HYPOTHETICAL PROTEIN
TM1553
(Thermotoga
maritima) 		5 / 12 ALA A 205
ILE A 204
ILE A 225
VAL A 216
LEU A  53
 None
MPD  A   1 ( 4.2A)
None
None
None
 0.98A 1uduB-1vrmA:
undetectable		 1uduB-1vrmA:
21.51
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.
1UOF_A_PNNA1312_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		 5htf FOLDASE PROTEIN PRSA
1
(Listeria
monocytogenes) 		5 / 11 PHE A 164
ASP A 193
THR A 195
SER A 210
VAL A 213
 None
MPD  A 401 ( 4.3A)
None
None
None
 1.43A 1uofA-5htfA:
undetectable		 1uofA-5htfA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UPF_C_URFC999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		 5gtq LUCIFERIN
REGENERATING ENZYME
(Photinus
pyralis) 		4 / 5 MET A 125
ALA A 157
ILE A 158
ASP A 128
 None
None
MPD  A 405 ( 4.6A)
None
 1.12A 1upfC-5gtqA:
undetectable		 1upfC-5gtqA:
22.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		6 / 10 GLY A 113
GLU A 192
VAL A 208
GLY A 209
MET A 210
THR A 233
 ADE  A 502 (-3.6A)
ADE  A 502 (-2.9A)
ADE  A 502 (-4.5A)
ADE  A 502 (-3.5A)
MPD  A 503 ( 3.2A)
ADE  A 502 (-4.3A)
 0.26A 1v3qE-4lnaA:
38.5		 1v3qE-4lnaA:
46.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_C_CHDC3271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 8 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.91A 1v54C-3zhrA:
undetectable
1v54J-3zhrA:
undetectable		 1v54C-3zhrA:
14.22
1v54J-3zhrA:
6.02
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.
1V54_P_CHDP4271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 8 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.90A 1v54P-3zhrA:
undetectable
1v54W-3zhrA:
undetectable		 1v54P-3zhrA:
14.22
1v54W-3zhrA:
6.02
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.
1V8B_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3cmg PUTATIVE
BETA-GALACTOSIDASE
(Bacteroides
fragilis) 		3 / 3 GLU A 410
GLU A 451
LEU A 426
 None
MPD  A 800 ( 4.3A)
None
 0.62A 1v8bA-3cmgA:
undetectable		 1v8bA-3cmgA:
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.
1W5U_A_DVAA6_0
(GRAMICIDIN D)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		3 / 3 ALA A  85
VAL A 101
TRP A 102
 None
None
MPD  A   1 ( 3.9A)
 0.90A 1w5uA-2d4wA:
undetectable
1w5uB-2d4wA:
undetectable		 1w5uA-2d4wA:
4.98
1w5uB-2d4wA:
4.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W5U_B_DVAB6_0
(GRAMICIDIN D)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		3 / 3 TRP A 102
ALA A  85
VAL A 101
 MPD  A   1 ( 3.9A)
None
None
 0.88A 1w5uA-2d4wA:
undetectable
1w5uB-2d4wA:
undetectable		 1w5uA-2d4wA:
4.98
1w5uB-2d4wA:
4.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		5 / 11 TRP A 172
GLY A  23
GLY A  20
PHE A 243
PHE A 242
 MPD  A 265 ( 4.1A)
None
None
MPD  A 265 (-3.7A)
None
 1.22A 1w76A-3e3aA:
12.6		 1w76A-3e3aA:
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.
1WRL_A_TFPA204_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 5c90 ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT
(Staphylococcus
aureus) 		4 / 7 LEU A 126
MET A 121
VAL A 120
SER A 101
 None
None
None
MPD  A2001 (-3.3A)
 1.12A 1wrlA-5c90A:
undetectable
1wrlB-5c90A:
undetectable		 1wrlA-5c90A:
20.51
1wrlB-5c90A:
20.51
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.
1WRL_C_TFPC208_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 3dcx PROTEIN OF UNKNOWN
FUNCTION (DUF1696)
WITH
PLECKSTRIN-HOMOLOGY
DOMAINS
(Shewanella
loihica) 		4 / 5 PHE A  44
LEU A 102
PHE A  46
SER A 123
 MPD  A   5 ( 3.8A)
None
None
None
 1.17A 1wrlC-3dcxA:
undetectable		 1wrlC-3dcxA:
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.
1WSV_A_THHA3001_1
(AMINOMETHYLTRANSFERA
SE)		 4y0e PUTATIVE DIOXYGENASE
(Mycobacteroides
abscessus) 		3 / 3 ASP A 256
GLU A  44
TYR A  11
 MPD  A 402 (-3.5A)
None
None
 0.80A 1wsvA-4y0eA:
undetectable		 1wsvA-4y0eA:
22.45
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.
1XF1_A_ACTA1107_0
(C5A PEPTIDASE)		 4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN
(Lactobacillus
acidophilus) 		4 / 5 LEU A 211
GLY A 210
ILE A 208
PHE A 204
 None
None
None
MPD  A 604 (-3.6A)
 0.95A 1xf1A-4ia5A:
undetectable		 1xf1A-4ia5A:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XOZ_A_CIAA501_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		5 / 12 ALA A 644
GLN A 586
VAL A 589
PHE A 591
LEU A 606
 MPD  A1701 ( 4.0A)
None
None
None
None
 1.05A 1xozA-1kclA:
undetectable		 1xozA-1kclA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XOZ_A_CIAA501_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 1vrm HYPOTHETICAL PROTEIN
TM1553
(Thermotoga
maritima) 		5 / 12 ALA A 205
ILE A 204
ILE A 225
VAL A 216
LEU A  53
 None
MPD  A   1 ( 4.2A)
None
None
None
 0.97A 1xozA-1vrmA:
undetectable		 1xozA-1vrmA:
23.24
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.
1XVA_B_SAMB293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3ebl GIBBERELLIN RECEPTOR
GID1
(Oryza
sativa) 		5 / 12 TYR A  31
SER A 128
HIS A 120
ILE A  24
TYR A 134
 MPD  A 501 ( 4.9A)
None
None
GA4  A 401 (-4.2A)
GA4  A 401 (-4.8A)
 1.31A 1xvaB-3eblA:
2.7		 1xvaB-3eblA:
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.
1YA3_A_STRA1001_2
(MINERALOCORTICOID
RECEPTOR)		 4yhb IRON-CHELATOR
UTILIZATION PROTEIN
(Thermobifida
fusca) 		4 / 4 LEU A  56
LEU A 129
SER A  17
LEU A  68
 None
None
None
MPD  A 303 (-4.6A)
 1.09A 1ya3A-4yhbA:
undetectable		 1ya3A-4yhbA:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YKI_A_NFZA1219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2yzy PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1012
(Thermus
thermophilus) 		4 / 8 TYR A  94
ASN A  80
GLU A  78
GLY A  79
 MPD  A 503 (-3.8A)
None
MPD  A 503 (-3.6A)
MPD  A 503 (-3.6A)
 1.07A 1ykiA-2yzyA:
undetectable
1ykiB-2yzyA:
undetectable		 1ykiA-2yzyA:
25.00
1ykiB-2yzyA:
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.
1YKI_B_NFZB2219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2yzy PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1012
(Thermus
thermophilus) 		4 / 8 TYR A  94
ASN A  80
GLU A  78
GLY A  79
 MPD  A 503 (-3.8A)
None
MPD  A 503 (-3.6A)
MPD  A 503 (-3.6A)
 1.07A 1ykiA-2yzyA:
undetectable
1ykiB-2yzyA:
undetectable		 1ykiA-2yzyA:
25.00
1ykiB-2yzyA:
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.
1YMX_A_CFXA1001_2
(BETA-LACTAMASE
CTX-M-9)		 3k04 POTASSIUM CHANNEL
PROTEIN NAK
(Bacillus
cereus) 		4 / 5 TYR A  42
PRO A  50
THR A  34
SER A  37
 None
None
MPD  A 506 ( 4.3A)
MPD  A 506 (-2.5A)
 1.37A 1ymxA-3k04A:
undetectable		 1ymxA-3k04A:
17.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZQ_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 4 GLY A 186
TRP A 356
VAL A 418
SER A 426
 MPD  A 604 (-3.8A)
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
MPD  A 604 (-3.1A)
 0.11A 1zzqA-1m9qA:
59.6		 1zzqA-1m9qA:
65.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZQ_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		5 / 5 GLY A 186
GLN A 189
TRP A 356
VAL A 418
SER A 426
 MPD  A 604 (-3.8A)
None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
MPD  A 604 (-3.1A)
 0.24A 1zzqB-1m9qA:
59.2		 1zzqB-1m9qA:
65.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZU_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		5 / 5 GLY A 186
GLN A 189
TRP A 356
VAL A 418
SER A 426
 MPD  A 604 (-3.8A)
None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
MPD  A 604 (-3.1A)
 0.23A 1zzuA-1m9qA:
59.3		 1zzuA-1m9qA:
65.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZU_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 5 GLN A 189
TRP A 356
VAL A 418
SER A 426
 None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
MPD  A 604 (-3.1A)
 0.82A 1zzuB-1m9qA:
58.7		 1zzuB-1m9qA:
65.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZU_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 5 GLY A 186
GLN A 189
TRP A 356
VAL A 418
 MPD  A 604 (-3.8A)
None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
 0.18A 1zzuB-1m9qA:
58.7		 1zzuB-1m9qA:
65.49
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.
2A3A_A_TEPA1433_1
(CHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		10 / 11 TYR A   6
PHE A  30
GLY A  72
ASP A 114
GLU A 116
MET A 183
TYR A 185
ASP A 186
TYR A 236
TRP A 317
 MPD  A 401 (-3.5A)
None
MPD  A 401 ( 4.6A)
MPD  A 401 (-4.3A)
MPD  A 401 (-2.7A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
None
None
MPD  A 401 (-3.8A)
 0.67A 2a3aA-4uriA:
40.4		 2a3aA-4uriA:
26.65
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.
2A3A_B_TEPB2433_1
(CHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		5 / 9 GLY A  73
GLU A 116
MET A 183
TYR A 185
TRP A 317
 MPD  A 401 (-3.9A)
MPD  A 401 (-2.7A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
MPD  A 401 (-3.8A)
 1.13A 2a3aB-4uriA:
40.7		 2a3aB-4uriA:
26.65
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.
2A3A_B_TEPB2433_1
(CHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		8 / 9 PHE A  30
GLY A  72
GLU A 116
MET A 183
TYR A 185
ASP A 186
TYR A 236
TRP A 317
 None
MPD  A 401 ( 4.6A)
MPD  A 401 (-2.7A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
None
None
MPD  A 401 (-3.8A)
 0.61A 2a3aB-4uriA:
40.7		 2a3aB-4uriA:
26.65
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.
2A3B_A_CFFA1435_1
(CHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		8 / 11 TYR A   6
PHE A  30
GLY A  72
ASP A 114
GLU A 116
MET A 183
TYR A 185
TRP A 317
 MPD  A 401 (-3.5A)
None
MPD  A 401 ( 4.6A)
MPD  A 401 (-4.3A)
MPD  A 401 (-2.7A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
MPD  A 401 (-3.8A)
 0.86A 2a3bA-4uriA:
40.4		 2a3bA-4uriA:
26.65
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.
2A3B_A_CFFA1435_1
(CHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		9 / 11 TYR A   6
PHE A  30
GLY A  72
ASP A 114
MET A 183
TYR A 185
ASP A 186
TYR A 236
TRP A 317
 MPD  A 401 (-3.5A)
None
MPD  A 401 ( 4.6A)
MPD  A 401 (-4.3A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
None
None
MPD  A 401 (-3.8A)
 0.69A 2a3bA-4uriA:
40.4		 2a3bA-4uriA:
26.65
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.
2A3B_B_CFFB2435_1
(CHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		8 / 10 PHE A  30
GLY A  72
ASP A 114
GLU A 116
MET A 183
TYR A 185
ASP A 186
TRP A 317
 None
MPD  A 401 ( 4.6A)
MPD  A 401 (-4.3A)
MPD  A 401 (-2.7A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
None
MPD  A 401 (-3.8A)
 0.78A 2a3bB-4uriA:
40.6		 2a3bB-4uriA:
26.65
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.
2A3B_B_CFFB2435_1
(CHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		8 / 10 PHE A  30
GLY A  72
ASP A 114
MET A 183
TYR A 185
ASP A 186
TYR A 236
TRP A 317
 None
MPD  A 401 ( 4.6A)
MPD  A 401 (-4.3A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
None
None
MPD  A 401 (-3.8A)
 0.58A 2a3bB-4uriA:
40.6		 2a3bB-4uriA:
26.65
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.
2A3B_B_CFFB2435_1
(CHITINASE)		 4w5z CHITINASE 60
(Moritella
marina) 		5 / 10 PHE A  70
GLY A 117
ASP A 151
TYR A 220
TRP A 311
 None
None
ACT  A 404 (-2.7A)
ACT  A 404 (-4.6A)
MPD  A 402 ( 3.4A)
 0.97A 2a3bB-4w5zA:
20.6		 2a3bB-4w5zA:
26.61
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.
2A3C_A_PNXA1434_1
(CHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		8 / 12 TYR A   6
PHE A  30
GLY A  72
ASP A 114
GLU A 116
MET A 183
TYR A 185
TRP A 317
 MPD  A 401 (-3.5A)
None
MPD  A 401 ( 4.6A)
MPD  A 401 (-4.3A)
MPD  A 401 (-2.7A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
MPD  A 401 (-3.8A)
 0.86A 2a3cA-4uriA:
40.3		 2a3cA-4uriA:
26.65
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.
2A3C_A_PNXA1434_1
(CHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		9 / 12 TYR A   6
PHE A  30
GLY A  72
ASP A 114
MET A 183
TYR A 185
ASP A 186
TYR A 236
TRP A 317
 MPD  A 401 (-3.5A)
None
MPD  A 401 ( 4.6A)
MPD  A 401 (-4.3A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
None
None
MPD  A 401 (-3.8A)
 0.69A 2a3cA-4uriA:
40.3		 2a3cA-4uriA:
26.65
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.
2A3C_A_PNXA1434_1
(CHITINASE)		 4w5z CHITINASE 60
(Moritella
marina) 		7 / 12 TYR A  36
TRP A  40
PHE A  70
GLY A 117
ASP A 151
TYR A 220
TRP A 311
 ACT  A 404 (-2.7A)
CL  A 408 (-4.3A)
None
None
ACT  A 404 (-2.7A)
ACT  A 404 (-4.6A)
MPD  A 402 ( 3.4A)
 0.99A 2a3cA-4w5zA:
20.7		 2a3cA-4w5zA:
26.61
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.
2A3C_B_PNXB2433_1
(CHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		8 / 12 PHE A  30
GLY A  72
ASP A 114
GLU A 116
MET A 183
TYR A 185
ASP A 186
TRP A 317
 None
MPD  A 401 ( 4.6A)
MPD  A 401 (-4.3A)
MPD  A 401 (-2.7A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
None
MPD  A 401 (-3.8A)
 0.78A 2a3cB-4uriA:
40.6		 2a3cB-4uriA:
26.65
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.
2A3C_B_PNXB2433_1
(CHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		8 / 12 PHE A  30
GLY A  72
ASP A 114
MET A 183
TYR A 185
ASP A 186
TYR A 236
TRP A 317
 None
MPD  A 401 ( 4.6A)
MPD  A 401 (-4.3A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
None
None
MPD  A 401 (-3.8A)
 0.57A 2a3cB-4uriA:
40.6		 2a3cB-4uriA:
26.65
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.
2A3C_B_PNXB2433_1
(CHITINASE)		 4w5z CHITINASE 60
(Moritella
marina) 		6 / 12 TRP A  40
PHE A  70
GLY A 117
ASP A 151
TYR A 220
TRP A 311
 CL  A 408 (-4.3A)
None
None
ACT  A 404 (-2.7A)
ACT  A 404 (-4.6A)
MPD  A 402 ( 3.4A)
 0.94A 2a3cB-4w5zA:
20.4		 2a3cB-4w5zA:
26.61
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.
2A7Q_A_CFBA328_2
(DEOXYCYTIDINE KINASE)		 3lif PUTATIVE DIGUANYLATE
CYCLASE (GGDEF) WITH
PAS/PAC DOMAIN
(Rhodopseudomonas
palustris) 		4 / 4 ILE A  81
ASP A 111
LEU A 121
ARG A  98
 None
MPD  A   1 ( 4.3A)
None
None
 1.39A 2a7qA-3lifA:
undetectable		 2a7qA-3lifA:
20.21
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.
2AZQ_A_PCFA954_0
(CATECHOL
1,2-DIOXYGENASE)		 5e44 FNR REGULATOR
(Aliivibrio
fischeri) 		5 / 9 LEU A 206
GLU A 168
ALA A 172
GLU A 156
LEU A 159
 None
None
MPD  A 302 ( 4.7A)
MPD  A 302 (-4.1A)
None
 1.38A 2azqA-5e44A:
undetectable		 2azqA-5e44A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2B17_A_DIFA701_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 2q3l UNCHARACTERIZED
PROTEIN
(Shewanella
loihica) 		5 / 10 LEU A  41
ALA A  55
ILE A  53
GLY A  81
PHE A 111
 MPD  A 130 (-4.8A)
None
None
MPD  A 130 ( 3.9A)
MPD  A 130 (-4.8A)
 1.30A 2b17A-2q3lA:
undetectable		 2b17A-2q3lA:
20.57
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.
2BFP_A_H4BA1290_1
(PTERIDINE REDUCTASE
1)		 2obe HEXON
(Human
mastadenovirus
E) 		4 / 8 ARG A 656
SER A 861
LEU A 353
LEU A 627
 MPD  A1706 (-3.6A)
None
None
None
 0.97A 2bfpA-2obeA:
undetectable		 2bfpA-2obeA:
14.47
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.
2BFP_B_H4BB1290_1
(PTERIDINE REDUCTASE
1)		 2obe HEXON
(Human
mastadenovirus
E) 		4 / 8 ARG A 656
SER A 861
LEU A 353
LEU A 627
 MPD  A1706 (-3.6A)
None
None
None
 1.00A 2bfpB-2obeA:
undetectable		 2bfpB-2obeA:
14.47
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.
2BFP_C_H4BC1290_1
(PTERIDINE REDUCTASE
1)		 2obe HEXON
(Human
mastadenovirus
E) 		4 / 8 ARG A 656
SER A 861
LEU A 353
LEU A 627
 MPD  A1706 (-3.6A)
None
None
None
 0.96A 2bfpC-2obeA:
undetectable		 2bfpC-2obeA:
14.47
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.
2BFP_D_H4BD1290_1
(PTERIDINE REDUCTASE
1)		 2obe HEXON
(Human
mastadenovirus
E) 		4 / 8 ARG A 656
SER A 861
LEU A 353
LEU A 627
 MPD  A1706 (-3.6A)
None
None
None
 0.98A 2bfpD-2obeA:
undetectable		 2bfpD-2obeA:
14.47
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.
2BM9_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3qmn HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE
(Vibrio
cholerae) 		5 / 12 LEU A  31
GLY A  46
SER A  42
ALA A  50
ALA A  10
 None
None
CL  A 128 ( 4.6A)
None
MPD  A2570 (-3.6A)
 0.94A 2bm9A-3qmnA:
undetectable		 2bm9A-3qmnA:
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.
2BNN_B_FCNB1199_1
(EPOXIDASE)		 5e1r 7S VICILIN
(Carya
illinoinensis) 		4 / 8 LEU A 712
ASN A 632
HIS A 630
ALA A 619
 MPD  A 802 ( 4.5A)
MPD  A 802 (-3.4A)
MPD  A 802 (-4.1A)
MPD  A 802 (-3.6A)
 1.00A 2bnnA-5e1rA:
10.2
2bnnB-5e1rA:
10.4		 2bnnA-5e1rA:
20.47
2bnnB-5e1rA:
20.47
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.
2BR4_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3qmn HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE
(Vibrio
cholerae) 		5 / 12 LEU A  31
GLY A  46
SER A  42
ALA A  50
ALA A  10
 None
None
CL  A 128 ( 4.6A)
None
MPD  A2570 (-3.6A)
 1.01A 2br4A-3qmnA:
undetectable		 2br4A-3qmnA:
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.
2BR4_D_SAMD301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3qmn HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE
(Vibrio
cholerae) 		5 / 12 LEU A  31
GLY A  46
SER A  42
ALA A  50
ALA A  10
 None
None
CL  A 128 ( 4.6A)
None
MPD  A2570 (-3.6A)
 1.02A 2br4D-3qmnA:
undetectable		 2br4D-3qmnA:
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.
2BR4_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3qmn HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE
(Vibrio
cholerae) 		5 / 12 LEU A  31
GLY A  46
SER A  42
ALA A  50
ALA A  10
 None
None
CL  A 128 ( 4.6A)
None
MPD  A2570 (-3.6A)
 1.01A 2br4F-3qmnA:
undetectable		 2br4F-3qmnA:
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.
2BXE_A_1FLA2001_1
(SERUM ALBUMIN)		 5ohs -
(-) 		5 / 11 ARG A 283
VAL A 138
GLY A 137
LEU A 494
SER A 279
 NSQ  A 709 (-3.3A)
None
None
MPD  A 705 ( 4.5A)
MPD  A 705 ( 3.9A)
 1.14A 2bxeA-5ohsA:
undetectable		 2bxeA-5ohsA:
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.
2BXG_A_IBPA2001_1
(SERUM ALBUMIN)		 5ohs -
(-) 		5 / 11 ARG A 283
VAL A 138
GLY A 137
LEU A 494
SER A 279
 NSQ  A 709 (-3.3A)
None
None
MPD  A 705 ( 4.5A)
MPD  A 705 ( 3.9A)
 1.13A 2bxgA-5ohsA:
undetectable		 2bxgA-5ohsA:
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.
2C49_A_ADNA1301_1
(SUGAR KINASE MJ0406)		 4l8k PUTATIVE PEPTIDASE
(Parabacteroides
merdae) 		5 / 12 GLY A 265
GLY A 266
ASN A 244
PHE A  43
ASP A 245
 None
PO4  A 401 (-3.3A)
None
None
MPD  A 403 (-4.0A)
 1.17A 2c49A-4l8kA:
undetectable		 2c49A-4l8kA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2D0K_B_FOLB2161_0
(DIHYDROFOLATE
REDUCTASE)		 4x90 GROUP XV
PHOSPHOLIPASE A2
(Homo
sapiens) 		5 / 12 ILE A  61
ALA A 230
LEU A  14
ILE A 215
LEU A  49
 None
None
MPD  A 408 ( 4.6A)
MPD  A 411 (-3.8A)
None
 0.98A 2d0kB-4x90A:
undetectable		 2d0kB-4x90A:
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		 6ek7 YAXA
(Yersinia
enterocolitica) 		5 / 9 ILE A  51
ILE A 397
ASP A  49
ALA A 401
THR A  46
 MPD  A 505 ( 4.5A)
None
None
None
None
 1.37A 2dtjA-6ek7A:
undetectable
2dtjB-6ek7A:
undetectable		 2dtjA-6ek7A:
undetectable
2dtjB-6ek7A:
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.
2DYR_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 8 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.90A 2dyrC-3zhrA:
undetectable
2dyrJ-3zhrA:
undetectable		 2dyrC-3zhrA:
14.22
2dyrJ-3zhrA:
6.02
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.
2DYR_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 8 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.90A 2dyrP-3zhrA:
undetectable
2dyrW-3zhrA:
undetectable		 2dyrP-3zhrA:
14.22
2dyrW-3zhrA:
6.02
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.
2DYS_C_CHDC310_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 7 LEU A1146
GLN A1142
LEU A1184
PHE A1192
 None
MPD  A2228 (-3.2A)
None
None
 1.03A 2dysC-3zhrA:
undetectable
2dysJ-3zhrA:
undetectable		 2dysC-3zhrA:
14.22
2dysJ-3zhrA:
6.02
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.
2EIK_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 7 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.89A 2eikC-3zhrA:
undetectable
2eikJ-3zhrA:
undetectable		 2eikC-3zhrA:
14.22
2eikJ-3zhrA:
6.02
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.
2EIK_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 8 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.85A 2eikP-3zhrA:
undetectable
2eikW-3zhrA:
undetectable		 2eikP-3zhrA:
14.22
2eikW-3zhrA:
6.02
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.
2EIL_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 8 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.90A 2eilC-3zhrA:
undetectable
2eilJ-3zhrA:
undetectable		 2eilC-3zhrA:
14.22
2eilJ-3zhrA:
6.02
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.
2FK8_A_SAMA302_0
(METHOXY MYCOLIC ACID
SYNTHASE 4)		 4m1q L-LACTATE
DEHYDROGENASE
([Bacillus]
selenitireducens) 		5 / 12 ILE A  11
GLY A  12
GLY A  14
LEU A  38
ALA A  80
 None
None
None
None
MPD  A 404 ( 4.2A)
 0.94A 2fk8A-4m1qA:
5.6		 2fk8A-4m1qA:
25.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2G6H_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 8 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.16A 2g6hA-1m9qA:
59.6
2g6hB-1m9qA:
59.2		 2g6hA-1m9qA:
65.02
2g6hB-1m9qA:
65.02
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.
2GSS_A_EAAA0_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 3ebl GIBBERELLIN RECEPTOR
GID1
(Oryza
sativa) 		4 / 8 TYR A  31
ILE A 133
TYR A 134
GLY A 121
 MPD  A 501 ( 4.9A)
None
GA4  A 401 (-4.8A)
GA4  A 401 ( 4.6A)
 0.93A 2gssA-3eblA:
undetectable		 2gssA-3eblA:
19.45
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.
2GSS_B_EAAB0_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 3ebl GIBBERELLIN RECEPTOR
GID1
(Oryza
sativa) 		4 / 8 TYR A  31
ILE A 133
TYR A 134
GLY A 121
 MPD  A 501 ( 4.9A)
None
GA4  A 401 (-4.8A)
GA4  A 401 ( 4.6A)
 0.93A 2gssB-3eblA:
undetectable		 2gssB-3eblA:
19.45
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		 3v68 PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pyrococcus
furiosus) 		3 / 3 ASN A 171
TYR A 224
SER A  34
 None
MPD  A 253 (-4.7A)
None
 0.94A 2gvcB-3v68A:
undetectable		 2gvcB-3v68A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HRC_A_CHDA702_0
(FERROCHELATASE)		 5vaw MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TYPE IV
PILIN PILA
(Acinetobacter
baumannii;
Escherichia
coli) 		4 / 7 LEU A 192
PRO A 331
VAL A 343
TRP A 340
 None
MPD  A1201 ( 4.8A)
None
None
 1.33A 2hrcA-5vawA:
undetectable		 2hrcA-5vawA:
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.
2HS1_B_017B203_1
(HIV-1 PROTEASE)		 2yzy PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1012
(Thermus
thermophilus) 		4 / 7 GLU A 161
PRO A 140
MET A 143
ARG A 173
 MPD  A 502 (-3.5A)
None
None
None
 1.19A 2hs1B-2yzyA:
undetectable		 2hs1B-2yzyA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IZQ_A_DVAA6_0
(GRAMICIDIN D)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		3 / 3 ALA A  85
VAL A 101
TRP A 102
 None
None
MPD  A   1 ( 3.9A)
 0.93A 2izqA-2d4wA:
undetectable
2izqB-2d4wA:
undetectable		 2izqA-2d4wA:
4.98
2izqB-2d4wA:
4.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IZQ_D_DVAD6_0
(GRAMICIDIN D)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		3 / 3 TRP A 102
ALA A  85
VAL A 101
 MPD  A   1 ( 3.9A)
None
None
 0.96A 2izqC-2d4wA:
undetectable
2izqD-2d4wA:
undetectable		 2izqC-2d4wA:
4.98
2izqD-2d4wA:
4.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2J2P_C_SC2C1289_1
(FICOLIN-2)		 2ja1 THYMIDINE KINASE
(Bacillus
cereus) 		4 / 6 ASP A  88
SER A  22
LEU A 116
GLY A 115
 TTP  A1193 (-3.4A)
TTP  A1193 (-2.7A)
MPD  A1194 (-4.6A)
None
 1.03A 2j2pA-2ja1A:
undetectable
2j2pC-2ja1A:
undetectable		 2j2pA-2ja1A:
20.69
2j2pC-2ja1A:
20.69
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.
2J7X_A_ESTA1454_1
(ESTROGEN RECEPTOR
BETA)		 1wz8 ENOYL-COA HYDRATASE
(Thermus
thermophilus) 		5 / 12 LEU A  75
GLU A  78
ARG A  88
GLY A 242
LEU A 248
 MPD  A3003 (-4.7A)
None
None
None
None
 1.29A 2j7xA-1wz8A:
undetectable		 2j7xA-1wz8A:
24.58
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.
2KUH_A_HLTA150_1
(CALMODULIN)		 2vy0 ENDO-BETA-1,3-GLUCAN
ASE
(Pyrococcus
furiosus) 		4 / 6 LEU A 143
MET A 284
GLU A 175
MET A 174
 None
None
MPD  A1299 (-3.4A)
None
 1.06A 2kuhA-2vy0A:
undetectable		 2kuhA-2vy0A:
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.
2M2O_B_DHIB24_0
(INSULIN B CHAIN)		 3lif PUTATIVE DIGUANYLATE
CYCLASE (GGDEF) WITH
PAS/PAC DOMAIN
(Rhodopseudomonas
palustris) 		4 / 6 ARG A 216
GLY A 155
PHE A 167
THR A 187
 None
None
None
MPD  A   1 ( 4.6A)
 1.28A 2m2oB-3lifA:
undetectable		 2m2oB-3lifA:
13.18
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.
2NNP_A_ROCA401_1
(PROTEASE)		 3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans) 		5 / 11 GLY A 302
ALA A 303
GLY A 210
ILE A  54
PRO A 237
 MPD  A 418 (-3.8A)
None
None
None
None
 0.83A 2nnpA-3wkqA:
undetectable		 2nnpA-3wkqA:
16.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NV4_B_SAMB202_0
(UPF0066 PROTEIN
AF_0241)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 252
GLN A  32
GLY A 241
LEU A 240
LEU A 232
 None
None
None
MPD  A 265 (-3.7A)
None
 1.38A 2nv4B-3e3aA:
undetectable		 2nv4B-3e3aA:
17.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3s5t DUF3298 FAMILY
PROTEIN
(Bacteroides
fragilis) 		4 / 6 TYR A 105
TYR A 137
TYR A 101
ILE A  59
 MPD  A 287 ( 4.5A)
None
None
None
 1.25A 2pgzD-3s5tA:
undetectable
2pgzE-3s5tA:
undetectable		 2pgzD-3s5tA:
19.93
2pgzE-3s5tA:
19.93
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.
2PO5_A_CHDA502_0
(FERROCHELATASE,
MITOCHONDRIAL)		 5b7z UNCHARACTERIZED
PROTEIN TM_0416
(Thermotoga
maritima) 		4 / 8 LEU A 137
ARG A 115
PRO A  45
GLY A  68
 None
None
MPD  A 302 ( 4.8A)
None
 0.81A 2po5A-5b7zA:
undetectable		 2po5A-5b7zA:
23.31
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.
2PXC_A_SAMA500_0
(GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)])		 2ehq 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE
(Thermus
thermophilus) 		6 / 12 GLY A 125
GLY A 319
GLY A 316
GLY A 361
GLU A 130
ASP A 293
 None
None
MPD  A1534 ( 4.2A)
None
None
None
 1.29A 2pxcA-2ehqA:
undetectable		 2pxcA-2ehqA:
19.07
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.
2PYN_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 2e7z ACETYLENE HYDRATASE
AHY
(Pelobacter
acetylenicus) 		3 / 3 ASP A  13
THR A  40
PRO A  41
 MGD  A 802 (-3.2A)
MPD  A1004 (-3.4A)
MPD  A1004 ( 4.9A)
 0.61A 2pynB-2e7zA:
undetectable		 2pynB-2e7zA:
8.66
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.
2Q64_B_1UNB1001_4
(PROTEASE RETROPEPSIN)		 2e7z ACETYLENE HYDRATASE
AHY
(Pelobacter
acetylenicus) 		3 / 3 ASP A  13
THR A  40
PRO A  41
 MGD  A 802 (-3.2A)
MPD  A1004 (-3.4A)
MPD  A1004 ( 4.9A)
 0.53A 2q64B-2e7zA:
undetectable		 2q64B-2e7zA:
10.86
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.
2Q6K_A_ADNA699_1
(CHLORINASE)		 3a71 EXO-ARABINANASE
(Penicillium
chrysogenum) 		4 / 7 ASP A 190
TYR A 188
PRO A 171
THR A 137
 MPD  A 404 (-3.1A)
None
None
None
 1.48A 2q6kA-3a71A:
undetectable		 2q6kA-3a71A:
22.69
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.
2Q7K_A_TESA304_1
(ANDROGEN RECEPTOR)		 3jv7 ADH-A
(Rhodococcus
ruber) 		5 / 12 LEU A  56
VAL A  44
MET A  45
LEU A 119
THR A 115
 None
None
None
MPD  A 505 ( 4.3A)
None
 1.06A 2q7kA-3jv7A:
undetectable		 2q7kA-3jv7A:
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.
2QAK_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		 2e7z ACETYLENE HYDRATASE
AHY
(Pelobacter
acetylenicus) 		3 / 3 ASP A  13
THR A  40
PRO A  41
 MGD  A 802 (-3.2A)
MPD  A1004 (-3.4A)
MPD  A1004 ( 4.9A)
 0.61A 2qakB-2e7zA:
undetectable		 2qakB-2e7zA:
10.36
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.
2QD5_A_CHDA701_0
(FERROCHELATASE)		 5e1r 7S VICILIN
(Carya
illinoinensis) 		4 / 8 LEU A 584
ARG A 724
VAL A 637
GLY A 716
 None
MPD  A 802 (-4.5A)
MPD  A 802 (-4.9A)
None
 1.04A 2qd5A-5e1rA:
undetectable		 2qd5A-5e1rA:
23.39
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		 1vrm HYPOTHETICAL PROTEIN
TM1553
(Thermotoga
maritima) 		5 / 12 ARG A  81
VAL A  94
PHE A  86
GLU A 111
ASP A  78
 None
None
None
None
MPD  A   1 ( 4.9A)
 1.44A 2qeoA-1vrmA:
undetectable		 2qeoA-1vrmA:
17.65
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.
2UY4_A_AZMA1311_1
(ENDOCHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		6 / 9 TYR A   6
PHE A  30
GLY A  72
ASP A 114
TYR A 185
TRP A 317
 MPD  A 401 (-3.5A)
None
MPD  A 401 ( 4.6A)
MPD  A 401 (-4.3A)
MPD  A 401 (-4.8A)
MPD  A 401 (-3.8A)
 0.95A 2uy4A-4uriA:
18.9		 2uy4A-4uriA:
25.27
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.
2UY4_A_AZMA1311_1
(ENDOCHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		6 / 9 TYR A   6
PHE A  30
GLY A  72
GLU A 116
TYR A 185
TRP A 317
 MPD  A 401 (-3.5A)
None
MPD  A 401 ( 4.6A)
MPD  A 401 (-2.7A)
MPD  A 401 (-4.8A)
MPD  A 401 (-3.8A)
 0.45A 2uy4A-4uriA:
18.9		 2uy4A-4uriA:
25.27
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.
2UY4_A_AZMA1311_1
(ENDOCHITINASE)		 4w5z CHITINASE 60
(Moritella
marina) 		5 / 9 TYR A  36
PHE A  70
GLY A 117
ALA A 118
TRP A 311
 ACT  A 404 (-2.7A)
None
None
MPD  A 402 ( 4.3A)
MPD  A 402 ( 3.4A)
 0.77A 2uy4A-4w5zA:
24.1		 2uy4A-4w5zA:
24.73
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.
2UY4_A_AZMA1311_1
(ENDOCHITINASE)		 4w5z CHITINASE 60
(Moritella
marina) 		7 / 9 TYR A  36
PHE A  70
GLY A 117
ASP A 151
GLN A 218
TYR A 220
TRP A 311
 ACT  A 404 (-2.7A)
None
None
ACT  A 404 (-2.7A)
ACT  A 404 (-3.5A)
ACT  A 404 (-4.6A)
MPD  A 402 ( 3.4A)
 0.38A 2uy4A-4w5zA:
24.1		 2uy4A-4w5zA:
24.73
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.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 5g56 CARBOHYDRATE BINDING
FAMILY 6
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ASN A 170
GLU A 171
HIS A 253
TYR A 255
GLU A 279
 None
MPD  A1746 (-2.7A)
None
MPD  A1746 (-3.8A)
None
 0.27A 2v3dA-5g56A:
14.5		 2v3dA-5g56A:
20.34
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.
2VCV_B_ASDB1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1wz8 ENOYL-COA HYDRATASE
(Thermus
thermophilus) 		4 / 6 LEU A  75
ALA A 118
LEU A  42
ALA A  43
 MPD  A3003 (-4.7A)
MPD  A3003 ( 3.8A)
None
None
 0.97A 2vcvB-1wz8A:
undetectable		 2vcvB-1wz8A:
25.26
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.
2VCV_K_ASDK1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1wz8 ENOYL-COA HYDRATASE
(Thermus
thermophilus) 		4 / 6 LEU A  75
ALA A 118
LEU A  42
ALA A  43
 MPD  A3003 (-4.7A)
MPD  A3003 ( 3.8A)
None
None
 0.97A 2vcvK-1wz8A:
undetectable		 2vcvK-1wz8A:
25.26
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.
2VE3_B_REAB1445_1
(PUTATIVE CYTOCHROME
P450 120)		 2e7z ACETYLENE HYDRATASE
AHY
(Pelobacter
acetylenicus) 		5 / 12 THR A  39
PHE A 477
ALA A 159
GLN A 116
PRO A 476
 MPD  A1004 (-3.7A)
MPD  A1004 (-4.5A)
None
None
None
 1.07A 2ve3B-2e7zA:
undetectable		 2ve3B-2e7zA:
22.13
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.
2VL2_B_BEZB1162_0
(PEROXIREDOXIN-5)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 7 THR L 293
GLY L 291
LEU L 392
PHE L 296
 None
None
MPD  L 604 ( 4.4A)
None
 0.73A 2vl2B-4u9iL:
undetectable		 2vl2B-4u9iL:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VMY_B_FFOB505_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1kwg BETA-GALACTOSIDASE
(Thermus
thermophilus) 		5 / 12 LEU A 579
GLY A 577
LEU A 583
ALA A 433
GLY A 482
 None
MPD  A 803 (-3.6A)
ACT  A 805 ( 4.8A)
MPD  A 803 (-3.6A)
None
 1.03A 2vmyA-1kwgA:
undetectable		 2vmyA-1kwgA:
22.15
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.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3w04 DWARF 88 ESTERASE
(Oryza
sativa) 		4 / 8 TYR A 209
SER A 270
HIS A 146
SER A 147
 MPD  A 401 (-4.6A)
MPD  A 401 (-2.6A)
None
MPD  A 401 ( 4.7A)
 1.19A 2vmyA-3w04A:
undetectable
2vmyB-3w04A:
undetectable		 2vmyA-3w04A:
21.76
2vmyB-3w04A:
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.
2VQY_A_PARA1201_1
(AAC(6')-IB)		 3jv7 ADH-A
(Rhodococcus
ruber) 		5 / 12 TYR A  54
LEU A  58
SER A 124
ASP A  41
ASP A 153
 MPD  A 505 (-4.6A)
None
None
None
ZN  A 502 (-2.6A)
 1.29A 2vqyA-3jv7A:
undetectable		 2vqyA-3jv7A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VXA_G_RBFG200_1
(DODECIN)		 4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC
(Rattus
norvegicus) 		4 / 8 ARG E 226
GLN E 230
ARG E 249
THR E 274
 None
None
MPD  E 503 (-3.4A)
None
 1.27A 2vxaF-4kprE:
undetectable
2vxaG-4kprE:
undetectable
2vxaI-4kprE:
undetectable		 2vxaF-4kprE:
10.73
2vxaG-4kprE:
10.73
2vxaI-4kprE:
10.73
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.
2X2N_B_X2NB1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 5ez3 ACYL-COA
DEHYDROGENASE
(Brucella
melitensis) 		5 / 12 ALA A  39
ALA A 373
ALA A 383
THR A 387
LEU A 308
 None
MPD  A 602 ( 4.7A)
MPD  A 602 ( 3.9A)
None
None
 1.28A 2x2nB-5ez3A:
undetectable		 2x2nB-5ez3A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_E_GCSE710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3g0k PUTATIVE MEMBRANE
PROTEIN
(Novosphingobium
aromaticivorans) 		4 / 8 HIS A 111
ASP A 113
ILE A 115
ASP A  99
 MPD  A 133 (-3.4A)
None
MPD  A 135 ( 4.5A)
MPD  A 133 (-3.3A)
 1.08A 2xadA-3g0kA:
undetectable		 2xadA-3g0kA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_F_GCSF710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3g0k PUTATIVE MEMBRANE
PROTEIN
(Novosphingobium
aromaticivorans) 		4 / 8 HIS A 111
ASP A 113
ILE A 115
ASP A  99
 MPD  A 133 (-3.4A)
None
MPD  A 135 ( 4.5A)
MPD  A 133 (-3.3A)
 1.09A 2xadB-3g0kA:
undetectable		 2xadB-3g0kA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_G_GCSG710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3g0k PUTATIVE MEMBRANE
PROTEIN
(Novosphingobium
aromaticivorans) 		4 / 8 HIS A 111
ASP A 113
ILE A 115
ASP A  99
 MPD  A 133 (-3.4A)
None
MPD  A 135 ( 4.5A)
MPD  A 133 (-3.3A)
 1.09A 2xadC-3g0kA:
undetectable		 2xadC-3g0kA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_H_GCSH710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3g0k PUTATIVE MEMBRANE
PROTEIN
(Novosphingobium
aromaticivorans) 		4 / 8 HIS A 111
ASP A 113
ILE A 115
ASP A  99
 MPD  A 133 (-3.4A)
None
MPD  A 135 ( 4.5A)
MPD  A 133 (-3.3A)
 1.09A 2xadD-3g0kA:
undetectable		 2xadD-3g0kA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAT_A_CLMA301_0
(XENOBIOTIC
ACETYLTRANSFERASE)		 3mko GLYCOPROTEIN C
(Lymphocytic
choriomeningitis
mammarenavirus) 		3 / 3 GLY A 397
TYR A 399
SER A 398
 None
None
MPD  A  93 (-3.6A)
 0.73A 2xatA-3mkoA:
undetectable		 2xatA-3mkoA:
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.
2XRH_A_NIOA200_1
(PROTEIN HP0721)		 5e1r 7S VICILIN
(Carya
illinoinensis) 		4 / 7 GLY A 714
ILE A 694
MET A 627
LEU A 712
 MPD  A 802 ( 3.8A)
None
MPD  A 802 (-4.0A)
MPD  A 802 ( 4.5A)
 0.82A 2xrhA-5e1rA:
undetectable		 2xrhA-5e1rA:
12.76
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.
2XTK_A_AZMA1339_1
(CLASS III CHITINASE
CHIA1)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		6 / 11 TYR A   6
PHE A  30
GLY A  72
ASP A 114
TYR A 185
TRP A 317
 MPD  A 401 (-3.5A)
None
MPD  A 401 ( 4.6A)
MPD  A 401 (-4.3A)
MPD  A 401 (-4.8A)
MPD  A 401 (-3.8A)
 1.03A 2xtkA-4uriA:
19.7		 2xtkA-4uriA:
25.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XTK_A_AZMA1339_1
(CLASS III CHITINASE
CHIA1)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		6 / 11 TYR A   6
PHE A  30
GLY A  72
GLU A 116
TYR A 185
TRP A 317
 MPD  A 401 (-3.5A)
None
MPD  A 401 ( 4.6A)
MPD  A 401 (-2.7A)
MPD  A 401 (-4.8A)
MPD  A 401 (-3.8A)
 0.67A 2xtkA-4uriA:
19.7		 2xtkA-4uriA:
25.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XTK_A_AZMA1339_1
(CLASS III CHITINASE
CHIA1)		 4w5z CHITINASE 60
(Moritella
marina) 		10 / 11 TYR A  36
PHE A  70
GLY A 117
ALA A 118
ASP A 151
GLN A 218
TYR A 220
ASN A 221
ALA A 280
TRP A 311
 ACT  A 404 (-2.7A)
None
None
MPD  A 402 ( 4.3A)
ACT  A 404 (-2.7A)
ACT  A 404 (-3.5A)
ACT  A 404 (-4.6A)
MPD  A 402 ( 4.6A)
None
MPD  A 402 ( 3.4A)
 0.71A 2xtkA-4w5zA:
23.9		 2xtkA-4w5zA:
24.86
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.
2XTK_A_AZMA1339_1
(CLASS III CHITINASE
CHIA1)		 4w5z CHITINASE 60
(Moritella
marina) 		6 / 11 TYR A  36
PHE A  70
GLY A 117
ASP A 151
ALA A 279
TRP A 311
 ACT  A 404 (-2.7A)
None
None
ACT  A 404 (-2.7A)
None
MPD  A 402 ( 3.4A)
 1.10A 2xtkA-4w5zA:
23.9		 2xtkA-4w5zA:
24.86
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.
2XTK_B_AZMB1339_1
(CLASS III CHITINASE
CHIA1)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		5 / 10 TYR A   6
PHE A  30
GLY A  72
ASP A 114
TRP A 317
 MPD  A 401 (-3.5A)
None
MPD  A 401 ( 4.6A)
MPD  A 401 (-4.3A)
MPD  A 401 (-3.8A)
 1.04A 2xtkB-4uriA:
19.9		 2xtkB-4uriA:
25.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XTK_B_AZMB1339_1
(CLASS III CHITINASE
CHIA1)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		6 / 10 TYR A   6
PHE A  30
GLY A  72
GLU A 116
TYR A 185
TRP A 317
 MPD  A 401 (-3.5A)
None
MPD  A 401 ( 4.6A)
MPD  A 401 (-2.7A)
MPD  A 401 (-4.8A)
MPD  A 401 (-3.8A)
 0.56A 2xtkB-4uriA:
19.9		 2xtkB-4uriA:
25.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XTK_B_AZMB1339_1
(CLASS III CHITINASE
CHIA1)		 4w5z CHITINASE 60
(Moritella
marina) 		7 / 10 TYR A  36
PHE A  70
GLY A 117
ASP A 151
GLN A 218
TYR A 220
TRP A 311
 ACT  A 404 (-2.7A)
None
None
ACT  A 404 (-2.7A)
ACT  A 404 (-3.5A)
ACT  A 404 (-4.6A)
MPD  A 402 ( 3.4A)
 0.51A 2xtkB-4w5zA:
23.8		 2xtkB-4w5zA:
24.86
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.
2XYT_H_TC9H1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4ld1 UNCHARACTERIZED
PROTEIN
(Danio
rerio) 		4 / 7 THR A1037
GLN A1019
ILE A1031
ASP A1035
 None
MPD  A1204 (-2.9A)
None
None
 1.20A 2xytI-4ld1A:
undetectable		 2xytI-4ld1A:
24.27
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.
2XZ5_A_ACHA1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2w48 SORBITOL OPERON
REGULATOR
(Klebsiella
pneumoniae) 		4 / 7 TRP A 202
SER A 246
CYH A 245
ILE A 267
 None
MPD  A1317 ( 4.0A)
GOL  A1316 (-4.2A)
None
 1.26A 2xz5A-2w48A:
undetectable
2xz5B-2w48A:
undetectable		 2xz5A-2w48A:
19.14
2xz5B-2w48A:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YVL_B_SAMB602_1
(HYPOTHETICAL PROTEIN)		 5g3f THERMUS THERMOPHILUS
MULTICOPPER OXIDASE
(Thermus
thermophilus) 		3 / 3 GLU A 267
ASP A 392
TYR A 288
 MPD  A1466 (-3.8A)
None
None
 0.86A 2yvlB-5g3fA:
undetectable		 2yvlB-5g3fA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Z97_A_CAMA422_0
(CYTOCHROME P450-CAM)		 1kwg BETA-GALACTOSIDASE
(Thermus
thermophilus) 		4 / 6 THR A 247
LEU A 424
VAL A 427
VAL A 443
 None
MPD  A 802 ( 4.4A)
None
None
 0.89A 2z97A-1kwgA:
0.0		 2z97A-1kwgA:
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.
2ZXW_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 7 LEU A1146
GLN A1142
LEU A1184
PHE A1192
 None
MPD  A2228 (-3.2A)
None
None
 0.98A 2zxwC-3zhrA:
undetectable
2zxwJ-3zhrA:
undetectable		 2zxwC-3zhrA:
14.22
2zxwJ-3zhrA:
6.02
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.
3AF0_A_PAUA314_0
(PANTOTHENATE KINASE)		 2vug PAB1020
(Pyrococcus
abyssi) 		4 / 8 VAL A 157
LEU A 262
GLY A 255
TYR A 266
 None
MPD  A 502 (-4.9A)
None
None
 0.91A 3af0A-2vugA:
undetectable		 3af0A-2vugA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 7 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.86A 3ag2C-3zhrA:
undetectable		 3ag2C-3zhrA:
14.22
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.
3AG2_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 7 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.84A 3ag2P-3zhrA:
undetectable
3ag2W-3zhrA:
undetectable		 3ag2P-3zhrA:
14.22
3ag2W-3zhrA:
6.02
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.
3AG4_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 8 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.92A 3ag4C-3zhrA:
undetectable
3ag4J-3zhrA:
undetectable		 3ag4C-3zhrA:
14.22
3ag4J-3zhrA:
6.02
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.
3AG4_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 7 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.94A 3ag4P-3zhrA:
undetectable
3ag4W-3zhrA:
undetectable		 3ag4P-3zhrA:
14.22
3ag4W-3zhrA:
6.02
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.
3ASN_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 7 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.91A 3asnC-3zhrA:
undetectable
3asnJ-3zhrA:
undetectable		 3asnC-3zhrA:
14.22
3asnJ-3zhrA:
6.02
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		 3ib7 ICC PROTEIN
(Mycobacterium
tuberculosis) 		3 / 3 LEU A 109
VAL A  80
ARG A  77
 MPD  A 779 ( 4.7A)
None
None
 0.80A 3b0wB-3ib7A:
undetectable		 3b0wB-3ib7A:
21.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3B3P_B_H4BB760_1
(NITRIC-OXIDE
SYNTHASE)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 8 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.20A 3b3pA-1m9qA:
59.1
3b3pB-1m9qA:
58.9		 3b3pA-1m9qA:
64.72
3b3pB-1m9qA:
64.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_A_SVRA508_1
(PHOSPHOLIPASE A2)		 5kqi CATALASE-PEROXIDASE
(Burkholderia
pseudomallei) 		4 / 5 VAL A 652
PHE A 601
ARG A 649
ARG A 656
 None
None
None
MPD  A 808 ( 4.0A)
 1.30A 3bjwE-5kqiA:
undetectable		 3bjwE-5kqiA:
9.75
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.
3BJW_F_SVRF502_2
(PHOSPHOLIPASE A2)		 5gtq LUCIFERIN
REGENERATING ENZYME
(Photinus
pyralis) 		4 / 5 ILE A 174
SER A 176
PRO A 211
PHE A 227
 None
MPD  A 405 ( 3.7A)
None
MPD  A 405 (-3.6A)
 1.38A 3bjwC-5gtqA:
undetectable		 3bjwC-5gtqA:
17.42
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.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		 4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN
(Lactobacillus
acidophilus) 		4 / 6 ASP A 539
HIS A 207
HIS A 206
HIS A  86
 None
MPD  A 604 ( 4.9A)
None
None
 1.12A 3c0zC-4ia5A:
undetectable		 3c0zC-4ia5A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CL9_A_MTXA602_2
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		 3w5n PUTATIVE
RHAMNOSIDASE
(Streptomyces
avermitilis) 		4 / 4 VAL A 587
ARG A 571
ILE A 537
THR A 584
 None
MPD  A1207 ( 4.1A)
None
None
 1.39A 3cl9A-3w5nA:
undetectable		 3cl9A-3w5nA:
19.71
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.
3CWK_A_REAA300_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		5 / 12 ALA A 362
ALA A 349
PRO A 348
VAL A 492
GLU A 392
 None
MPD  A2001 (-3.5A)
MPD  A2001 (-4.7A)
None
None
 1.09A 3cwkA-2d4wA:
undetectable		 3cwkA-2d4wA:
15.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D91_A_REMA350_2
(RENIN)		 3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius) 		4 / 5 ALA A 255
ALA A 164
TYR A 167
MET A 412
 None
None
MPD  A 540 ( 4.1A)
None
 1.10A 3d91A-3rx8A:
undetectable		 3d91A-3rx8A:
20.66
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.
3D91_B_REMB350_1
(RENIN)		 4ksi LEUCINE
AMINOPEPTIDASE 1,
CHLOROPLASTIC
(Solanum
lycopersicum) 		5 / 12 GLY A 558
SER A 562
THR A 563
VAL A 544
LEU A 210
 None
MPD  A 613 ( 4.3A)
None
None
None
 1.23A 3d91B-4ksiA:
undetectable		 3d91B-4ksiA:
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.
3DCJ_B_THHB401_0
(PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN)		 5m8h ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT
(Psychrobacter
arcticus) 		4 / 8 ILE A 136
LEU A 152
THR A 305
VAL A 283
 MPD  A 406 (-4.6A)
None
MPD  A 406 (-3.8A)
None
 0.80A 3dcjB-5m8hA:
undetectable		 3dcjB-5m8hA:
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.
3DCM_X_SAMX5452_0
(UNCHARACTERIZED
PROTEIN TM_1570)		 6c4q POLYKETIDE SYNTHASE
PKS13
(Mycobacterium
tuberculosis) 		5 / 11 ALA A  62
LEU A  73
SER A  74
VAL A  75
ALA A  78
 None
None
None
None
MPD  A 201 ( 3.9A)
 0.88A 3dcmX-6c4qA:
undetectable		 3dcmX-6c4qA:
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.
3DDY_A_RBFA187_1
(LUMAZINE PROTEIN)		 6ek7 YAXA
(Yersinia
enterocolitica) 		5 / 12 SER A 126
ASN A 129
ILE A 132
ASN A 123
ILE A 124
 None
None
None
MPD  A 506 (-3.0A)
MPD  A 506 ( 4.9A)
 1.12A 3ddyA-6ek7A:
undetectable		 3ddyA-6ek7A:
18.58
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.
3DEU_B_SALB306_1
(TRANSCRIPTIONAL
REGULATOR SLYA)		 3o3x GP41-5
(synthetic
construct) 		4 / 6 THR A 105
THR A  24
LEU A 183
THR A 186
 None
MPD  A 199 ( 4.6A)
None
None
 0.96A 3deuB-3o3xA:
undetectable		 3deuB-3o3xA:
20.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DQT_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 SER A 102
VAL A 104
ARG A 365
TRP A 447
 None
MPD  A 605 (-4.7A)
MPD  A 605 ( 4.7A)
MPD  A 605 ( 4.0A)
 0.32A 3dqtA-1m9qA:
15.6
3dqtB-1m9qA:
62.1		 3dqtA-1m9qA:
95.17
3dqtB-1m9qA:
95.17
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.
3E22_D_LOCD700_2
(TUBULIN BETA-2B
CHAIN)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 11 CYH S  98
LEU S  95
LEU S 102
ASN S 134
ALA S 115
 None
None
None
MPD  S2004 (-4.0A)
None
 1.05A 3e22D-4u9iS:
3.7		 3e22D-4u9iS:
19.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3E7G_D_H4BD3902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 8 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.15A 3e7gC-1m9qA:
55.2
3e7gD-1m9qA:
14.4		 3e7gC-1m9qA:
60.10
3e7gD-1m9qA:
60.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3E9R_A_ACTA700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		4 / 6 GLY A 113
GLU A 192
GLY A 209
MET A 210
 ADE  A 502 (-3.6A)
ADE  A 502 (-2.9A)
ADE  A 502 (-3.5A)
MPD  A 503 ( 3.2A)
 0.48A 3e9rA-4lnaA:
38.6		 3e9rA-4lnaA:
43.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3E9R_C_ACTC700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		4 / 6 GLY A 113
GLU A 192
GLY A 209
MET A 210
 ADE  A 502 (-3.6A)
ADE  A 502 (-2.9A)
ADE  A 502 (-3.5A)
MPD  A 503 ( 3.2A)
 0.48A 3e9rC-4lnaA:
38.5		 3e9rC-4lnaA:
43.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EBZ_B_017B201_2
(PROTEASE)		 6dus TYPE III SECRETION
SYSTEM EFFECTOR
PROTEIN
(Salmonella
enterica) 		5 / 11 LEU A  76
ALA A 227
ASP A 226
ASP A 228
ILE A  80
 MPD  A 506 ( 4.9A)
UDP  A 501 (-3.8A)
UDP  A 501 (-3.4A)
MG  A 503 ( 2.4A)
MPD  A 506 (-4.5A)
 1.14A 3ebzB-6dusA:
undetectable		 3ebzB-6dusA:
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.
3EEY_A_SAMA300_0
(PUTATIVE RRNA
METHYLASE)		 2q3l UNCHARACTERIZED
PROTEIN
(Shewanella
loihica) 		5 / 12 GLY A  27
ASN A   4
ILE A  59
GLY A  91
LEU A  29
 None
None
MPD  A 129 ( 4.8A)
None
None
 1.15A 3eeyA-2q3lA:
undetectable		 3eeyA-2q3lA:
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.
3EEY_B_SAMB300_0
(PUTATIVE RRNA
METHYLASE)		 2q3l UNCHARACTERIZED
PROTEIN
(Shewanella
loihica) 		5 / 12 GLY A  27
ASN A   4
ILE A  59
GLY A  91
LEU A  29
 None
None
MPD  A 129 ( 4.8A)
None
None
 1.17A 3eeyB-2q3lA:
undetectable		 3eeyB-2q3lA:
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.
3EEY_H_SAMH300_0
(PUTATIVE RRNA
METHYLASE)		 2q3l UNCHARACTERIZED
PROTEIN
(Shewanella
loihica) 		5 / 12 GLY A  27
ASN A   4
ILE A  59
GLY A  91
LEU A  29
 None
None
MPD  A 129 ( 4.8A)
None
None
 1.14A 3eeyH-2q3lA:
undetectable		 3eeyH-2q3lA:
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.
3EEY_I_SAMI300_0
(PUTATIVE RRNA
METHYLASE)		 2q3l UNCHARACTERIZED
PROTEIN
(Shewanella
loihica) 		5 / 12 GLY A  27
ASN A   4
ILE A  59
GLY A  91
LEU A  29
 None
None
MPD  A 129 ( 4.8A)
None
None
 1.14A 3eeyI-2q3lA:
undetectable		 3eeyI-2q3lA:
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.
3EEY_I_SAMI300_0
(PUTATIVE RRNA
METHYLASE)		 4w5z CHITINASE 60
(Moritella
marina) 		5 / 12 GLY A 283
ILE A 250
GLY A 226
ASN A 221
LEU A 273
 None
None
None
MPD  A 402 ( 4.6A)
None
 1.18A 3eeyI-4w5zA:
undetectable		 3eeyI-4w5zA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL5_B_1UNB201_1
(PROTEASE)		 4v2p KETOSYNTHASE
(Myxococcus
fulvus) 		5 / 10 ALA A 119
VAL A 329
GLY A 295
ILE A 294
THR A 322
 None
None
None
MPD  A1340 (-4.5A)
None
 1.16A 3el5A-4v2pA:
undetectable		 3el5A-4v2pA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_B_CHDB153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 6cr0 (S)-6-HYDROXYNICOTIN
E OXIDASE
(Shinella
sp.
HZN7) 		4 / 6 THR A 198
PHE A 115
PHE A 183
TYR A 170
 None
None
None
MPD  A 505 (-3.8A)
 1.27A 3elzB-6cr0A:
undetectable		 3elzB-6cr0A:
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.
3ELZ_C_CHDC151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3dm9 SIGNAL RECOGNITION
PARTICLE RECEPTOR
(Pyrococcus
furiosus) 		5 / 10 ILE B 292
ILE B 284
VAL B 252
GLY B 248
LEU B 272
 None
None
MPD  B 501 ( 4.7A)
None
None
 1.10A 3elzC-3dm9B:
undetectable		 3elzC-3dm9B:
18.27
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.
3EM0_A_CHDA150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 5ofk GLYCOSIDE HYDROLASE
FAMILY 48
(Caldicellulosiru
ptor
bescii) 		5 / 12 MET A  49
THR A  88
VAL A 137
VAL A  74
ILE A  84
 None
None
None
MPD  A 405 ( 3.5A)
None
 1.14A 3em0A-5ofkA:
undetectable		 3em0A-5ofkA:
16.62
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.
3EM0_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3dm9 SIGNAL RECOGNITION
PARTICLE RECEPTOR
(Pyrococcus
furiosus) 		5 / 12 ILE B 292
ILE B 284
VAL B 252
LEU B   5
LEU B 272
 None
None
MPD  B 501 ( 4.7A)
None
None
 1.18A 3em0B-3dm9B:
undetectable		 3em0B-3dm9B:
18.27
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.
3ETE_C_H3PC554_1
(GLUTAMATE
DEHYDROGENASE)		 6glc E3 UBIQUITIN-PROTEIN
LIGASE PARKIN
(Homo
sapiens) 		4 / 5 ILE A 306
TYR A 267
ILE A 298
HIS A 302
 None
None
None
MPD  A 510 (-4.2A)
 1.13A 3eteB-6glcA:
undetectable
3eteC-6glcA:
undetectable		 3eteB-6glcA:
10.86
3eteC-6glcA:
10.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		7 / 12 TYR A  83
ALA A 111
GLY A 113
GLU A 192
VAL A 208
GLY A 209
MET A 210
 None
MPD  A 503 ( 4.0A)
ADE  A 502 (-3.6A)
ADE  A 502 (-2.9A)
ADE  A 502 (-4.5A)
ADE  A 502 (-3.5A)
MPD  A 503 ( 3.2A)
 0.32A 3f8wA-4lnaA:
39.3		 3f8wA-4lnaA:
43.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		7 / 12 HIS A  81
TYR A  83
GLY A 113
GLU A 192
VAL A 208
GLY A 209
MET A 210
 PO4  A 500 (-4.2A)
None
ADE  A 502 (-3.6A)
ADE  A 502 (-2.9A)
ADE  A 502 (-4.5A)
ADE  A 502 (-3.5A)
MPD  A 503 ( 3.2A)
 0.34A 3f8wB-4lnaA:
39.4		 3f8wB-4lnaA:
43.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		8 / 12 HIS A  81
TYR A  83
ALA A 111
GLY A 113
GLU A 192
VAL A 208
GLY A 209
MET A 210
 PO4  A 500 (-4.2A)
None
MPD  A 503 ( 4.0A)
ADE  A 502 (-3.6A)
ADE  A 502 (-2.9A)
ADE  A 502 (-4.5A)
ADE  A 502 (-3.5A)
MPD  A 503 ( 3.2A)
 0.32A 3f8wC-4lnaA:
39.2		 3f8wC-4lnaA:
43.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FXR_A_ASCA3001_0
(LYSR TYPE REGULATOR
OF TSAMBCD)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 8 ALA S 144
ILE S 145
ASN S 146
PRO S 179
PRO S 171
 None
None
MPD  S2004 (-3.5A)
None
None
 1.36A 3fxrA-4u9iS:
undetectable		 3fxrA-4u9iS:
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.
3FZG_A_SAMA300_0
(16S RRNA METHYLASE)		 3a71 EXO-ARABINANASE
(Penicillium
chrysogenum) 		5 / 12 HIS A 335
THR A 311
GLY A 358
GLY A 336
LEU A 360
 None
None
None
None
MPD  A 402 ( 4.7A)
 1.19A 3fzgA-3a71A:
undetectable		 3fzgA-3a71A:
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.
3G1U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3a71 EXO-ARABINANASE
(Penicillium
chrysogenum) 		5 / 12 THR A 288
GLN A 312
LEU A 360
GLY A 310
HIS A 335
 None
None
MPD  A 402 ( 4.7A)
None
None
 1.35A 3g1uB-3a71A:
undetectable		 3g1uB-3a71A:
18.59
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.
3G6M_A_CFFA1_1
(CHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		10 / 11 TYR A   6
PHE A  30
GLY A  72
ASP A 114
GLU A 116
MET A 183
TYR A 185
ASP A 186
TYR A 236
TRP A 317
 MPD  A 401 (-3.5A)
None
MPD  A 401 ( 4.6A)
MPD  A 401 (-4.3A)
MPD  A 401 (-2.7A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
None
None
MPD  A 401 (-3.8A)
 0.71A 3g6mA-4uriA:
40.9		 3g6mA-4uriA:
26.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GSS_B_EAAB211_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 3ebl GIBBERELLIN RECEPTOR
GID1
(Oryza
sativa) 		4 / 7 TYR A  31
ILE A 133
TYR A 134
GLY A 121
 MPD  A 501 ( 4.9A)
None
GA4  A 401 (-4.8A)
GA4  A 401 ( 4.6A)
 0.94A 3gssB-3eblA:
undetectable		 3gssB-3eblA:
19.45
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.
3GWV_A_RFXA801_1
(TRANSPORTER)		 2vy0 ENDO-BETA-1,3-GLUCAN
ASE
(Pyrococcus
furiosus) 		5 / 12 LEU A 123
LEU A 262
ARG A 122
ILE A 101
ALA A 152
 None
None
MPD  A1299 (-3.7A)
None
MPD  A1299 ( 3.9A)
 1.00A 3gwvA-2vy0A:
undetectable		 3gwvA-2vy0A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HAV_C_SRYC403_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 3lif PUTATIVE DIGUANYLATE
CYCLASE (GGDEF) WITH
PAS/PAC DOMAIN
(Rhodopseudomonas
palustris) 		5 / 12 SER A 170
ASP A 111
SER A 138
ASN A 134
ASP A 136
 None
MPD  A   1 ( 4.3A)
None
None
None
 1.38A 3havC-3lifA:
undetectable		 3havC-3lifA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCR_B_CHDB924_0
(FERROCHELATASE,
MITOCHONDRIAL)		 5b7z UNCHARACTERIZED
PROTEIN TM_0416
(Thermotoga
maritima) 		4 / 7 LEU A 137
ARG A 115
PRO A  45
GLY A  68
 None
None
MPD  A 302 ( 4.8A)
None
 1.06A 3hcrB-5b7zA:
undetectable		 3hcrB-5b7zA:
23.31
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.
3HLW_B_CE3B304_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1mkp PYST1
(Homo
sapiens) 		4 / 5 THR A 302
SER A 300
SER A 293
ARG A 299
 MPD  A 501 ( 4.2A)
None
CL  A 500 (-3.0A)
CL  A 500 (-4.6A)
 1.38A 3hlwB-1mkpA:
undetectable		 3hlwB-1mkpA:
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		 1wz8 ENOYL-COA HYDRATASE
(Thermus
thermophilus) 		5 / 11 LEU A  75
GLU A  78
ARG A  88
GLY A 242
LEU A 248
 MPD  A3003 (-4.7A)
None
None
None
None
 1.20A 3hm1B-1wz8A:
undetectable		 3hm1B-1wz8A:
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		 3ib7 ICC PROTEIN
(Mycobacterium
tuberculosis) 		5 / 11 LEU A 108
GLU A 111
LEU A 118
ARG A 120
GLY A  68
 None
None
MPD  A 779 ( 4.9A)
MPD  A 779 (-4.4A)
BTB  A 777 ( 4.6A)
 1.35A 3hm1B-3ib7A:
undetectable		 3hm1B-3ib7A:
19.88
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		 4y0e PUTATIVE DIOXYGENASE
(Mycobacteroides
abscessus) 		5 / 11 LEU A  38
LEU A  76
ARG A  47
GLY A  68
HIS A  63
 None
MPD  A 402 ( 4.1A)
MPD  A 402 (-4.3A)
None
None
 1.32A 3hm1B-4y0eA:
undetectable		 3hm1B-4y0eA:
24.32
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.
3IB2_A_IBPA3960_1
(LACTOTRANSFERRIN)		 2pnz PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1
(Pyrococcus
abyssi) 		4 / 4 GLY A 222
VAL A 226
GLY A 135
THR A 136
 MPD  A 252 ( 4.2A)
None
UDP  A 250 (-3.4A)
UDP  A 250 (-2.8A)
 0.88A 3ib2A-2pnzA:
undetectable		 3ib2A-2pnzA:
22.29
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.
3IK3_A_0LIA1_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 7 LEU L 277
TYR L 273
VAL L 170
ILE L 207
 None
None
MPD  S2008 ( 4.4A)
None
 1.24A 3ik3A-4u9iL:
undetectable		 3ik3A-4u9iL:
20.57
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.
3JAY_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		 4eye PROBABLE
OXIDOREDUCTASE
(Mycobacteroides
abscessus) 		5 / 12 GLY A  92
GLY A  91
ALA A   3
ILE A  63
PRO A 321
 None
None
None
MPD  A 401 (-4.3A)
None
 1.09A 3jayA-4eyeA:
undetectable		 3jayA-4eyeA:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JB2_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 2f6x (S)-3-O-GERANYLGERAN
YLGLYCERYL PHOSPHATE
SYNTHASE
(Archaeoglobus
fulgidus) 		5 / 12 SER A1037
MET A1035
PRO A1081
GLY A1193
ASN A1216
 None
None
MPD  A4001 (-3.7A)
1GP  A3001 (-3.0A)
1GP  A3001 (-3.9A)
 1.49A 3jb2A-2f6xA:
undetectable		 3jb2A-2f6xA:
13.03
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		4 / 8 PHE A 315
ASP A 112
TYR A   6
LEU A 229
 None
None
MPD  A 401 (-3.5A)
None
 0.81A 3jq7B-4uriA:
undetectable		 3jq7B-4uriA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQA_A_DX4A270_0
(PTERIDINE REDUCTASE
1)		 3a71 EXO-ARABINANASE
(Penicillium
chrysogenum) 		4 / 6 ARG A 227
SER A 289
TYR A 337
PRO A 165
 None
None
MPD  A 402 (-4.5A)
MPD  A 402 (-4.3A)
 1.34A 3jqaA-3a71A:
undetectable		 3jqaA-3a71A:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQA_B_DX4B270_0
(PTERIDINE REDUCTASE
1)		 3a71 EXO-ARABINANASE
(Penicillium
chrysogenum) 		4 / 6 ARG A 227
SER A 289
TYR A 337
PRO A 165
 None
None
MPD  A 402 (-4.5A)
MPD  A 402 (-4.3A)
 1.32A 3jqaB-3a71A:
undetectable		 3jqaB-3a71A:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JUS_A_ECLA600_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4n11 GLUTAREDOXIN
(Plasmodium
falciparum) 		4 / 8 LEU A  69
THR A  70
GLY A  87
ILE A  53
 MPD  A 202 ( 4.2A)
None
MPO  A 201 (-3.5A)
None
 0.74A 3jusA-4n11A:
undetectable		 3jusA-4n11A:
14.71
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.
3JUS_A_ECNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4n11 GLUTAREDOXIN
(Plasmodium
falciparum) 		4 / 8 LEU A  69
THR A  70
GLY A  87
ILE A  53
 MPD  A 202 ( 4.2A)
None
MPO  A 201 (-3.5A)
None
 0.74A 3jusA-4n11A:
undetectable		 3jusA-4n11A:
14.71
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.
3K13_A_THHA642_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 4l8k PUTATIVE PEPTIDASE
(Parabacteroides
merdae) 		5 / 12 ASN A 244
GLY A 265
ASP A 245
VAL A 217
PHE A  43
 None
None
MPD  A 403 (-4.0A)
MPD  A 403 (-4.3A)
None
 1.30A 3k13A-4l8kA:
undetectable		 3k13A-4l8kA:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ARG A1150
THR A1183
THR A1038
 None
None
MPD  A2228 ( 3.9A)
 0.72A 3k2hB-3zhrA:
undetectable		 3k2hB-3zhrA:
19.79
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.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		 1wz8 ENOYL-COA HYDRATASE
(Thermus
thermophilus) 		5 / 12 HIS A 141
GLY A 140
VAL A  97
GLY A 119
ALA A  93
 MPD  A3003 (-3.9A)
None
None
None
MPD  A3003 ( 4.4A)
 1.04A 3keeB-1wz8A:
undetectable		 3keeB-1wz8A:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		 1wz8 ENOYL-COA HYDRATASE
(Thermus
thermophilus) 		5 / 12 HIS A 141
GLY A 140
VAL A  97
GLY A 119
ALA A  93
 MPD  A3003 (-3.9A)
None
None
None
MPD  A3003 ( 4.4A)
 1.06A 3keeC-1wz8A:
undetectable		 3keeC-1wz8A:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		 5ajh CUTINASE
(Fusarium
oxysporum) 		5 / 12 GLY A  47
GLY A  75
ARG A  21
ALA A  25
ASP A  23
 None
None
None
MPD  A1219 ( 4.0A)
None
 1.02A 3keeD-5ajhA:
undetectable		 3keeD-5ajhA:
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.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		 5ajh CUTINASE
(Fusarium
oxysporum) 		4 / 8 ASN A  48
LEU A 126
HIS A 102
ASN A  22
 None
None
None
MPD  A1219 (-3.6A)
 1.13A 3kp2A-5ajhA:
undetectable
3kp2B-5ajhA:
undetectable		 3kp2A-5ajhA:
20.45
3kp2B-5ajhA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KU9_B_SPMB700_1
(POLYAMINE OXIDASE)		 6cr0 (S)-6-HYDROXYNICOTIN
E OXIDASE
(Shinella
sp.
HZN7) 		4 / 7 GLU A 166
TYR A 414
GLU A 201
TYR A 111
 MPD  A 504 (-3.5A)
MPD  A 505 ( 3.8A)
MPD  A 504 (-3.2A)
MPD  A 503 (-3.8A)
 1.10A 3ku9B-6cr0A:
35.1		 3ku9B-6cr0A:
10.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3L8L_B_DVAB6_0
(GRAMICIDIN D)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		3 / 3 TRP A 102
ALA A  85
VAL A 101
 MPD  A   1 ( 3.9A)
None
None
 0.97A 3l8lA-2d4wA:
undetectable
3l8lB-2d4wA:
undetectable		 3l8lA-2d4wA:
4.98
3l8lB-2d4wA:
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.
3L8L_D_DVAD6_0
(GRAMICIDIN D)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		3 / 3 TRP A 102
ALA A  85
VAL A 101
 MPD  A   1 ( 3.9A)
None
None
 0.94A 3l8lC-2d4wA:
undetectable
3l8lD-2d4wA:
undetectable		 3l8lC-2d4wA:
4.98
3l8lD-2d4wA:
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.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1f07 COENZYME
F420-DEPENDENT
N5,N10-METHYLENETETR
AHYDROMETHANOPTERIN
REDUCTASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 PHE A 236
PHE A 273
GLY A 246
ALA A 229
ILE A 170
 None
None
None
None
MPD  A 335 (-4.8A)
 1.32A 3ld6A-1f07A:
0.0		 3ld6A-1f07A:
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.
3LN1_D_CELD682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2ja1 THYMIDINE KINASE
(Bacillus
cereus) 		4 / 5 ARG A 121
LEU A 116
ILE A  46
PHE A  92
 None
MPD  A1194 (-4.6A)
None
MPD  A1194 (-4.9A)
 1.20A 3ln1D-2ja1A:
undetectable		 3ln1D-2ja1A:
15.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		 1i3g ANTIBODY FV FRAGMENT
(Mus
musculus) 		4 / 5 TYR L  44
GLN L 107
LEU L 137
PHE L 139
 None
MPD  L 500 (-3.1A)
None
None
 0.52A 3ls4L-1i3gL:
21.4		 3ls4L-1i3gL:
59.82
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.
3MBG_A_ACTA500_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 3fsx TETRAHYDRODIPICOLINA
TE
N-SUCCINYLTRANSFERAS
E
(Mycobacterium
tuberculosis) 		4 / 4 ALA A  28
HIS A  94
HIS A  90
PRO A  29
 None
MPD  A 340 (-4.7A)
None
None
 1.44A 3mbgA-3fsxA:
undetectable		 3mbgA-3fsxA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_C_ACTC900_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 3fsx TETRAHYDRODIPICOLINA
TE
N-SUCCINYLTRANSFERAS
E
(Mycobacterium
tuberculosis) 		4 / 4 ALA A  28
HIS A  94
HIS A  90
PRO A  29
 None
MPD  A 340 (-4.7A)
None
None
 1.42A 3mbgC-3fsxA:
undetectable		 3mbgC-3fsxA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MTE_A_SAMA220_0
(16S RRNA METHYLASE)		 4v2p KETOSYNTHASE
(Myxococcus
fulvus) 		5 / 12 GLY A 295
PRO A 299
ALA A 171
ALA A 170
SER A 324
 None
None
None
None
MPD  A1339 (-3.3A)
 1.23A 3mteA-4v2pA:
undetectable		 3mteA-4v2pA:
20.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N5T_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 SER A 102
VAL A 104
ARG A 365
TRP A 447
 None
MPD  A 605 (-4.7A)
MPD  A 605 ( 4.7A)
MPD  A 605 ( 4.0A)
 0.41A 3n5tA-1m9qA:
62.3
3n5tB-1m9qA:
62.2		 3n5tA-1m9qA:
95.17
3n5tB-1m9qA:
95.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N62_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		3 / 3 GLY A 186
TRP A 356
VAL A 418
 MPD  A 604 (-3.8A)
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
 0.09A 3n62B-1m9qA:
59.2		 3n62B-1m9qA:
64.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N65_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		3 / 3 GLY A 186
TRP A 356
VAL A 418
 MPD  A 604 (-3.8A)
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
 0.10A 3n65B-1m9qA:
59.2		 3n65B-1m9qA:
64.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N66_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		3 / 3 GLY A 186
TRP A 356
VAL A 418
 MPD  A 604 (-3.8A)
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
 0.10A 3n66B-1m9qA:
30.8		 3n66B-1m9qA:
64.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N6D_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 6 VAL A 104
ARG A 365
TRP A 447
PRO A 451
 MPD  A 605 (-4.7A)
MPD  A 605 ( 4.7A)
MPD  A 605 ( 4.0A)
None
 0.45A 3n6dA-1m9qA:
34.9
3n6dB-1m9qA:
60.3		 3n6dA-1m9qA:
94.93
3n6dB-1m9qA:
94.93
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.
3NDX_A_RITA100_2
(PROTEASE)		 3fsx TETRAHYDRODIPICOLINA
TE
N-SUCCINYLTRANSFERAS
E
(Mycobacterium
tuberculosis) 		6 / 11 ARG A  95
ALA A 165
ASP A 166
ASP A 164
VAL A 160
ILE A 162
 MPD  A 340 (-3.9A)
None
NA  A 334 ( 3.7A)
NA  A 334 (-3.3A)
None
None
 1.46A 3ndxB-3fsxA:
undetectable		 3ndxB-3fsxA:
15.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NLQ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 8 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.23A 3nlqA-1m9qA:
59.2
3nlqB-1m9qA:
58.7		 3nlqA-1m9qA:
65.19
3nlqB-1m9qA:
65.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NLR_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 8 SER A 102
VAL A 104
ARG A 365
TRP A 447
 None
MPD  A 605 (-4.7A)
MPD  A 605 ( 4.7A)
MPD  A 605 ( 4.0A)
 0.22A 3nlrA-1m9qA:
59.6
3nlrB-1m9qA:
30.7		 3nlrA-1m9qA:
65.19
3nlrB-1m9qA:
65.19
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.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 4wgx MOLINATE HYDROLASE
(Gulosibacter
molinativorax) 		4 / 6 GLN A 298
HIS A 215
HIS A 251
ASP A 342
 None
MPD  A 502 (-3.3A)
MPD  A 502 ( 4.4A)
MPD  A 502 (-2.7A)
 1.12A 3nvcA-4wgxA:
undetectable		 3nvcA-4wgxA:
23.31
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.
3NVK_I_SAMI228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 5b7z UNCHARACTERIZED
PROTEIN TM_0416
(Thermotoga
maritima) 		5 / 12 GLY A 112
THR A 156
ILE A 110
VAL A 114
GLU A 119
 None
None
None
None
MPD  A 301 ( 4.3A)
 1.15A 3nvkI-5b7zA:
undetectable		 3nvkI-5b7zA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NW2_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 1vrm HYPOTHETICAL PROTEIN
TM1553
(Thermotoga
maritima) 		3 / 3 ARG A  58
ILE A 224
TRP A 234
 MPD  A   3 (-3.9A)
None
None
 1.07A 3nw2A-1vrmA:
undetectable		 3nw2A-1vrmA:
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.
3NW2_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 1vrm HYPOTHETICAL PROTEIN
TM1553
(Thermotoga
maritima) 		3 / 3 ARG A  58
ILE A 224
TRP A 234
 MPD  A   3 (-3.9A)
None
None
 1.16A 3nw2B-1vrmA:
undetectable		 3nw2B-1vrmA:
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.
3NXU_B_RITB600_2
(CYTOCHROME P450 3A4)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		5 / 9 ILE A 249
THR A 212
LEU A 260
GLU A 257
GLY A  78
 MPD  A 503 ( 4.4A)
None
None
None
None
 0.88A 3nxuB-4lnaA:
undetectable		 3nxuB-4lnaA:
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.
3O1C_A_ADNA127_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 1)		 3r6f HIT FAMILY PROTEIN
(Encephalitozoon
cuniculi) 		6 / 10 ILE A   5
PHE A   6
ASP A  28
LEU A  38
HIS A  91
HIS A  93
 None
MPD  A 134 ( 4.9A)
MPD  A 134 (-3.3A)
None
SO4  A 133 (-3.6A)
SO4  A 133 (-4.3A)
 0.33A 3o1cA-3r6fA:
14.3		 3o1cA-3r6fA:
27.39
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.
3O1X_A_ADNA1450_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 1)		 3r6f HIT FAMILY PROTEIN
(Encephalitozoon
cuniculi) 		6 / 10 ILE A   5
PHE A   6
ASP A  28
LEU A  38
HIS A  91
HIS A  93
 None
MPD  A 134 ( 4.9A)
MPD  A 134 (-3.3A)
None
SO4  A 133 (-3.6A)
SO4  A 133 (-4.3A)
 0.34A 3o1xA-3r6fA:
14.2		 3o1xA-3r6fA:
27.39
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.
3OKX_A_SAMA201_0
(YAEB-LIKE PROTEIN
RPA0152)		 2ehq 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE
(Thermus
thermophilus) 		5 / 12 TYR A 145
LEU A 503
ARG A 151
GLY A 196
LEU A 500
 None
None
MPD  A1533 (-4.2A)
None
MPD  A1533 ( 3.7A)
 1.33A 3okxA-2ehqA:
undetectable		 3okxA-2ehqA:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P4W_D_DSFD319_1
(GLR4197 PROTEIN)		 6dus TYPE III SECRETION
SYSTEM EFFECTOR
PROTEIN
(Salmonella
enterica) 		5 / 10 ILE A  65
VAL A  93
TYR A 114
ILE A  80
ILE A  79
 None
None
None
MPD  A 506 (-4.5A)
None
 0.98A 3p4wD-6dusA:
undetectable		 3p4wD-6dusA:
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.
3P4W_E_DSFE319_1
(GLR4197 PROTEIN)		 6dus TYPE III SECRETION
SYSTEM EFFECTOR
PROTEIN
(Salmonella
enterica) 		5 / 10 ILE A  65
VAL A  93
TYR A 114
ILE A  80
ILE A  79
 None
None
None
MPD  A 506 (-4.5A)
None
 0.98A 3p4wE-6dusA:
undetectable		 3p4wE-6dusA:
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.
3QGZ_A_ADNA127_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 1)		 3r6f HIT FAMILY PROTEIN
(Encephalitozoon
cuniculi) 		6 / 10 ILE A   5
PHE A   6
ASP A  28
LEU A  38
HIS A  91
HIS A  93
 None
MPD  A 134 ( 4.9A)
MPD  A 134 (-3.3A)
None
SO4  A 133 (-3.6A)
SO4  A 133 (-4.3A)
 0.33A 3qgzA-3r6fA:
14.4		 3qgzA-3r6fA:
27.39
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.
3QJ7_A_SPMA264_1
(THYMIDYLATE SYNTHASE)		 3hrp UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 8 ARG A  98
ASP A 372
ASP A 354
TYR A 358
 MPD  A   1 (-4.5A)
EDO  A   8 (-2.6A)
MPD  A   1 (-3.3A)
None
 0.98A 3qj7A-3hrpA:
undetectable
3qj7D-3hrpA:
undetectable		 3qj7A-3hrpA:
22.56
3qj7D-3hrpA:
22.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QXT_B_MTXB2000_1
(ANTI-METHOTREXATE
CDR1-3 GRAFT VHH)		 1sjx IMMUNOGLOBULIN VH
DOMAIN
(Lama
glama) 		6 / 12 VAL A 802
LEU A 804
MET A 834
VAL A 878
ALA A 897
TYR A 908
 None
None
MPD  A8001 ( 3.5A)
None
None
None
 0.87A 3qxtB-1sjxA:
21.0		 3qxtB-1sjxA:
69.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R75_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		5 / 12 ILE A 162
SER A 159
GLY A 158
THR A 184
SER A 211
 None
None
None
None
MPD  A 402 (-2.7A)
 1.39A 3r75A-4uriA:
undetectable		 3r75A-4uriA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R75_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		5 / 12 ILE A 162
SER A 159
GLY A 158
THR A 184
SER A 211
 None
None
None
None
MPD  A 402 (-2.7A)
 1.40A 3r75B-4uriA:
undetectable		 3r75B-4uriA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RET_A_SALA201_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 3f65 CHAPERONE PROTEIN
FAEE
(Escherichia
coli) 		5 / 10 ARG A 112
ALA A 148
ARG A   8
TYR A 145
ILE A  10
 None
None
MPD  A 225 (-3.7A)
None
None
 1.30A 3retA-3f65A:
undetectable
3retB-3f65A:
undetectable		 3retA-3f65A:
19.00
3retB-3f65A:
19.00
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.
3SFU_A_RBVA601_1
(RNA POLYMERASE)		 2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE
(Bifidobacterium
longum) 		5 / 9 THR A1272
ASN A1273
GLY A1274
ASP A1442
ASP A1322
 None
MPD  A1695 (-4.4A)
MPD  A1695 ( 3.2A)
MN  A   4 (-2.3A)
None
 1.47A 3sfuA-2zxqA:
undetectable		 3sfuA-2zxqA:
17.00
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.
3SFU_B_RBVB601_1
(RNA POLYMERASE)		 2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE
(Bifidobacterium
longum) 		5 / 9 THR A1272
ASN A1273
GLY A1274
ASP A1442
ASP A1322
 None
MPD  A1695 (-4.4A)
MPD  A1695 ( 3.2A)
MN  A   4 (-2.3A)
None
 1.47A 3sfuB-2zxqA:
undetectable		 3sfuB-2zxqA:
17.00
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.
3SP9_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		 5wjm CADHERIN-23
(Mus
musculus) 		5 / 12 LEU A1891
PHE A1877
LEU A1922
VAL A1924
ILE A1867
 None
MPD  A2009 (-3.7A)
None
None
None
 0.96A 3sp9A-5wjmA:
undetectable		 3sp9A-5wjmA:
14.23
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.
3TGV_B_BEZB1_0
(HEME-BINDING PROTEIN
HUTZ)		 5c90 ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT
(Staphylococcus
aureus) 		4 / 6 GLN A  82
TYR A  78
PHE A 102
LEU A 154
 None
None
None
MPD  A2001 ( 4.8A)
 1.44A 3tgvB-5c90A:
undetectable		 3tgvB-5c90A:
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.
3TKG_C_ROCC901_3
(PROTEASE)		 2e7z ACETYLENE HYDRATASE
AHY
(Pelobacter
acetylenicus) 		3 / 3 ASP A  13
THR A  40
PRO A  41
 MGD  A 802 (-3.2A)
MPD  A1004 (-3.4A)
MPD  A1004 ( 4.9A)
 0.51A 3tkgD-2e7zA:
undetectable		 3tkgD-2e7zA:
11.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TTR_A_LQZA90_1
(LACTOTRANSFERRIN)		 2f6x (S)-3-O-GERANYLGERAN
YLGLYCERYL PHOSPHATE
SYNTHASE
(Archaeoglobus
fulgidus) 		3 / 3 PRO A1081
THR A1082
LEU A1161
 MPD  A4001 (-3.7A)
None
None
 0.63A 3ttrA-2f6xA:
undetectable		 3ttrA-2f6xA:
20.06
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.
3U40_C_ADNC251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		5 / 12 GLY A 113
VAL A 208
MET A 210
ASP A 234
CYH A 236
 ADE  A 502 (-3.6A)
ADE  A 502 (-4.5A)
MPD  A 503 ( 3.2A)
ADE  A 502 (-2.9A)
ADE  A 502 (-3.4A)
 0.52A 3u40B-4lnaA:
20.6
3u40C-4lnaA:
20.2		 3u40B-4lnaA:
21.81
3u40C-4lnaA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_E_ADNE251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4lna PURINE NUCLEOSIDE
PHOSPHORYLASE
(Spirosoma
linguale) 		5 / 12 GLY A 113
VAL A 208
MET A 210
ASP A 234
CYH A 236
 ADE  A 502 (-3.6A)
ADE  A 502 (-4.5A)
MPD  A 503 ( 3.2A)
ADE  A 502 (-2.9A)
ADE  A 502 (-3.4A)
 0.43A 3u40D-4lnaA:
20.6
3u40E-4lnaA:
20.2		 3u40D-4lnaA:
21.81
3u40E-4lnaA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFN_A_ROCA401_2
(HIV-1 PROTEASE)		 5m8h ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT
(Psychrobacter
arcticus) 		4 / 7 ARG A  95
VAL A 283
GLY A 285
VAL A 138
 None
None
MPD  A 406 ( 3.9A)
None
 0.75A 3ufnB-5m8hA:
undetectable		 3ufnB-5m8hA:
14.25
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.
3UJ6_A_SAMA300_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 3f8h PUTATIVE POLYKETIDE
CYCLASE
(Ruegeria
sp.
TM1040) 		4 / 4 SER A 104
ASP A 107
ASP A  69
ALA A  73
 MPD  A 133 (-3.6A)
None
None
None
 1.43A 3uj6A-3f8hA:
undetectable		 3uj6A-3f8hA:
19.33
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.
3V3N_A_MIYA2001_1
(TETX2 PROTEIN)		 1sjx IMMUNOGLOBULIN VH
DOMAIN
(Lama
glama) 		5 / 11 GLN A 911
MET A 834
GLY A 910
GLY A 826
ASN A 876
 None
MPD  A8001 ( 3.5A)
None
None
None
 1.39A 3v3nA-1sjxA:
undetectable		 3v3nA-1sjxA:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V3N_B_MIYB2001_1
(TETX2 PROTEIN)		 5ajh CUTINASE
(Fusarium
oxysporum) 		4 / 8 PHE A 148
HIS A 189
GLY A 149
GLY A  50
 None
MPD  A1221 (-4.0A)
None
None
 0.88A 3v3nB-5ajhA:
2.8		 3v3nB-5ajhA:
20.47
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.
3V3N_C_MIYC2001_1
(TETX2 PROTEIN)		 5ajh CUTINASE
(Fusarium
oxysporum) 		4 / 8 PHE A 148
HIS A 189
GLY A 149
GLY A  50
 None
MPD  A1221 (-4.0A)
None
None
 0.88A 3v3nC-5ajhA:
2.8		 3v3nC-5ajhA:
20.47
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.
3V3N_D_MIYD2001_1
(TETX2 PROTEIN)		 1sjx IMMUNOGLOBULIN VH
DOMAIN
(Lama
glama) 		5 / 11 GLN A 911
MET A 834
GLY A 910
GLY A 826
ASN A 876
 None
MPD  A8001 ( 3.5A)
None
None
None
 1.39A 3v3nD-1sjxA:
undetectable		 3v3nD-1sjxA:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V3O_D_T1CD401_1
(TETX2 PROTEIN)		 1wz8 ENOYL-COA HYDRATASE
(Thermus
thermophilus) 		5 / 10 ASP A 139
HIS A 151
GLY A 251
GLY A 117
MET A  79
 None
None
None
None
MPD  A3003 ( 4.0A)
 1.39A 3v3oD-1wz8A:
0.0		 3v3oD-1wz8A:
22.69
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.
3VM4_A_IZPA1_1
(FATTY ACID
ALPHA-HYDROXYLASE)		 3hi0 PUTATIVE
EXOPOLYPHOSPHATASE
(Agrobacterium
fabrum) 		4 / 5 LEU A 307
ARG A  36
PRO A 316
ALA A  37
 None
None
None
MPD  A 508 ( 4.8A)
 1.48A 3vm4A-3hi0A:
undetectable		 3vm4A-3hi0A:
25.78
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.
3VW1_D_CVID301_1
(PUTATIVE REGULATORY
PROTEIN)		 2i39 PROTEIN N1
(Vaccinia
virus) 		3 / 3 TYR A  20
MET A   1
LEU A 113
 MPD  A 501 (-3.7A)
None
None
 0.94A 3vw1D-2i39A:
undetectable		 3vw1D-2i39A:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W67_C_VIVC301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN
(Lactobacillus
acidophilus) 		5 / 12 LEU A 338
SER A 342
ALA A 187
ILE A 292
PHE A 344
 None
None
MPD  A 605 ( 3.9A)
None
None
 1.17A 3w67C-4ia5A:
undetectable		 3w67C-4ia5A:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_E_W9TE506_1
(HEMOLYTIC LECTIN
CEL-III)		 4ew9 PECTATE LYASE
(Caldicellulosiru
ptor
bescii) 		4 / 6 THR A   0
ASN A   1
GLY A  22
ASP A  21
 None
MPD  A 207 (-4.7A)
None
None
 0.81A 3w9tE-4ew9A:
undetectable		 3w9tE-4ew9A:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_F_W9TF512_1
(HEMOLYTIC LECTIN
CEL-III)		 4ew9 PECTATE LYASE
(Caldicellulosiru
ptor
bescii) 		4 / 6 THR A   0
ASN A   1
GLY A  22
ASP A  21
 None
MPD  A 207 (-4.7A)
None
None
 0.82A 3w9tF-4ew9A:
undetectable		 3w9tF-4ew9A:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQV_A_GCSA501_1
(CHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		7 / 11 GLY A  73
GLU A 116
MET A 183
TYR A 185
ASP A 186
TYR A 236
TRP A 317
 MPD  A 401 (-3.9A)
MPD  A 401 (-2.7A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
None
None
MPD  A 401 (-3.8A)
 0.96A 3wqvA-4uriA:
42.5		 3wqvA-4uriA:
27.90
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.
3WQV_A_GCSA501_1
(CHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		5 / 11 PHE A  30
GLY A  72
ASP A 114
TYR A 185
TRP A 317
 None
MPD  A 401 ( 4.6A)
MPD  A 401 (-4.3A)
MPD  A 401 (-4.8A)
MPD  A 401 (-3.8A)
 0.95A 3wqvA-4uriA:
42.5		 3wqvA-4uriA:
27.90
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.
3WQV_A_GCSA501_1
(CHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		8 / 11 PHE A  30
GLY A  72
GLU A 116
MET A 183
TYR A 185
ASP A 186
TYR A 236
TRP A 317
 None
MPD  A 401 ( 4.6A)
MPD  A 401 (-2.7A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
None
None
MPD  A 401 (-3.8A)
 0.45A 3wqvA-4uriA:
42.5		 3wqvA-4uriA:
27.90
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.
3WQV_A_GCSA501_1
(CHITINASE)		 4w5z CHITINASE 60
(Moritella
marina) 		5 / 11 PHE A  70
GLY A 117
ASP A 151
TYR A 220
TRP A 311
 None
None
ACT  A 404 (-2.7A)
ACT  A 404 (-4.6A)
MPD  A 402 ( 3.4A)
 0.64A 3wqvA-4w5zA:
21.5		 3wqvA-4w5zA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQW_A_GCSA501_1
(CHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		7 / 11 GLY A  73
GLU A 116
MET A 183
TYR A 185
ASP A 186
TYR A 236
TRP A 317
 MPD  A 401 (-3.9A)
MPD  A 401 (-2.7A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
None
None
MPD  A 401 (-3.8A)
 0.96A 3wqwA-4uriA:
42.6		 3wqwA-4uriA:
27.90
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.
3WQW_A_GCSA501_1
(CHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		5 / 11 PHE A  30
GLY A  72
ASP A 114
TYR A 185
TRP A 317
 None
MPD  A 401 ( 4.6A)
MPD  A 401 (-4.3A)
MPD  A 401 (-4.8A)
MPD  A 401 (-3.8A)
 0.96A 3wqwA-4uriA:
42.6		 3wqwA-4uriA:
27.90
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.
3WQW_A_GCSA501_1
(CHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		8 / 11 PHE A  30
GLY A  72
GLU A 116
MET A 183
TYR A 185
ASP A 186
TYR A 236
TRP A 317
 None
MPD  A 401 ( 4.6A)
MPD  A 401 (-2.7A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
None
None
MPD  A 401 (-3.8A)
 0.47A 3wqwA-4uriA:
42.6		 3wqwA-4uriA:
27.90
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.
3WQW_A_GCSA501_1
(CHITINASE)		 4w5z CHITINASE 60
(Moritella
marina) 		5 / 11 PHE A  70
GLY A 117
ASP A 151
TYR A 220
TRP A 311
 None
None
ACT  A 404 (-2.7A)
ACT  A 404 (-4.6A)
MPD  A 402 ( 3.4A)
 0.64A 3wqwA-4w5zA:
21.5		 3wqwA-4w5zA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRI_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 3in6 FMN-BINDING PROTEIN
(Syntrophomonas
wolfei) 		4 / 5 LEU A  34
GLY A  79
ILE A 136
VAL A 137
 None
None
MPD  A 149 (-4.4A)
None
 0.81A 3wriA-3in6A:
undetectable		 3wriA-3in6A:
17.97
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.
3WRI_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 3in6 FMN-BINDING PROTEIN
(Syntrophomonas
wolfei) 		4 / 5 LEU A  34
GLY A  79
ILE A 136
VAL A 137
 None
None
MPD  A 149 (-4.4A)
None
 0.80A 3wriB-3in6A:
undetectable		 3wriB-3in6A:
17.97
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.
3WRK_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 3in6 FMN-BINDING PROTEIN
(Syntrophomonas
wolfei) 		4 / 5 LEU A  34
GLY A  79
ILE A 136
VAL A 137
 None
None
MPD  A 149 (-4.4A)
None
 0.84A 3wrkA-3in6A:
undetectable		 3wrkA-3in6A:
17.97
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.
3X2Q_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 7 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.95A 3x2qC-3zhrA:
undetectable
3x2qJ-3zhrA:
undetectable		 3x2qC-3zhrA:
14.22
3x2qJ-3zhrA:
6.02
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.
3X2Q_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 7 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.97A 3x2qP-3zhrA:
undetectable
3x2qW-3zhrA:
undetectable		 3x2qP-3zhrA:
14.22
3x2qW-3zhrA:
6.02
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.
3ZOD_A_HQEA1173_1
(FMN-BINDING PROTEIN)		 1kwg BETA-GALACTOSIDASE
(Thermus
thermophilus) 		4 / 7 TYR A 428
ASP A 291
HIS A 297
HIS A 289
 MPD  A 802 ( 4.4A)
None
None
None
 1.41A 3zodA-1kwgA:
0.0		 3zodA-1kwgA:
13.64
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.
3ZQE_B_DXCB1079_0
(PROTEIN PRGI, CELL
INVASION PROTEIN
SIPD)		 4x90 GROUP XV
PHOSPHOLIPASE A2
(Homo
sapiens) 		5 / 11 PRO A 196
SER A 165
GLN A 227
THR A 233
LEU A 236
 MPD  A 409 ( 4.7A)
MPD  A 409 (-3.5A)
MPD  A 408 ( 4.3A)
MPD  A 409 ( 4.7A)
MPD  A 409 (-4.8A)
 1.49A 3zqeA-4x90A:
undetectable
3zqeB-4x90A:
undetectable		 3zqeA-4x90A:
22.53
3zqeB-4x90A:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A81_A_DXCA1161_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 12 GLY L 425
ILE L 432
VAL L 436
ASN L 476
LEU L 392
 None
None
None
None
MPD  L 604 ( 4.4A)
 1.16A 4a81A-4u9iL:
undetectable		 4a81A-4u9iL:
15.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A99_D_MIYD391_1
(TETX2 PROTEIN)		 1sjx IMMUNOGLOBULIN VH
DOMAIN
(Lama
glama) 		5 / 11 GLN A 911
MET A 834
GLY A 910
GLY A 826
ASN A 876
 None
MPD  A8001 ( 3.5A)
None
None
None
 1.42A 4a99D-1sjxA:
undetectable		 4a99D-1sjxA:
16.37
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.
4AC9_C_DXCC1475_0
(MJ0495-LIKE PROTEIN)		 2g37 PROLINE
DEHYDROGENASE/DELTA-
1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE
(Thermus
thermophilus) 		4 / 8 ILE A  59
PHE A 129
VAL A 161
GLY A 159
 None
MPD  A 373 (-3.6A)
FAD  A2001 (-4.3A)
None
 0.82A 4ac9C-2g37A:
2.6		 4ac9C-2g37A:
23.68
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.
4ACB_C_DXCC1478_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 6 THR A1038
ILE A1039
THR A1183
PHE A1180
 MPD  A2228 ( 3.9A)
None
None
None
 1.04A 4acbC-3zhrA:
3.4		 4acbC-3zhrA:
20.02
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.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		 5ohs -
(-) 		5 / 12 LEU A 284
VAL A 138
SER A 153
ASN A 523
TYR A 491
 NSQ  A 709 (-3.6A)
None
MPD  A 705 (-3.0A)
None
NSQ  A 709 (-4.2A)
 1.48A 4amjB-5ohsA:
undetectable		 4amjB-5ohsA:
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.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)		 2w48 SORBITOL OPERON
REGULATOR
(Klebsiella
pneumoniae) 		4 / 7 LEU A 179
GLY A 228
TYR A 227
SER A 232
 MPD  A1317 (-3.9A)
None
MPD  A1317 (-4.4A)
None
 1.02A 4cp3A-2w48A:
undetectable
4cp3B-2w48A:
undetectable		 4cp3A-2w48A:
18.62
4cp3B-2w48A:
18.62
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.
4CTK_A_SAMA1263_0
(POLYPROTEIN)		 2ehq 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE
(Thermus
thermophilus) 		6 / 12 GLY A 125
GLY A 319
GLY A 316
GLY A 361
GLU A 130
ASP A 293
 None
None
MPD  A1534 ( 4.2A)
None
None
None
 1.37A 4ctkA-2ehqA:
3.3		 4ctkA-2ehqA:
19.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4CWX_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.19A 4cwxA-1m9qA:
62.6
4cwxB-1m9qA:
16.1		 4cwxA-1m9qA:
95.17
4cwxB-1m9qA:
95.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4CWY_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.19A 4cwyA-1m9qA:
62.6
4cwyB-1m9qA:
16.0		 4cwyA-1m9qA:
95.17
4cwyB-1m9qA:
95.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4CWY_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.19A 4cwyA-1m9qA:
62.6
4cwyB-1m9qA:
16.0		 4cwyA-1m9qA:
95.17
4cwyB-1m9qA:
95.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4CX7_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 8 TRP A 445
PHE A 460
HIS A 461
GLU A 463
 MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
None
 0.21A 4cx7A-1m9qA:
55.1
4cx7B-1m9qA:
55.0		 4cx7A-1m9qA:
59.43
4cx7B-1m9qA:
59.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4D33_A_ACTA860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		5 / 5 GLY A 186
ILE A 188
TRP A 356
VAL A 418
SER A 426
 MPD  A 604 (-3.8A)
None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
MPD  A 604 (-3.1A)
 0.27A 4d33A-1m9qA:
61.1		 4d33A-1m9qA:
95.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4D33_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		5 / 5 GLY A 186
ILE A 188
TRP A 356
VAL A 418
SER A 426
 MPD  A 604 (-3.8A)
None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
MPD  A 604 (-3.1A)
 0.27A 4d33B-1m9qA:
61.2		 4d33B-1m9qA:
95.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4D39_A_ACTA860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 4 GLY A 186
TRP A 356
VAL A 418
SER A 426
 MPD  A 604 (-3.8A)
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
MPD  A 604 (-3.1A)
 0.20A 4d39A-1m9qA:
62.4		 4d39A-1m9qA:
95.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4D39_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		6 / 6 GLY A 186
ILE A 188
GLN A 189
TRP A 356
VAL A 418
SER A 426
 MPD  A 604 (-3.8A)
None
None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
MPD  A 604 (-3.1A)
 0.26A 4d39B-1m9qA:
62.4		 4d39B-1m9qA:
95.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_A_ADNA500_1
(SUGAR KINASE PROTEIN)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		6 / 12 GLY A 245
ASN A  80
THR A 290
LEU A 288
GLU A  83
THR A 183
 None
None
None
None
MPD  A   1 (-2.7A)
None
 1.47A 4e3aA-2d4wA:
undetectable		 4e3aA-2d4wA:
23.92
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.
4E3A_B_ADNB500_1
(SUGAR KINASE PROTEIN)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		6 / 12 GLY A 245
ASN A  80
THR A 290
LEU A 288
GLU A  83
THR A 183
 None
None
None
None
MPD  A   1 (-2.7A)
None
 1.48A 4e3aB-2d4wA:
undetectable		 4e3aB-2d4wA:
23.92
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.
4E47_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4apm APICAL MEMBRANE
ANTIGEN 1
(Babesia
divergens) 		5 / 11 ILE A 248
ALA A 220
GLY A 221
GLU A 218
GLY A 136
 None
None
MPD  A1521 (-4.0A)
None
None
 1.24A 4e47A-4apmA:
undetectable		 4e47A-4apmA:
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.
4E47_B_SAMB800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4apm APICAL MEMBRANE
ANTIGEN 1
(Babesia
divergens) 		5 / 11 ILE A 248
ALA A 220
GLY A 221
GLU A 218
GLY A 136
 None
None
MPD  A1521 (-4.0A)
None
None
 1.24A 4e47B-4apmA:
undetectable		 4e47B-4apmA:
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.
4E47_C_SAMC800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4apm APICAL MEMBRANE
ANTIGEN 1
(Babesia
divergens) 		5 / 11 ILE A 248
ALA A 220
GLY A 221
GLU A 218
GLY A 136
 None
None
MPD  A1521 (-4.0A)
None
None
 1.27A 4e47C-4apmA:
undetectable		 4e47C-4apmA:
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.
4EJ1_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6ek7 YAXA
(Yersinia
enterocolitica) 		5 / 12 ILE A 135
LEU A 368
PHE A 373
LEU A 176
ILE A 131
 MPD  A 503 ( 4.4A)
None
None
MPD  A 502 ( 4.3A)
None
 1.01A 4ej1A-6ek7A:
undetectable		 4ej1A-6ek7A:
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.
4EJJ_B_NCTB501_1
(CYTOCHROME P450 2A6)		 4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC
(Rattus
norvegicus) 		4 / 7 PHE E 247
VAL E 195
GLY E 207
THR E 376
 MPD  E 503 ( 4.1A)
None
None
None
 1.00A 4ejjB-4kprE:
undetectable		 4ejjB-4kprE:
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.
4EJW_A_SRYA2001_2
(TRANSCRIPTIONAL
REGULATOR TCAR)		 4ksi LEUCINE
AMINOPEPTIDASE 1,
CHLOROPLASTIC
(Solanum
lycopersicum) 		4 / 6 GLU A 242
ILE A 241
GLU A 566
VAL A 251
 None
None
None
MPD  A 613 ( 4.9A)
 0.98A 4ejwB-4ksiA:
undetectable		 4ejwB-4ksiA:
15.33
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.
4EM2_A_SALA502_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)		 3g0k PUTATIVE MEMBRANE
PROTEIN
(Novosphingobium
aromaticivorans) 		4 / 8 TYR A  18
THR A  84
VAL A  86
GLN A  68
 MPD  A 133 ( 4.9A)
None
None
MPD  A 134 (-3.4A)
 0.91A 4em2A-3g0kA:
undetectable		 4em2A-3g0kA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EYZ_A_CCSA109_0
(CELLULOSOME-RELATED
PROTEIN MODULE FROM
RUMINOCOCCUS
FLAVEFACIENS THAT
RESEMBLES
PAPAIN-LIKE CYSTEINE
PEPTIDASES)		 2g37 PROLINE
DEHYDROGENASE/DELTA-
1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE
(Thermus
thermophilus) 		4 / 8 PHE A 129
VAL A 130
ILE A  96
ALA A  48
 MPD  A 373 (-3.6A)
None
None
None
 1.02A 4eyzA-2g37A:
undetectable		 4eyzA-2g37A:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		 4w5z CHITINASE 60
(Moritella
marina) 		3 / 3 ARG A  44
TYR A 284
ASN A 221
 None
None
MPD  A 402 ( 4.6A)
 0.61A 4ffwB-4w5zA:
undetectable		 4ffwB-4w5zA:
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.
4G24_A_ACAA1004_1
(PENTATRICOPEPTIDE
REPEAT-CONTAINING
PROTEIN AT2G32230,
MITOCHONDRIAL)		 5iet BACTERIAL PROTEASOME
ACTIVATOR
(Mycobacterium
tuberculosis) 		4 / 6 ALA B 118
LEU B 122
VAL B 123
GLU B  59
 None
None
MPD  B 205 ( 3.9A)
None
 1.03A 4g24A-5ietB:
undetectable		 4g24A-5ietB:
14.89
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.
4HTF_A_SAMA301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 3a77 INTERFERON
REGULATORY FACTOR 3
(Homo
sapiens) 		6 / 12 GLY A 271
GLY A 270
GLY A 269
LEU A 228
ALA A 273
VAL A 311
 None
None
None
None
MPD  A3002 (-3.6A)
None
 1.34A 4htfA-3a77A:
undetectable		 4htfA-3a77A:
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.
4HTF_B_SAMB301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 3a77 INTERFERON
REGULATORY FACTOR 3
(Homo
sapiens) 		6 / 12 GLY A 271
GLY A 270
GLY A 269
LEU A 228
ALA A 273
VAL A 311
 None
None
None
None
MPD  A3002 (-3.6A)
None
 1.33A 4htfB-3a77A:
undetectable		 4htfB-3a77A:
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.
4HYT_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 2bo9 HUMAN LATEXIN
(Homo
sapiens) 		4 / 5 PRO B  99
ASP B 103
ILE B  62
VAL B 142
 None
None
MPD  B 303 ( 4.8A)
None
 1.35A 4hytA-2bo9B:
undetectable		 4hytA-2bo9B:
11.81
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.
4I00_A_ZMRA509_2
(NEURAMINIDASE)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		4 / 5 LEU A 202
ARG A 204
ILE A 277
ASN A 395
 MPD  A2001 ( 4.8A)
MPD  A2001 (-3.4A)
None
None
 1.34A 4i00A-3afoA:
undetectable		 4i00A-3afoA:
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.
4I13_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6ek7 YAXA
(Yersinia
enterocolitica) 		5 / 12 ILE A 135
LEU A 368
PHE A 373
LEU A 176
ILE A 131
 MPD  A 503 ( 4.4A)
None
None
MPD  A 502 ( 4.3A)
None
 1.00A 4i13A-6ek7A:
undetectable		 4i13A-6ek7A:
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.
4J26_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		 1wz8 ENOYL-COA HYDRATASE
(Thermus
thermophilus) 		5 / 12 LEU A  75
GLU A  78
ARG A  88
GLY A 242
LEU A 248
 MPD  A3003 (-4.7A)
None
None
None
None
 1.26A 4j26A-1wz8A:
undetectable		 4j26A-1wz8A:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J5J_B_478B401_2
(PROTEASE)		 3in6 FMN-BINDING PROTEIN
(Syntrophomonas
wolfei) 		5 / 10 ILE A 139
GLY A  55
ILE A  54
VAL A  99
VAL A  97
 MPD  A 149 (-4.0A)
None
None
None
None
 1.09A 4j5jB-3in6A:
undetectable		 4j5jB-3in6A:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J6C_A_STRA501_1
(CYTOCHROME P450
MONOOXYGENASE)		 5ez3 ACYL-COA
DEHYDROGENASE
(Brucella
melitensis) 		5 / 11 ALA A 373
ALA A 369
ALA A 383
THR A 387
LEU A 305
 MPD  A 602 ( 4.7A)
None
MPD  A 602 ( 3.9A)
None
MPD  A 602 ( 4.9A)
 1.15A 4j6cA-5ez3A:
0.7		 4j6cA-5ez3A:
25.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J6C_B_STRB503_1
(CYTOCHROME P450
MONOOXYGENASE)		 5ez3 ACYL-COA
DEHYDROGENASE
(Brucella
melitensis) 		5 / 10 ALA A 373
ALA A 369
ALA A 383
THR A 387
LEU A 305
 MPD  A 602 ( 4.7A)
None
MPD  A 602 ( 3.9A)
None
MPD  A 602 ( 4.9A)
 1.14A 4j6cB-5ez3A:
undetectable		 4j6cB-5ez3A:
25.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J6D_A_TESA503_1
(CYTOCHROME P450
MONOOXYGENASE)		 5ez3 ACYL-COA
DEHYDROGENASE
(Brucella
melitensis) 		5 / 12 ALA A 373
ALA A 369
ALA A 383
THR A 387
LEU A 305
 MPD  A 602 ( 4.7A)
None
MPD  A 602 ( 3.9A)
None
MPD  A 602 ( 4.9A)
 1.12A 4j6dA-5ez3A:
undetectable		 4j6dA-5ez3A:
25.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J6D_B_TESB502_1
(CYTOCHROME P450
MONOOXYGENASE)		 5ez3 ACYL-COA
DEHYDROGENASE
(Brucella
melitensis) 		5 / 12 ALA A 373
ALA A 369
ALA A 383
THR A 387
LEU A 305
 MPD  A 602 ( 4.7A)
None
MPD  A 602 ( 3.9A)
None
MPD  A 602 ( 4.9A)
 1.13A 4j6dB-5ez3A:
undetectable		 4j6dB-5ez3A:
25.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JBT_B_ASDB502_1
(CYTOCHROME P450
MONOOXYGENASE)		 5ez3 ACYL-COA
DEHYDROGENASE
(Brucella
melitensis) 		5 / 11 ALA A 373
ALA A 369
ALA A 383
THR A 387
LEU A 305
 MPD  A 602 ( 4.7A)
None
MPD  A 602 ( 3.9A)
None
MPD  A 602 ( 4.9A)
 1.14A 4jbtB-5ez3A:
undetectable		 4jbtB-5ez3A:
25.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JDS_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4apm APICAL MEMBRANE
ANTIGEN 1
(Babesia
divergens) 		5 / 11 ILE A 248
ALA A 220
GLY A 221
GLU A 218
GLY A 136
 None
None
MPD  A1521 (-4.0A)
None
None
 1.25A 4jdsA-4apmA:
undetectable		 4jdsA-4apmA:
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.
4JDS_B_SAMB401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4apm APICAL MEMBRANE
ANTIGEN 1
(Babesia
divergens) 		5 / 11 ILE A 248
ALA A 220
GLY A 221
GLU A 218
GLY A 136
 None
None
MPD  A1521 (-4.0A)
None
None
 1.27A 4jdsB-4apmA:
undetectable		 4jdsB-4apmA:
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.
4JDS_C_SAMC401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4apm APICAL MEMBRANE
ANTIGEN 1
(Babesia
divergens) 		5 / 11 ILE A 248
ALA A 220
GLY A 221
GLU A 218
GLY A 136
 None
None
MPD  A1521 (-4.0A)
None
None
 1.26A 4jdsC-4apmA:
undetectable		 4jdsC-4apmA:
19.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K5J_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 SER A 102
VAL A 104
ARG A 365
TRP A 447
 None
MPD  A 605 (-4.7A)
MPD  A 605 ( 4.7A)
MPD  A 605 ( 4.0A)
 0.35A 4k5jA-1m9qA:
62.6
4k5jB-1m9qA:
62.7		 4k5jA-1m9qA:
95.17
4k5jB-1m9qA:
95.17
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.
4K8P_A_ADNA401_1
(SUGAR KINASE)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		6 / 12 GLY A 245
ASN A  80
THR A 290
LEU A 288
GLU A  83
THR A 183
 None
None
None
None
MPD  A   1 (-2.7A)
None
 1.48A 4k8pA-2d4wA:
undetectable		 4k8pA-2d4wA:
23.92
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.
4K8P_B_ADNB401_1
(SUGAR KINASE)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		6 / 12 GLY A 245
ASN A  80
THR A 290
LEU A 288
GLU A  83
THR A 183
 None
None
None
None
MPD  A   1 (-2.7A)
None
 1.48A 4k8pB-2d4wA:
undetectable		 4k8pB-2d4wA:
23.92
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.
4K8T_A_ADNA401_1
(SUGAR KINASE)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		6 / 12 GLY A 245
ASN A  80
THR A 290
LEU A 288
GLU A  83
THR A 183
 None
None
None
None
MPD  A   1 (-2.7A)
None
 1.47A 4k8tA-2d4wA:
undetectable		 4k8tA-2d4wA:
23.92
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.
4K8T_B_ADNB401_1
(SUGAR KINASE)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		6 / 12 GLY A 245
ASN A  80
THR A 290
LEU A 288
GLU A  83
THR A 183
 None
None
None
None
MPD  A   1 (-2.7A)
None
 1.48A 4k8tB-2d4wA:
undetectable		 4k8tB-2d4wA:
23.92
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.
4K93_A_ADNA401_1
(SUGAR KINASE)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		6 / 12 GLY A 245
ASN A  80
THR A 290
LEU A 288
GLU A  83
THR A 183
 None
None
None
None
MPD  A   1 (-2.7A)
None
 1.48A 4k93A-2d4wA:
undetectable		 4k93A-2d4wA:
23.92
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.
4K93_B_ADNB402_1
(SUGAR KINASE)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		6 / 12 GLY A 245
ASN A  80
THR A 290
LEU A 288
GLU A  83
THR A 183
 None
None
None
None
MPD  A   1 (-2.7A)
None
 1.48A 4k93B-2d4wA:
undetectable		 4k93B-2d4wA:
23.92
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.
4K9C_A_ADNA401_1
(SUGAR KINASE)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		6 / 12 GLY A 245
ASN A  80
THR A 290
LEU A 288
GLU A  83
THR A 183
 None
None
None
None
MPD  A   1 (-2.7A)
None
 1.47A 4k9cA-2d4wA:
undetectable		 4k9cA-2d4wA:
23.92
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.
4K9I_A_ADNA401_1
(SUGAR KINASE)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		6 / 12 GLY A 245
ASN A  80
THR A 290
LEU A 288
GLU A  83
THR A 183
 None
None
None
None
MPD  A   1 (-2.7A)
None
 1.47A 4k9iA-2d4wA:
undetectable		 4k9iA-2d4wA:
23.92
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.
4K9I_B_ADNB401_1
(SUGAR KINASE)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		6 / 12 GLY A 245
ASN A  80
THR A 290
LEU A 288
GLU A  83
THR A 183
 None
None
None
None
MPD  A   1 (-2.7A)
None
 1.48A 4k9iB-2d4wA:
undetectable		 4k9iB-2d4wA:
23.92
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.
4KAD_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		6 / 12 GLY A 245
ASN A  80
THR A 290
LEU A 288
GLU A  83
THR A 183
 None
None
None
None
MPD  A   1 (-2.7A)
None
 1.47A 4kadA-2d4wA:
undetectable		 4kadA-2d4wA:
23.92
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.
4KAD_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		6 / 12 GLY A 245
ASN A  80
THR A 290
LEU A 288
GLU A  83
THR A 183
 None
None
None
None
MPD  A   1 (-2.7A)
None
 1.47A 4kadB-2d4wA:
undetectable		 4kadB-2d4wA:
23.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KCN_A_ACTA803_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		5 / 6 GLY A 186
ILE A 188
GLN A 189
TRP A 356
VAL A 418
 MPD  A 604 (-3.8A)
None
None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
 0.13A 4kcnA-1m9qA:
59.8		 4kcnA-1m9qA:
64.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KCN_A_ACTA803_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		5 / 6 ILE A 188
GLN A 189
TRP A 356
VAL A 418
SER A 426
 None
None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
MPD  A 604 (-3.1A)
 0.64A 4kcnA-1m9qA:
59.8		 4kcnA-1m9qA:
64.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCN_A_ACTA803_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5e44 FNR REGULATOR
(Aliivibrio
fischeri) 		4 / 6 GLY A 153
ILE A 151
GLN A 155
SER A 148
 MPD  A 302 (-4.0A)
None
None
None
 0.91A 4kcnA-5e44A:
undetectable		 4kcnA-5e44A:
21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KCN_A_MTLA804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 6 ARG A 250
ARG A 365
ASP A 369
ARG A 372
 None
MPD  A 605 ( 4.7A)
None
None
 0.44A 4kcnA-1m9qA:
59.8		 4kcnA-1m9qA:
64.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KCN_B_ACTB804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 4 GLY A 186
GLN A 189
TRP A 356
VAL A 418
 MPD  A 604 (-3.8A)
None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
 0.19A 4kcnB-1m9qA:
59.1		 4kcnB-1m9qA:
64.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KCN_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 6 ARG A 250
ARG A 365
ASP A 369
ARG A 372
 None
MPD  A 605 ( 4.7A)
None
None
 0.42A 4kcnB-1m9qA:
59.1		 4kcnB-1m9qA:
64.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KF9_A_ACTA408_0
(GLUTATHIONE
S-TRANSFERASE
PROTEIN)		 4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN
(Lactobacillus
acidophilus) 		4 / 6 TYR A 200
THR A 505
ARG A  81
PHE A  87
 None
None
MPD  A 605 ( 4.1A)
None
 1.42A 4kf9A-4ia5A:
undetectable		 4kf9A-4ia5A:
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.
4KIC_B_SAMB401_1
(METHYLTRANSFERASE
MPPJ)		 2vmx SERINE
HYDROXYMETHYLTRANSFE
RASE
(Geobacillus
stearothermophil
us) 		3 / 3 ARG A 176
ASP A 144
ASP A 153
 None
None
MPD  A 701 ( 4.5A)
 0.64A 4kicB-2vmxA:
2.6		 4kicB-2vmxA:
24.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L4B_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 1kwg BETA-GALACTOSIDASE
(Thermus
thermophilus) 		4 / 8 THR A 247
LEU A 424
VAL A 427
VAL A 443
 None
MPD  A 802 ( 4.4A)
None
None
 0.92A 4l4bA-1kwgA:
0.0		 4l4bA-1kwgA:
21.90
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.
4L4C_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 3wkq NITRITE REDUCTASE
(Geobacillus
thermodenitrific
ans) 		4 / 8 LEU A  73
VAL A 151
VAL A 278
ILE A 232
 MPD  A 419 ( 4.7A)
None
None
None
 0.94A 4l4cB-3wkqA:
undetectable		 4l4cB-3wkqA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L78_A_ACTA1327_0
(PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE)		 4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC
(Rattus
norvegicus) 		4 / 4 VAL E 318
THR E 319
GLU E 322
GLU E 321
 MPD  E 504 (-4.7A)
MPD  E 504 (-4.8A)
None
None
 1.27A 4l78A-4kprE:
undetectable		 4l78A-4kprE:
17.03
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.
4L8W_G_MTXG301_1
(GAMMA-GLUTAMYL
HYDROLASE)		 4v2p KETOSYNTHASE
(Myxococcus
fulvus) 		5 / 9 GLY A 323
GLY A 321
CYH A 121
LEU A 122
GLN A 265
 MPD  A1339 ( 4.4A)
None
MPD  A1339 (-4.2A)
None
None
 1.29A 4l8wG-4v2pA:
undetectable		 4l8wG-4v2pA:
22.70
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.
4LBX_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		6 / 12 GLY A 245
ASN A  80
THR A 290
LEU A 288
GLU A  83
THR A 183
 None
None
None
None
MPD  A   1 (-2.7A)
None
 1.46A 4lbxA-2d4wA:
undetectable		 4lbxA-2d4wA:
23.92
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.
4LBX_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		6 / 12 GLY A 245
ASN A  80
THR A 290
LEU A 288
GLU A  83
THR A 183
 None
None
None
None
MPD  A   1 (-2.7A)
None
 1.46A 4lbxB-2d4wA:
undetectable		 4lbxB-2d4wA:
23.92
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.
4LC4_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		6 / 12 GLY A 245
ASN A  80
THR A 290
LEU A 288
GLU A  83
THR A 183
 None
None
None
None
MPD  A   1 (-2.7A)
None
 1.47A 4lc4B-2d4wA:
undetectable		 4lc4B-2d4wA:
23.92
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.
4LMN_A_EUIA503_1
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 5kqi CATALASE-PEROXIDASE
(Burkholderia
pseudomallei) 		6 / 12 LEU A 168
LEU A 152
ILE A 155
PHE A 106
GLY A 173
LEU A 171
 None
None
MPD  A 807 ( 4.9A)
None
None
None
 1.15A 4lmnA-5kqiA:
undetectable		 4lmnA-5kqiA:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LTW_A_486A302_1
(ANCESTRAL STEROID
RECEPTOR 2)		 2w48 SORBITOL OPERON
REGULATOR
(Klebsiella
pneumoniae) 		5 / 12 LEU A 179
ILE A 143
MET A 269
GLU A 268
ILE A 267
 MPD  A1317 (-3.9A)
None
None
None
None
 0.97A 4ltwA-2w48A:
undetectable		 4ltwA-2w48A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MBS_B_MRVB1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)		 2qe6 UNCHARACTERIZED
PROTEIN TFU_2867
(Thermobifida
fusca) 		4 / 5 TYR A  26
THR A 129
LEU A 123
MET A 114
 SAM  A 400 ( 3.8A)
None
MPD  A 403 (-4.2A)
None
 1.21A 4mbsB-2qe6A:
undetectable		 4mbsB-2qe6A:
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		 2po2 PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2
(Pyrococcus
abyssi) 		4 / 8 SER B 232
SER B 117
ILE B 158
GLU B 227
 None
None
None
MPD  B 280 (-4.1A)
 1.30A 4ms4A-2po2B:
undetectable		 4ms4A-2po2B:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MUB_A_OAQA302_0
(SULFOTRANSFERASE)		 4l8k PUTATIVE PEPTIDASE
(Parabacteroides
merdae) 		5 / 12 MET A 180
PHE A 146
VAL A 249
GLY A 265
THR A 263
 MPD  A 403 ( 4.2A)
None
None
None
None
 1.20A 4mubA-4l8kA:
undetectable		 4mubA-4l8kA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_C_ADNC401_2
(ADENOSINE KINASE)		 6dus TYPE III SECRETION
SYSTEM EFFECTOR
PROTEIN
(Salmonella
enterica) 		4 / 5 LEU A 329
SER A 327
LEU A 230
ASN A  78
 MPD  A 507 ( 4.7A)
MG  A 503 ( 2.2A)
MPD  A 507 (-4.9A)
None
 1.07A 4n09C-6dusA:
undetectable		 4n09C-6dusA:
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.
4O1E_A_C2FA3000_1
(DIHYDROPTEROATE
SYNTHASE DHPS)		 5w8u ORF1AB PROTEIN
(Middle
East
respiratory
syndrome-related
coronavirus) 		3 / 3 LYS A  87
ASN A 110
ASP A 147
 MPD  A 405 (-3.1A)
None
MPD  A 405 ( 4.4A)
 0.86A 4o1eA-5w8uA:
undetectable		 4o1eA-5w8uA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1Z_A_MXMA807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 2a8x DIHYDROLIPOYL
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 VAL A  97
ILE A  31
GLY A  15
ALA A  11
LEU A  42
 MPD  A 590 ( 4.6A)
None
None
None
None
 0.92A 4o1zA-2a8xA:
undetectable		 4o1zA-2a8xA:
21.69
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.
4OAD_A_CLMA206_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 3w5n PUTATIVE
RHAMNOSIDASE
(Streptomyces
avermitilis) 		4 / 4 ALA A 768
ALA A 771
ALA A 772
ALA A 775
 None
None
MPD  A1209 (-2.9A)
None
 0.10A 4oadA-3w5nA:
undetectable		 4oadA-3w5nA:
10.68
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.
4OAE_A_CLMA208_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 3w5n PUTATIVE
RHAMNOSIDASE
(Streptomyces
avermitilis) 		4 / 4 ALA A 768
ALA A 771
ALA A 772
ALA A 775
 None
None
MPD  A1209 (-2.9A)
None
 0.08A 4oaeA-3w5nA:
undetectable		 4oaeA-3w5nA:
10.68
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.
4OKB_A_198A1002_2
(ANDROGEN RECEPTOR)		 1ztc HYPOTHETICAL PROTEIN
TM0894
(Thermotoga
maritima) 		4 / 6 LEU A  66
MET A   1
LEU A 149
VAL A 189
 None
None
None
MPD  A 304 (-4.5A)
 1.16A 4okbA-1ztcA:
undetectable		 4okbA-1ztcA:
21.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OKN_B_KANB403_1
(L-LACTATE
DEHYDROGENASE A
CHAIN)		 4m1q L-LACTATE
DEHYDROGENASE
([Bacillus]
selenitireducens) 		5 / 9 ASP A  37
TYR A  67
ALA A  80
ILE A 100
ILE A 104
 None
None
MPD  A 404 ( 4.2A)
MPD  A 404 (-3.4A)
None
 0.52A 4oknB-4m1qA:
42.5		 4oknB-4m1qA:
37.86
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.
4P66_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3a1z HEMOLYMPH JUVENILE
HORMONE BINDING
PROTEIN
(Bombyx
mori) 		5 / 11 ILE A  60
ALA A  52
LEU A 185
LEU A 169
ILE A 103
 MPD  A 232 ( 4.4A)
None
None
None
None
 1.08A 4p66A-3a1zA:
undetectable		 4p66A-3a1zA:
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.
4P7N_A_GCSA702_1
(POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE)		 2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE
(Bifidobacterium
longum) 		3 / 3 ASP A 789
TYR A 787
TRP A 823
 None
None
MPD  A1696 (-4.1A)
 1.43A 4p7nA-2zxqA:
2.6		 4p7nA-2zxqA:
13.97
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.
4QVV_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 2zbt PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermus
thermophilus) 		4 / 8 THR A 151
GLY A 216
GLY A 217
VAL A 160
 None
MPD  A 903 (-3.6A)
None
None
 0.83A 4qvvK-2zbtA:
undetectable
4qvvL-2zbtA:
undetectable		 4qvvK-2zbtA:
23.86
4qvvL-2zbtA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVV_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 2zbt PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermus
thermophilus) 		4 / 8 THR A 151
GLY A 216
GLY A 217
VAL A 160
 None
MPD  A 903 (-3.6A)
None
None
 0.82A 4qvvY-2zbtA:
undetectable
4qvvZ-2zbtA:
undetectable		 4qvvY-2zbtA:
23.86
4qvvZ-2zbtA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QZU_D_ACTD201_0
(RETINOL-BINDING
PROTEIN 2)		 4y0e PUTATIVE DIOXYGENASE
(Mycobacteroides
abscessus) 		3 / 3 ASP A 256
HIS A 200
LYS A 115
 MPD  A 402 (-3.5A)
MPD  A 402 (-4.5A)
MPD  A 402 (-3.3A)
 0.95A 4qzuD-4y0eA:
undetectable		 4qzuD-4y0eA:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R87_J_SPMJ202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 2vy0 ENDO-BETA-1,3-GLUCAN
ASE
(Pyrococcus
furiosus) 		4 / 7 MET A 174
GLU A 175
GLU A  83
ARG A 122
 None
MPD  A1299 (-3.4A)
MPD  A1299 (-4.2A)
MPD  A1299 (-3.7A)
 1.32A 4r87J-2vy0A:
undetectable
4r87L-2vy0A:
undetectable		 4r87J-2vy0A:
18.94
4r87L-2vy0A:
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.
4RTM_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 6eic MYCOBACTERIUM
TUBERCULOSIS
MONOGLYCERIDE LIPASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY C 112
GLY C 114
ALA C 136
ILE C 171
SER C 172
 None
None
SO4  C 301 ( 4.0A)
MPD  C 302 ( 4.6A)
None
 0.94A 4rtmA-6eicC:
2.4		 4rtmA-6eicC:
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.
4RTR_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 2obe HEXON
(Human
mastadenovirus
E) 		5 / 11 GLY A 672
PHE A 679
ASP A 568
TYR A 681
PRO A 669
 None
None
None
MPD  A1704 ( 4.7A)
None
 1.33A 4rtrA-2obeA:
undetectable		 4rtrA-2obeA:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RTR_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 2obe HEXON
(Human
mastadenovirus
E) 		5 / 11 GLY A 672
PHE A 679
TYR A 681
ASP A 676
PRO A 669
 None
None
MPD  A1704 ( 4.7A)
None
None
 1.32A 4rtrA-2obeA:
undetectable		 4rtrA-2obeA:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TVT_A_ASCA301_0
(THAUMATIN-1)		 3cmg PUTATIVE
BETA-GALACTOSIDASE
(Bacteroides
fragilis) 		3 / 3 THR A 185
ASN A 219
SER A 218
 MPD  A 801 ( 3.8A)
MPD  A 801 ( 3.9A)
None
 0.69A 4tvtA-3cmgA:
undetectable		 4tvtA-3cmgA:
15.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		 4l8k PUTATIVE PEPTIDASE
(Parabacteroides
merdae) 		5 / 12 GLY A 265
GLY A 266
ASN A 244
PHE A  43
ASP A 245
 None
PO4  A 401 (-3.3A)
None
None
MPD  A 403 (-4.0A)
 1.26A 4ubeA-4l8kA:
undetectable		 4ubeA-4l8kA:
24.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UCH_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 8 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.19A 4uchA-1m9qA:
58.8
4uchB-1m9qA:
59.3		 4uchA-1m9qA:
65.64
4uchB-1m9qA:
65.64
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.
4UCI_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 4wgx MOLINATE HYDROLASE
(Gulosibacter
molinativorax) 		5 / 12 THR A 341
GLY A 391
GLY A  65
ASN A  66
LEU A 389
 None
None
None
MPD  A 502 ( 4.7A)
None
 0.98A 4uciA-4wgxA:
undetectable		 4uciA-4wgxA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCI_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 4wgx MOLINATE HYDROLASE
(Gulosibacter
molinativorax) 		5 / 12 THR A 341
GLY A 391
GLY A  65
ASN A  66
LEU A 389
 None
None
None
MPD  A 502 ( 4.7A)
None
 0.98A 4uciB-4wgxA:
undetectable		 4uciB-4wgxA:
21.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V3W_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.17A 4v3wA-1m9qA:
59.3
4v3wB-1m9qA:
58.9		 4v3wA-1m9qA:
64.72
4v3wB-1m9qA:
64.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WG0_B_CHDB102_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 5e1r 7S VICILIN
(Carya
illinoinensis) 		5 / 11 LEU A 710
LEU A 712
LEU A 686
GLU A 649
ALA A 701
 None
MPD  A 802 ( 4.5A)
None
None
None
 1.02A 4wg0B-5e1rA:
undetectable
4wg0C-5e1rA:
undetectable
4wg0D-5e1rA:
undetectable		 4wg0B-5e1rA:
2.12
4wg0C-5e1rA:
2.12
4wg0D-5e1rA:
2.12
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.
4WG0_F_CHDF103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 5e1r 7S VICILIN
(Carya
illinoinensis) 		5 / 11 LEU A 710
LEU A 712
LEU A 686
GLU A 649
ALA A 701
 None
MPD  A 802 ( 4.5A)
None
None
None
 1.04A 4wg0F-5e1rA:
undetectable
4wg0G-5e1rA:
undetectable
4wg0H-5e1rA:
undetectable		 4wg0F-5e1rA:
2.12
4wg0G-5e1rA:
2.12
4wg0H-5e1rA:
2.12
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.
4WG0_J_CHDJ103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 5e1r 7S VICILIN
(Carya
illinoinensis) 		5 / 11 LEU A 710
LEU A 712
LEU A 686
GLU A 649
ALA A 701
 None
MPD  A 802 ( 4.5A)
None
None
None
 0.85A 4wg0J-5e1rA:
undetectable
4wg0K-5e1rA:
undetectable
4wg0L-5e1rA:
undetectable		 4wg0J-5e1rA:
2.12
4wg0K-5e1rA:
2.12
4wg0L-5e1rA:
2.12
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.
4WG0_K_CHDK103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 5e1r 7S VICILIN
(Carya
illinoinensis) 		5 / 11 GLU A 649
ALA A 701
LEU A 686
LEU A 710
LEU A 712
 None
None
None
None
MPD  A 802 ( 4.5A)
 0.85A 4wg0I-5e1rA:
undetectable
4wg0J-5e1rA:
undetectable
4wg0K-5e1rA:
undetectable		 4wg0I-5e1rA:
2.12
4wg0J-5e1rA:
2.12
4wg0K-5e1rA:
2.12
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.
4WNW_B_RTZB602_2
(CYTOCHROME P450 2D6)		 4y0e PUTATIVE DIOXYGENASE
(Mycobacteroides
abscessus) 		3 / 3 GLU A 202
ILE A 254
ALA A 259
 MPD  A 402 (-2.9A)
None
None
 0.43A 4wnwB-4y0eA:
undetectable		 4wnwB-4y0eA:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4x90 GROUP XV
PHOSPHOLIPASE A2
(Homo
sapiens) 		5 / 12 ILE A  61
ALA A 230
LEU A  14
ILE A 215
LEU A  49
 None
None
MPD  A 408 ( 4.6A)
MPD  A 411 (-3.8A)
None
 1.10A 4x5fA-4x90A:
undetectable		 4x5fA-4x90A:
18.16
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.
4X5F_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 4x90 GROUP XV
PHOSPHOLIPASE A2
(Homo
sapiens) 		5 / 12 ILE A  61
ALA A 230
LEU A  14
ILE A 215
LEU A  49
 None
None
MPD  A 408 ( 4.6A)
MPD  A 411 (-3.8A)
None
 1.09A 4x5fB-4x90A:
undetectable		 4x5fB-4x90A:
18.16
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.
4X5I_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6ek7 YAXA
(Yersinia
enterocolitica) 		5 / 12 ILE A 135
LEU A 368
PHE A 373
LEU A 176
ILE A 131
 MPD  A 503 ( 4.4A)
None
None
MPD  A 502 ( 4.3A)
None
 0.90A 4x5iA-6ek7A:
undetectable		 4x5iA-6ek7A:
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.
4X5I_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 4wgx MOLINATE HYDROLASE
(Gulosibacter
molinativorax) 		3 / 3 ASP A 312
ARG A  78
ARG A 156
 None
None
MPD  A 501 ( 4.2A)
 0.94A 4x5iA-4wgxA:
undetectable		 4x5iA-4wgxA:
17.48
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.
4XDR_A_ADNA402_1
(FAD:PROTEIN FMN
TRANSFERASE)		 5gtq LUCIFERIN
REGENERATING ENZYME
(Photinus
pyralis) 		5 / 12 PHE A 227
GLY A 273
ALA A 272
ILE A 249
THR A 255
 MPD  A 405 (-3.6A)
None
None
None
None
 0.92A 4xdrA-5gtqA:
undetectable		 4xdrA-5gtqA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XE5_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 2pnz PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1
(Pyrococcus
abyssi) 		5 / 12 ASP A  12
GLY A 183
GLU A 211
ILE A 171
ASP A  19
 None
MPD  A 251 (-4.5A)
None
None
None
 1.21A 4xe5A-2pnzA:
undetectable		 4xe5A-2pnzA:
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.
4XP9_C_1WEC706_1
(TRANSPORTER)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		4 / 4 PHE A  30
ASP A 112
GLY A  72
SER A  69
 None
None
MPD  A 401 ( 4.6A)
None
 1.33A 4xp9C-4uriA:
undetectable		 4xp9C-4uriA:
23.15
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.
4XT8_A_TMQA302_1
(RV2671)		 1wz8 ENOYL-COA HYDRATASE
(Thermus
thermophilus) 		5 / 12 ILE A  76
SER A  72
GLY A  71
ARG A  88
GLU A  78
 MPD  A3003 ( 4.9A)
None
MPD  A3003 ( 4.1A)
None
None
 1.08A 4xt8A-1wz8A:
undetectable		 4xt8A-1wz8A:
25.91
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.
4XUC_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 4wgx MOLINATE HYDROLASE
(Gulosibacter
molinativorax) 		5 / 12 VAL A  94
GLY A 344
ILE A  73
GLN A 298
HIS A  68
 None
None
MPD  A 502 (-4.4A)
None
MPD  A 502 (-3.7A)
 1.41A 4xucA-4wgxA:
undetectable		 4xucA-4wgxA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUD_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 4wgx MOLINATE HYDROLASE
(Gulosibacter
molinativorax) 		5 / 12 VAL A  94
GLY A 344
ILE A  73
GLN A 298
HIS A  68
 None
None
MPD  A 502 (-4.4A)
None
MPD  A 502 (-3.7A)
 1.39A 4xudA-4wgxA:
undetectable		 4xudA-4wgxA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y1D_D_DVAD5_0
(CYCLIC HEXAPEPTIDE
CYC[NDPOPPKID]
INTEGRASE)		 4n11 GLUTAREDOXIN
(Plasmodium
falciparum) 		3 / 3 GLU A  17
LYS A  82
ASN A  13
 MPD  A 202 (-3.8A)
None
MPD  A 202 (-4.1A)
 0.99A 4y1dA-4n11A:
undetectable
4y1dD-4n11A:
undetectable		 4y1dA-4n11A:
20.71
4y1dD-4n11A:
50.00
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.
4Z4I_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		3 / 3 VAL A 182
ALA A 155
PHE A 315
 None
MPD  A 401 (-3.4A)
None
 0.85A 4z4iA-4uriA:
2.3		 4z4iA-4uriA:
17.03
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.
4Z7F_A_FOLA201_0
(FOLATE ECF
TRANSPORTER)		 1hx6 MAJOR CAPSID PROTEIN
(Salmonella
virus
PRD1) 		5 / 12 TYR A 379
PHE A 380
THR A 381
ASN A  24
ARG A  28
 None
None
MPD  A 501 ( 4.7A)
None
None
 1.37A 4z7fA-1hx6A:
0.0		 4z7fA-1hx6A:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z7F_B_FOLB201_0
(FOLATE ECF
TRANSPORTER)		 1hx6 MAJOR CAPSID PROTEIN
(Salmonella
virus
PRD1) 		5 / 12 TYR A 379
PHE A 380
THR A 381
ASN A  24
ARG A  28
 None
None
MPD  A 501 ( 4.7A)
None
None
 1.34A 4z7fB-1hx6A:
0.0		 4z7fB-1hx6A:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z90_F_4LEF401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3ch4 PHOSPHOMEVALONATE
KINASE
(Homo
sapiens) 		4 / 8 LEU B 105
LEU B 184
THR B  26
LEU B  29
 None
MPD  B 204 ( 4.3A)
None
None
 0.63A 4z90F-3ch4B:
undetectable
4z90G-3ch4B:
undetectable
4z90H-3ch4B:
undetectable
4z90I-3ch4B:
undetectable
4z90J-3ch4B:
undetectable		 4z90F-3ch4B:
18.63
4z90G-3ch4B:
18.63
4z90H-3ch4B:
18.63
4z90I-3ch4B:
18.63
4z90J-3ch4B:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJZ_B_BEZB601_0
(BENZOATE-COENZYME A
LIGASE)		 2e7z ACETYLENE HYDRATASE
AHY
(Pelobacter
acetylenicus) 		5 / 8 PRO A 470
PHE A 158
GLY A 328
ALA A 329
MET A 387
 None
MPD  A1005 (-4.5A)
None
None
None
 1.03A 4zjzB-2e7zA:
undetectable		 4zjzB-2e7zA:
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.
4ZZ8_A_GCSA208_1
(GLUCANASE/CHITOSANAS
E)		 4y0e PUTATIVE DIOXYGENASE
(Mycobacteroides
abscessus) 		4 / 7 GLU A 307
ARG A 258
ASP A 256
ALA A 116
 None
None
MPD  A 402 (-3.5A)
MPD  A 402 ( 4.6A)
 1.13A 4zz8A-4y0eA:
undetectable		 4zz8A-4y0eA:
19.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AD9_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 TRP A 445
PHE A 460
HIS A 461
GLU A 463
 MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
None
 0.27A 5ad9A-1m9qA:
59.2
5ad9B-1m9qA:
30.4		 5ad9A-1m9qA:
64.72
5ad9B-1m9qA:
64.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ADL_B_H4BB600_1
(ENDOTHELIAL NITRIC
OXIDE SYNTHASE)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 SER A 102
VAL A 104
ARG A 365
TRP A 447
 None
MPD  A 605 (-4.7A)
MPD  A 605 ( 4.7A)
MPD  A 605 ( 4.0A)
 0.32A 5adlA-1m9qA:
62.0
5adlB-1m9qA:
14.2		 5adlA-1m9qA:
95.17
5adlB-1m9qA:
95.17
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.
5AMK_A_EF2A151_1
(CEREBLON ISOFORM 4)		 1s44 CRUSTACYANIN A1
SUBUNIT
(Homarus
gammarus) 		4 / 8 ASN A  43
PRO A  44
PHE A 134
PHE A   6
 MPD  A 482 (-3.3A)
None
MPD  A 481 ( 3.8A)
None
 1.05A 5amkA-1s44A:
0.0		 5amkA-1s44A:
19.89
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.
5AMK_A_EF2A151_1
(CEREBLON ISOFORM 4)		 2cc3 PROTEIN VIRB8
(Agrobacterium
tumefaciens) 		4 / 8 ASN A 213
PRO A 214
PHE A 127
TYR A 119
 None
None
None
MPD  A1232 (-4.5A)
 1.47A 5amkA-2cc3A:
undetectable		 5amkA-2cc3A:
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.
5AMK_B_EF2B151_1
(CEREBLON ISOFORM 4)		 4w5z CHITINASE 60
(Moritella
marina) 		4 / 7 ASN A 314
PRO A  52
TRP A  40
TRP A 311
 None
None
CL  A 408 (-4.3A)
MPD  A 402 ( 3.4A)
 1.47A 5amkB-4w5zA:
undetectable		 5amkB-4w5zA:
15.65
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.
5AXA_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 6eic MYCOBACTERIUM
TUBERCULOSIS
MONOGLYCERIDE LIPASE
(Mycobacterium
tuberculosis) 		4 / 5 GLU C 277
THR C 276
HIS C 109
LEU C 221
 None
None
MPD  C 302 (-4.3A)
None
 1.25A 5axaA-6eicC:
undetectable		 5axaA-6eicC:
10.19
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.
5AXA_C_ADNC502_2
(ADENOSYLHOMOCYSTEINA
SE)		 6eic MYCOBACTERIUM
TUBERCULOSIS
MONOGLYCERIDE LIPASE
(Mycobacterium
tuberculosis) 		4 / 5 GLU C 277
THR C 276
HIS C 109
LEU C 221
 None
None
MPD  C 302 (-4.3A)
None
 1.25A 5axaC-6eicC:
3.0		 5axaC-6eicC:
10.19
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.
5AXD_A_RBVA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 6eic MYCOBACTERIUM
TUBERCULOSIS
MONOGLYCERIDE LIPASE
(Mycobacterium
tuberculosis) 		3 / 3 THR C   3
HIS C 109
LEU C  35
 None
MPD  C 302 (-4.3A)
None
 0.71A 5axdA-6eicC:
6.7		 5axdA-6eicC:
10.19
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.
5AYF_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4apm APICAL MEMBRANE
ANTIGEN 1
(Babesia
divergens) 		5 / 11 ILE A 248
ALA A 220
GLY A 221
GLU A 218
GLY A 136
 None
None
MPD  A1521 (-4.0A)
None
None
 1.29A 5ayfA-4apmA:
undetectable		 5ayfA-4apmA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 7 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.96A 5b1aP-3zhrA:
undetectable
5b1aW-3zhrA:
undetectable		 5b1aP-3zhrA:
14.22
5b1aW-3zhrA:
6.02
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.
5B3S_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 7 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.95A 5b3sC-3zhrA:
undetectable
5b3sJ-3zhrA:
undetectable		 5b3sC-3zhrA:
14.22
5b3sJ-3zhrA:
6.02
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.
5B3S_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 7 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.97A 5b3sP-3zhrA:
undetectable		 5b3sP-3zhrA:
14.22
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.
5B6I_B_ADNB302_1
(FLUORINASE)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 6 ASP A  79
THR A  78
TYR A  77
THR A  38
 None
None
MPD  A 759 (-3.9A)
None
 1.43A 5b6iB-2ww2A:
undetectable		 5b6iB-2ww2A:
19.52
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.
5BMV_C_VLBC507_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA-1B
CHAIN)		 4xb1 319AA LONG
HYPOTHETICAL
HOMOSERINE
DEHYDROGENASE
(Pyrococcus
horikoshii) 		4 / 6 ASP A 307
TYR A 101
PRO A 118
TYR A 123
 None
None
None
MPD  A1004 ( 4.8A)
 1.33A 5bmvB-4xb1A:
undetectable		 5bmvB-4xb1A:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BPH_A_ACTA403_0
(D-ALANINE--D-ALANINE
LIGASE)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 6 TYR A  75
GLY A  37
SER A 640
LEU A  35
 None
None
MPD  A 759 (-3.9A)
MPD  A 759 ( 4.0A)
 1.19A 5bphA-2ww2A:
undetectable		 5bphA-2ww2A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BPH_B_ACTB404_0
(D-ALANINE--D-ALANINE
LIGASE)		 3a14 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Thermotoga
maritima) 		4 / 7 LYS A 289
TYR A 290
GLY A 166
LEU A 168
 None
None
MPD  A 800 ( 4.8A)
None
 1.12A 5bphB-3a14A:
5.7		 5bphB-3a14A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BPH_C_ACTC403_0
(D-ALANINE--D-ALANINE
LIGASE)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 4 TYR A  75
GLY A  37
SER A 640
LEU A  35
 None
None
MPD  A 759 (-3.9A)
MPD  A 759 ( 4.0A)
 1.22A 5bphC-2ww2A:
undetectable		 5bphC-2ww2A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTI_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		4 / 5 SER A  52
ARG A 204
GLY A 379
THR A 262
 None
MPD  A2001 (-3.4A)
None
None
 1.21A 5btiC-3afoA:
undetectable
5btiD-3afoA:
2.7		 5btiC-3afoA:
21.02
5btiD-3afoA:
22.45
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.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		 4l8k PUTATIVE PEPTIDASE
(Parabacteroides
merdae) 		5 / 12 MET A 180
PHE A 146
VAL A 249
GLY A 265
THR A 263
 MPD  A 403 ( 4.2A)
None
None
None
None
 1.19A 5byjA-4l8kA:
undetectable		 5byjA-4l8kA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CDN_O_EVPO2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 1wz8 ENOYL-COA HYDRATASE
(Thermus
thermophilus) 		4 / 6 GLU A 249
GLY A 117
ASP A 150
GLY A 140
 None
None
MPD  A3003 (-4.3A)
None
 0.93A 5cdnC-1wz8A:
undetectable
5cdnD-1wz8A:
undetectable		 5cdnC-1wz8A:
22.66
5cdnD-1wz8A:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CDN_P_EVPP2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 1wz8 ENOYL-COA HYDRATASE
(Thermus
thermophilus) 		4 / 6 GLU A 249
GLY A 117
ASP A 150
GLY A 140
 None
None
MPD  A3003 (-4.3A)
None
 0.94A 5cdnT-1wz8A:
undetectable
5cdnU-1wz8A:
undetectable		 5cdnT-1wz8A:
22.66
5cdnU-1wz8A:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DV4_A_NMYA601_2
(CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT
6-LIKE)		 2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE
(Bifidobacterium
longum) 		3 / 3 GLU A 800
TRP A 823
ASN A 720
 None
MPD  A1696 (-4.1A)
None
 0.80A 5dv4A-2zxqA:
undetectable		 5dv4A-2zxqA:
14.23
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.
5DX3_A_ESTA601_1
(ESTROGEN RECEPTOR)		 1wz8 ENOYL-COA HYDRATASE
(Thermus
thermophilus) 		5 / 10 LEU A  75
GLU A  78
ARG A  88
GLY A 242
LEU A 248
 MPD  A3003 (-4.7A)
None
None
None
None
 1.26A 5dx3A-1wz8A:
undetectable		 5dx3A-1wz8A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DXG_B_ESTB601_1
(ESTROGEN RECEPTOR)		 1wz8 ENOYL-COA HYDRATASE
(Thermus
thermophilus) 		5 / 11 LEU A  75
GLU A  78
ARG A  88
GLY A 242
LEU A 248
 MPD  A3003 (-4.7A)
None
None
None
None
 1.26A 5dxgB-1wz8A:
undetectable		 5dxgB-1wz8A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_P_BEZP801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 6eic MYCOBACTERIUM
TUBERCULOSIS
MONOGLYCERIDE LIPASE
(Mycobacterium
tuberculosis) 		4 / 6 SER C 110
ALA C 136
HIS C 109
LEU C 228
 MPD  C 302 (-3.3A)
SO4  C 301 ( 4.0A)
MPD  C 302 (-4.3A)
SO4  C 301 ( 4.4A)
 0.99A 5dzkB-6eicC:
3.1
5dzkP-6eicC:
undetectable		 5dzkB-6eicC:
undetectable
5dzkP-6eicC:
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.
5DZK_R_BEZR801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 6eic MYCOBACTERIUM
TUBERCULOSIS
MONOGLYCERIDE LIPASE
(Mycobacterium
tuberculosis) 		4 / 7 SER C 110
ALA C 136
HIS C 109
LEU C 228
 MPD  C 302 (-3.3A)
SO4  C 301 ( 4.0A)
MPD  C 302 (-4.3A)
SO4  C 301 ( 4.4A)
 0.89A 5dzkD-6eicC:
2.4
5dzkR-6eicC:
undetectable		 5dzkD-6eicC:
undetectable
5dzkR-6eicC:
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.
5DZK_T_BEZT801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 6eic MYCOBACTERIUM
TUBERCULOSIS
MONOGLYCERIDE LIPASE
(Mycobacterium
tuberculosis) 		4 / 5 SER C 110
ALA C 136
HIS C 109
LEU C 228
 MPD  C 302 (-3.3A)
SO4  C 301 ( 4.0A)
MPD  C 302 (-4.3A)
SO4  C 301 ( 4.4A)
 0.97A 5dzkf-6eicC:
3.4
5dzkt-6eicC:
undetectable		 5dzkf-6eicC:
undetectable
5dzkt-6eicC:
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.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 5m8h ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT
(Psychrobacter
arcticus) 		5 / 12 THR A  78
GLN A 118
GLU A 122
GLY A 285
GLY A 306
 SR  A 401 (-3.4A)
MPD  A 407 (-4.2A)
None
MPD  A 406 ( 3.9A)
MPD  A 406 (-3.9A)
 1.00A 5e3iA-5m8hA:
24.9		 5e3iA-5m8hA:
25.58
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.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 5m8h ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT
(Psychrobacter
arcticus) 		5 / 11 THR A  78
GLN A 118
GLU A 122
GLY A 285
GLY A 306
 SR  A 401 (-3.4A)
MPD  A 407 (-4.2A)
None
MPD  A 406 ( 3.9A)
MPD  A 406 (-3.9A)
 0.97A 5e3iB-5m8hA:
25.2		 5e3iB-5m8hA:
25.58
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.
5E9Q_A_SAMA301_0
(GENOME POLYPROTEIN)		 2ehq 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE
(Thermus
thermophilus) 		6 / 12 GLY A 125
GLY A 319
GLY A 316
GLY A 361
GLU A 130
ASP A 293
 None
None
MPD  A1534 ( 4.2A)
None
None
None
 1.33A 5e9qA-2ehqA:
3.4		 5e9qA-2ehqA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E9Q_C_SAMC4000_0
(GENOME POLYPROTEIN)		 2ehq 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE
(Thermus
thermophilus) 		6 / 12 GLY A 125
GLY A 319
GLY A 316
GLY A 361
GLU A 130
ASP A 293
 None
None
MPD  A1534 ( 4.2A)
None
None
None
 1.40A 5e9qC-2ehqA:
3.4		 5e9qC-2ehqA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EIF_A_SAMA301_0
(GENOME POLYPROTEIN)		 2ehq 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE
(Thermus
thermophilus) 		6 / 12 GLY A 125
GLY A 319
GLY A 316
GLY A 361
GLU A 130
ASP A 293
 None
None
MPD  A1534 ( 4.2A)
None
None
None
 1.36A 5eifA-2ehqA:
undetectable		 5eifA-2ehqA:
19.50
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.
5EIF_C_SAMC4000_0
(GENOME POLYPROTEIN)		 2ehq 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE
(Thermus
thermophilus) 		6 / 12 GLY A 125
GLY A 319
GLY A 316
GLY A 361
GLU A 130
ASP A 293
 None
None
MPD  A1534 ( 4.2A)
None
None
None
 1.42A 5eifC-2ehqA:
undetectable		 5eifC-2ehqA:
19.50
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.
5EIW_C_SAMC4000_0
(NS5
METHYLTRANSFERASE)		 2ehq 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE
(Thermus
thermophilus) 		6 / 12 GLY A 125
GLY A 319
GLY A 316
GLY A 361
GLU A 130
ASP A 293
 None
None
MPD  A1534 ( 4.2A)
None
None
None
 1.40A 5eiwC-2ehqA:
undetectable		 5eiwC-2ehqA:
19.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FJ3_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 SER A 102
VAL A 104
ARG A 365
TRP A 447
 None
MPD  A 605 (-4.7A)
MPD  A 605 ( 4.7A)
MPD  A 605 ( 4.0A)
 0.30A 5fj3A-1m9qA:
62.7
5fj3B-1m9qA:
62.6		 5fj3A-1m9qA:
95.17
5fj3B-1m9qA:
95.17
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.
5G5G_C_ACTC1740_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT)		 1wz8 ENOYL-COA HYDRATASE
(Thermus
thermophilus) 		4 / 4 VAL A 146
GLU A 239
GLY A 242
LEU A 248
 None
MPD  A3003 (-3.2A)
None
None
 1.30A 5g5gC-1wz8A:
undetectable		 5g5gC-1wz8A:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GQB_A_GCSA603_1
(CHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		5 / 8 GLY A  73
GLU A 116
TYR A 185
ASP A 186
TRP A 317
 MPD  A 401 (-3.9A)
MPD  A 401 (-2.7A)
MPD  A 401 (-4.8A)
None
MPD  A 401 (-3.8A)
 1.13A 5gqbA-4uriA:
39.7		 5gqbA-4uriA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GQB_A_GCSA603_1
(CHITINASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		6 / 8 PHE A  30
GLY A  72
GLU A 116
TYR A 185
ASP A 186
TRP A 317
 None
MPD  A 401 ( 4.6A)
MPD  A 401 (-2.7A)
MPD  A 401 (-4.8A)
None
MPD  A 401 (-3.8A)
 0.59A 5gqbA-4uriA:
39.7		 5gqbA-4uriA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GQB_A_GCSA603_1
(CHITINASE)		 4w5z CHITINASE 60
(Moritella
marina) 		4 / 8 PHE A  70
GLY A 117
TYR A 220
TRP A 311
 None
None
ACT  A 404 (-4.6A)
MPD  A 402 ( 3.4A)
 0.52A 5gqbA-4w5zA:
9.9		 5gqbA-4w5zA:
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.
5HFJ_F_SAMF301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 5ajh CUTINASE
(Fusarium
oxysporum) 		5 / 12 ALA A 196
GLN A 122
PHE A 148
GLY A  42
SER A  43
 None
None
None
MPD  A1221 (-3.6A)
MPD  A1221 (-4.7A)
 1.27A 5hfjF-5ajhA:
2.4		 5hfjF-5ajhA:
19.76
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.
5HHJ_A_GLYA403_0
(RETRON-TYPE REVERSE
TRANSCRIPTASE)		 2fup HYPOTHETICAL PROTEIN
PA3352
(Pseudomonas
aeruginosa) 		4 / 4 LEU A  91
LEU A  77
GLY A  76
GLU A  75
 None
MPD  A 157 ( 4.4A)
None
None
 1.27A 5hhjA-2fupA:
undetectable		 5hhjA-2fupA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IH0_A_ERYA404_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 HIS A  72
ALA A 148
SER A 116
ILE A  90
PHE A 115
 None
None
None
MPD  A 509 (-3.9A)
None
 1.25A 5ih0A-2cunA:
undetectable		 5ih0A-2cunA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IWU_A_ERYA404_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 HIS A  72
ALA A 148
SER A 116
ILE A  90
PHE A 115
 None
None
None
MPD  A 509 (-3.9A)
None
 1.16A 5iwuA-2cunA:
undetectable		 5iwuA-2cunA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JH7_B_6K9B503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 1nvm ACETALDEHYDE
DEHYDROGENASE
(ACYLATING)
(Pseudomonas
sp.
CF600) 		4 / 7 VAL B  60
GLU B  61
ASN B 126
ILE B 108
 None
MPD  B3528 (-3.4A)
None
None
 1.03A 5jh7C-1nvmB:
2.9		 5jh7C-1nvmB:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		 5ez3 ACYL-COA
DEHYDROGENASE
(Brucella
melitensis) 		5 / 12 ALA A 152
LEU A 151
ALA A 149
THR A 145
THR A 304
 None
None
None
MRD  A 601 (-3.7A)
MPD  A 602 ( 4.6A)
 1.16A 5k9dA-5ez3A:
undetectable		 5k9dA-5ez3A:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KC0_A_RBFA303_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE
(Bifidobacterium
longum) 		5 / 12 ASP A1442
ASN A1273
ALA A1279
ASN A1255
PHE A1222
 MN  A   4 (-2.3A)
MPD  A1695 (-4.4A)
None
None
None
 1.35A 5kc0A-2zxqA:
0.0		 5kc0A-2zxqA:
8.21
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.
5KC4_A_RBFA201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE
(Bifidobacterium
longum) 		5 / 12 ASP A1442
ASN A1273
ALA A1279
ASN A1255
PHE A1222
 MN  A   4 (-2.3A)
MPD  A1695 (-4.4A)
None
None
None
 1.31A 5kc4A-2zxqA:
undetectable		 5kc4A-2zxqA:
8.28
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.
5KI6_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		 6bn1 SERINE/THREONINE-PRO
TEIN KINASE HIPPO
(Drosophila
melanogaster) 		4 / 5 ARG A 643
GLN A 644
PRO A 645
ILE A 646
 MPD  A 703 ( 3.7A)
MPD  A 703 (-4.1A)
None
None
 1.33A 5ki6A-6bn1A:
undetectable		 5ki6A-6bn1A:
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.
5KM9_B_ADNB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		 3r6f HIT FAMILY PROTEIN
(Encephalitozoon
cuniculi) 		5 / 12 ILE A   5
PHE A   6
ASP A  28
LEU A  38
VAL A  87
 None
MPD  A 134 ( 4.9A)
MPD  A 134 (-3.3A)
None
SO4  A 133 (-4.4A)
 0.58A 5km9B-3r6fA:
14.5		 5km9B-3r6fA:
22.89
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.
5KM9_B_ADNB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		 3r6f HIT FAMILY PROTEIN
(Encephalitozoon
cuniculi) 		6 / 12 PHE A   6
ASP A  28
LEU A  38
VAL A  87
HIS A  91
HIS A  93
 MPD  A 134 ( 4.9A)
MPD  A 134 (-3.3A)
None
SO4  A 133 (-4.4A)
SO4  A 133 (-3.6A)
SO4  A 133 (-4.3A)
 0.40A 5km9B-3r6fA:
14.5		 5km9B-3r6fA:
22.89
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.
5KQR_A_SAMA301_0
(METHYLTRANSFERASE)		 2ehq 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE
(Thermus
thermophilus) 		6 / 12 GLY A 125
GLY A 319
GLY A 316
GLY A 361
GLU A 130
ASP A 293
 None
None
MPD  A1534 ( 4.2A)
None
None
None
 1.30A 5kqrA-2ehqA:
3.3		 5kqrA-2ehqA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L6E_A_SAMA601_1
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 5huc 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE (DAHP)
SYNTHASE
(Corynebacterium
glutamicum) 		4 / 6 ASP A 263
ASP A 160
ARG A 181
ASN A 185
 None
None
MPD  A 504 ( 4.9A)
MPD  A 504 (-3.4A)
 1.01A 5l6eA-5hucA:
undetectable		 5l6eA-5hucA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L94_A_TESA502_1
(CYTOCHROME P450)		 1ji4 NEUTROPHIL-ACTIVATIN
G PROTEIN A
(Helicobacter
pylori) 		5 / 8 VAL A  21
ILE A  43
ALA A  39
VAL A  28
PHE A  86
 None
MPD  A 700 ( 4.6A)
None
None
None
 1.29A 5l94A-1ji4A:
undetectable		 5l94A-1ji4A:
17.88
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.
5LBT_A_6T0A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3cmg PUTATIVE
BETA-GALACTOSIDASE
(Bacteroides
fragilis) 		5 / 10 PHE A  51
ILE A  84
PHE A  49
GLY A 171
GLY A 172
 None
None
MPD  A 802 (-4.2A)
None
None
 1.04A 5lbtA-3cmgA:
undetectable
5lbtB-3cmgA:
undetectable		 5lbtA-3cmgA:
17.54
5lbtB-3cmgA:
17.54
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.
5LG3_A_Z80A401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3a1z HEMOLYMPH JUVENILE
HORMONE BINDING
PROTEIN
(Bombyx
mori) 		5 / 11 ILE A  67
PHE A  62
THR A 120
ILE A 193
ALA A 192
 None
None
None
None
MPD  A 232 ( 4.3A)
 1.04A 5lg3A-3a1zA:
undetectable		 5lg3A-3a1zA:
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.
5LG3_E_Z80E401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3a1z HEMOLYMPH JUVENILE
HORMONE BINDING
PROTEIN
(Bombyx
mori) 		5 / 12 ILE A  67
PHE A  62
THR A 120
ILE A 193
ALA A 192
 None
None
None
None
MPD  A 232 ( 4.3A)
 1.03A 5lg3E-3a1zA:
undetectable		 5lg3E-3a1zA:
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.
5LUR_B_STRB201_1
(AVIDIN)		 4bx7 STREPTAVIDIN
(Streptomyces
avidinii) 		5 / 11 TYR A  43
ALA A  45
TRP A  79
THR A  90
TRP A 108
 MPD  A1134 (-4.7A)
None
MPD  A1134 (-4.4A)
MPD  A1134 (-3.1A)
MPD  A1134 (-3.8A)
 0.49A 5lurB-4bx7A:
15.9		 5lurB-4bx7A:
29.66
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.
5M35_B_BEZB302_0
(14-3-3 PROTEIN
ZETA/DELTA)		 3w5n PUTATIVE
RHAMNOSIDASE
(Streptomyces
avermitilis) 		3 / 3 MET A 507
GLN A 505
ARG A 571
 None
None
MPD  A1207 ( 4.1A)
 1.05A 5m35B-3w5nA:
4.1		 5m35B-3w5nA:
12.45
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.
5M36_A_BEZA303_0
(14-3-3 PROTEIN
ZETA/DELTA)		 3w5n PUTATIVE
RHAMNOSIDASE
(Streptomyces
avermitilis) 		3 / 3 MET A 507
GLN A 505
ARG A 571
 None
None
MPD  A1207 ( 4.1A)
 1.05A 5m36A-3w5nA:
6.3		 5m36A-3w5nA:
12.45
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.
5M66_D_ADND502_2
(ADENOSYLHOMOCYSTEINA
SE)		 5m8h ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT
(Psychrobacter
arcticus) 		3 / 3 THR A 160
THR A 305
LEU A 241
 None
MPD  A 406 (-3.8A)
None
 0.62A 5m66D-5m8hA:
undetectable		 5m66D-5m8hA:
23.15
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.
5N5D_B_SAMB303_1
(METHYLTRANSFERASE)		 3wz4 DOTI
(Legionella
pneumophila) 		4 / 7 GLY A 198
PHE A 107
SER A 193
ARG A 159
 None
None
None
MPD  A 504 (-2.7A)
 0.87A 5n5dB-3wz4A:
undetectable		 5n5dB-3wz4A:
18.58
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.
5ND2_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		 3a1z HEMOLYMPH JUVENILE
HORMONE BINDING
PROTEIN
(Bombyx
mori) 		5 / 12 VAL A  50
ASP A  49
LEU A 161
ALA A 192
LEU A  65
 None
None
None
MPD  A 232 ( 4.3A)
None
 1.04A 5nd2B-3a1zA:
undetectable		 5nd2B-3a1zA:
16.70
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.
5NY7_A_NCAA303_0
(AMIDASE)		 4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN
(Lactobacillus
acidophilus) 		4 / 6 ARG A 125
GLY A 377
THR A 391
SER A 389
 None
None
None
MPD  A 605 ( 4.1A)
 1.12A 5ny7A-4ia5A:
undetectable		 5ny7A-4ia5A:
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.
5NZY_A_CE3A1103_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 5ej2 CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		4 / 8 THR A 175
ASP A 134
VAL A 185
GLY A 184
 MPD  A 302 ( 4.2A)
None
None
None
 0.82A 5nzyA-5ej2A:
undetectable		 5nzyA-5ej2A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OCS_A_ACTA402_0
(PUTATIVE
NADH-DEPENTDENT
FLAVIN
OXIDOREDUCTASE)		 3ca8 PROTEIN YDCF
(Escherichia
coli) 		4 / 5 ILE A 105
HIS A  85
HIS A  87
TYR A  88
 None
None
MPD  A 908 (-3.8A)
MPD  A 908 (-4.3A)
 1.35A 5ocsA-3ca8A:
0.7		 5ocsA-3ca8A:
19.89
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.
5OCS_C_ACTC402_0
(PUTATIVE
NADH-DEPENTDENT
FLAVIN
OXIDOREDUCTASE)		 3ca8 PROTEIN YDCF
(Escherichia
coli) 		4 / 5 ILE A 105
HIS A  85
HIS A  87
TYR A  88
 None
None
MPD  A 908 (-3.8A)
MPD  A 908 (-4.3A)
 1.34A 5ocsC-3ca8A:
undetectable		 5ocsC-3ca8A:
19.89
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.
5OEX_A_CUA601_0
(THIOCYANATE
DEHYDROGENASE)		 1wz8 ENOYL-COA HYDRATASE
(Thermus
thermophilus) 		3 / 3 HIS A 151
ASP A 150
HIS A 141
 None
MPD  A3003 (-4.3A)
MPD  A3003 (-3.9A)
 0.76A 5oexA-1wz8A:
undetectable		 5oexA-1wz8A:
19.87
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.
5OEX_B_CUB601_0
(THIOCYANATE
DEHYDROGENASE)		 1wz8 ENOYL-COA HYDRATASE
(Thermus
thermophilus) 		3 / 3 HIS A 151
ASP A 150
HIS A 141
 None
MPD  A3003 (-4.3A)
MPD  A3003 (-3.9A)
 0.69A 5oexB-1wz8A:
undetectable		 5oexB-1wz8A:
19.87
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.
5OEX_C_CUC601_0
(THIOCYANATE
DEHYDROGENASE)		 1wz8 ENOYL-COA HYDRATASE
(Thermus
thermophilus) 		3 / 3 HIS A 151
ASP A 150
HIS A 141
 None
MPD  A3003 (-4.3A)
MPD  A3003 (-3.9A)
 0.71A 5oexC-1wz8A:
0.0		 5oexC-1wz8A:
19.87
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.
5OEX_D_CUD601_0
(THIOCYANATE
DEHYDROGENASE)		 1wz8 ENOYL-COA HYDRATASE
(Thermus
thermophilus) 		3 / 3 HIS A 151
ASP A 150
HIS A 141
 None
MPD  A3003 (-4.3A)
MPD  A3003 (-3.9A)
 0.74A 5oexD-1wz8A:
undetectable		 5oexD-1wz8A:
19.87
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.
5OH1_B_EF2B202_0
(CEREBLON ISOFORM 4)		 4w5z CHITINASE 60
(Moritella
marina) 		4 / 7 ASN A 314
PRO A  52
TRP A  40
TRP A 311
 None
None
CL  A 408 (-4.3A)
MPD  A 402 ( 3.4A)
 1.48A 5oh1B-4w5zA:
undetectable		 5oh1B-4w5zA:
12.39
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.
5OH3_B_9V2B202_0
(CEREBLON ISOFORM 4)		 4w5z CHITINASE 60
(Moritella
marina) 		4 / 7 ASN A 314
PRO A  52
TRP A  40
TRP A 311
 None
None
CL  A 408 (-4.3A)
MPD  A 402 ( 3.4A)
 1.48A 5oh3B-4w5zA:
undetectable		 5oh3B-4w5zA:
15.65
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.
5OY0_2_PQN2843_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 12 ILE L 297
PHE L 421
ILE L 432
ALA L 429
LEU L 388
 None
MPD  L 604 (-4.8A)
None
None
None
 1.31A 5oy02-4u9iL:
3.6		 5oy02-4u9iL:
9.15
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.
5SXQ_A_NIZA808_1
(CATALASE-PEROXIDASE)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		4 / 8 VAL A 310
GLY A 352
GLN A 389
LEU A 353
 MPD  A2001 (-4.0A)
None
None
None
 0.93A 5sxqA-2d4wA:
undetectable		 5sxqA-2d4wA:
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.
5SXT_A_NIZA807_1
(CATALASE-PEROXIDASE)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		4 / 8 VAL A 310
GLY A 352
GLN A 389
LEU A 353
 MPD  A2001 (-4.0A)
None
None
None
 0.88A 5sxtA-2d4wA:
undetectable		 5sxtA-2d4wA:
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.
5SXT_B_NIZB808_1
(CATALASE-PEROXIDASE)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		4 / 8 VAL A 310
GLY A 352
GLN A 389
LEU A 353
 MPD  A2001 (-4.0A)
None
None
None
 0.89A 5sxtB-2d4wA:
undetectable		 5sxtB-2d4wA:
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.
5SYJ_B_NIZB809_1
(CATALASE-PEROXIDASE)		 2d4w GLYCEROL KINASE
(Cellulomonas
sp.) 		4 / 8 VAL A 310
GLY A 352
GLN A 389
LEU A 353
 MPD  A2001 (-4.0A)
None
None
None
 0.98A 5syjB-2d4wA:
undetectable		 5syjB-2d4wA:
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.
5TE8_C_08JC602_1
(CYTOCHROME P450 3A4)		 1sed HYPOTHETICAL PROTEIN
YHAI
(Bacillus
subtilis) 		4 / 7 LEU A  72
ALA A  76
ILE A  49
LEU A  53
 MPD  A 702 ( 4.8A)
MPD  A 703 (-4.4A)
None
None
 0.97A 5te8C-1sedA:
undetectable		 5te8C-1sedA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UIH_A_8CVA201_1
(DIHYDROFOLATE
REDUCTASE)		 4uri CHITINASE-RELATED
AGGLUTININ
(Robinia
pseudoacacia) 		4 / 8 ALA A 155
ASP A 112
LEU A  67
TYR A 185
 MPD  A 401 (-3.4A)
None
None
MPD  A 401 (-4.8A)
 0.84A 5uihA-4uriA:
undetectable		 5uihA-4uriA:
16.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UO9_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.25A 5uo9A-1m9qA:
61.0
5uo9B-1m9qA:
63.0		 5uo9A-1m9qA:
100.00
5uo9B-1m9qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UO9_D_H4BD502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.22A 5uo9C-1m9qA:
62.3
5uo9D-1m9qA:
62.7		 5uo9C-1m9qA:
100.00
5uo9D-1m9qA:
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.
5UUN_A_ACTA310_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 4y0e PUTATIVE DIOXYGENASE
(Mycobacteroides
abscessus) 		3 / 3 GLU A 205
HIS A 200
ARG A 198
 None
MPD  A 402 (-4.5A)
None
 0.76A 5uunA-4y0eA:
undetectable		 5uunA-4y0eA:
22.87
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.
5UVM_B_ADNB207_1
(HISTIDINE TRIAD
(HIT) PROTEIN)		 3r6f HIT FAMILY PROTEIN
(Encephalitozoon
cuniculi) 		6 / 12 PHE A   6
ASP A  28
LEU A  38
VAL A  87
HIS A  91
HIS A  93
 MPD  A 134 ( 4.9A)
MPD  A 134 (-3.3A)
None
SO4  A 133 (-4.4A)
SO4  A 133 (-3.6A)
SO4  A 133 (-4.3A)
 0.40A 5uvmB-3r6fA:
14.7		 5uvmB-3r6fA:
25.73
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.
5VKQ_B_PCFB1801_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 3o3x GP41-5
(synthetic
construct) 		4 / 5 THR A  54
ASN A  51
TRP A  26
LEU A  23
 None
None
None
MPD  A 199 (-3.6A)
 1.21A 5vkqB-3o3xA:
3.6
5vkqC-3o3xA:
3.6		 5vkqB-3o3xA:
8.30
5vkqC-3o3xA:
8.30
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.
5VKQ_C_PCFC1802_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 3o3x GP41-5
(synthetic
construct) 		4 / 5 THR A  54
ASN A  51
TRP A  26
LEU A  23
 None
None
None
MPD  A 199 (-3.6A)
 1.22A 5vkqC-3o3xA:
3.6
5vkqD-3o3xA:
3.6		 5vkqC-3o3xA:
8.30
5vkqD-3o3xA:
8.30
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.
5VLM_B_CVIB301_1
(REGULATORY PROTEIN
TETR)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		4 / 8 GLY S 246
ARG L 254
TYR L 448
ASP L 248
 None
None
None
MPD  S2006 ( 4.0A)
 0.87A 5vlmB-4u9iS:
undetectable		 5vlmB-4u9iS:
23.88
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.
5VLM_C_CVIC301_0
(REGULATORY PROTEIN
TETR)		 4v2p KETOSYNTHASE
(Myxococcus
fulvus) 		5 / 12 ALA A 151
LEU A 224
ARG A 158
TYR A  34
ASP A 221
 MPD  A1340 ( 4.3A)
MPD  A1340 ( 4.0A)
None
None
None
 1.34A 5vlmC-4v2pA:
undetectable		 5vlmC-4v2pA:
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.
5VLM_H_CVIH301_1
(REGULATORY PROTEIN
TETR)		 4wgx MOLINATE HYDROLASE
(Gulosibacter
molinativorax) 		4 / 8 GLY A  65
ILE A 270
ASP A 342
ASP A 112
 None
None
MPD  A 502 (-2.7A)
None
 0.88A 5vlmH-4wgxA:
undetectable		 5vlmH-4wgxA:
19.66
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.
5VM8_B_SAMB301_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 6cfd ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT
(Enterococcus
faecium) 		5 / 10 MET A  99
GLY A  34
ILE A  44
THR A  37
ALA A  73
 MPD  A 401 (-4.2A)
None
None
None
None
 0.94A 5vm8B-6cfdA:
undetectable		 5vm8B-6cfdA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VUN_A_ACTA804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 5 GLN A 189
TRP A 356
VAL A 418
SER A 426
 None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
MPD  A 604 (-3.1A)
 0.75A 5vunA-1m9qA:
59.7		 5vunA-1m9qA:
64.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VUN_A_ACTA804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 5 GLY A 186
GLN A 189
TRP A 356
VAL A 418
 MPD  A 604 (-3.8A)
None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
 0.15A 5vunA-1m9qA:
59.7		 5vunA-1m9qA:
64.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VUN_B_ACTB804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 4 GLY A 186
GLN A 189
TRP A 356
VAL A 418
 MPD  A 604 (-3.8A)
None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
 0.21A 5vunB-1m9qA:
59.2		 5vunB-1m9qA:
64.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VUO_A_ACTA804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 4 GLY A 186
GLN A 189
TRP A 356
VAL A 418
 MPD  A 604 (-3.8A)
None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
 0.14A 5vuoA-1m9qA:
59.7		 5vuoA-1m9qA:
64.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VUO_B_ACTB804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		3 / 3 GLY A 186
TRP A 356
VAL A 418
 MPD  A 604 (-3.8A)
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
 0.11A 5vuoB-1m9qA:
59.3		 5vuoB-1m9qA:
64.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VV7_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 SER A 102
VAL A 104
ARG A 365
TRP A 447
 None
MPD  A 605 (-4.7A)
MPD  A 605 ( 4.7A)
MPD  A 605 ( 4.0A)
 0.29A 5vv7A-1m9qA:
62.6
5vv7B-1m9qA:
62.6		 5vv7A-1m9qA:
95.17
5vv7B-1m9qA:
95.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VV9_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.28A 5vv9A-1m9qA:
61.7
5vv9B-1m9qA:
61.8		 5vv9A-1m9qA:
95.17
5vv9B-1m9qA:
95.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VVA_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.23A 5vvaA-1m9qA:
32.3
5vvaB-1m9qA:
62.0		 5vvaA-1m9qA:
95.17
5vvaB-1m9qA:
95.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VVD_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.19A 5vvdA-1m9qA:
61.0
5vvdB-1m9qA:
62.4		 5vvdA-1m9qA:
100.00
5vvdB-1m9qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VVN_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 SER A 102
VAL A 104
ARG A 365
TRP A 447
 None
MPD  A 605 (-4.7A)
MPD  A 605 ( 4.7A)
MPD  A 605 ( 4.0A)
 0.27A 5vvnA-1m9qA:
62.2
5vvnB-1m9qA:
62.2		 5vvnA-1m9qA:
95.17
5vvnB-1m9qA:
95.17
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.
5W7P_A_SAMA501_0
(OXAC)		 6cfd ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT
(Enterococcus
faecium) 		5 / 12 ALA A 106
GLY A 107
PHE A 102
LEU A 150
ASP A  79
 None
None
None
MPD  A 401 (-4.4A)
None
 1.15A 5w7pA-6cfdA:
undetectable		 5w7pA-6cfdA:
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.
5WYQ_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 1q6y HYPOTHETICAL PROTEIN
YFDW
(Escherichia
coli) 		5 / 12 PRO A 230
GLN A 231
GLY A 249
ILE A 307
GLY A 248
 None
MPD  A1100 ( 4.5A)
None
None
None
 0.99A 5wyqB-1q6yA:
undetectable		 5wyqB-1q6yA:
19.07
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.
5X6Y_A_SAMA902_0
(MRNA CAPPING ENZYME
P5)		 2f6x (S)-3-O-GERANYLGERAN
YLGLYCERYL PHOSPHATE
SYNTHASE
(Archaeoglobus
fulgidus) 		5 / 12 GLY A1123
PRO A1162
PHE A1159
THR A1082
VAL A1080
 None
None
None
None
MPD  A4001 (-4.5A)
 1.07A 5x6yA-2f6xA:
undetectable		 5x6yA-2f6xA:
14.30
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.
5X6Y_A_SAMA902_0
(MRNA CAPPING ENZYME
P5)		 3iwr CHITINASE
(Oryza
sativa) 		5 / 12 GLY A 279
PRO A 276
ALA A 275
THR A 282
VAL A 285
 None
MPD  A 341 (-4.8A)
None
None
MES  A   1 (-4.8A)
 1.21A 5x6yA-3iwrA:
undetectable		 5x6yA-3iwrA:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X80_B_SALB203_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 3ca8 PROTEIN YDCF
(Escherichia
coli) 		4 / 6 PRO A 153
GLY A 181
LEU A 199
VAL A  47
 None
MPD  A 901 (-3.5A)
MPD  A 901 ( 4.8A)
MPD  A 902 ( 4.3A)
 0.89A 5x80A-3ca8A:
undetectable
5x80B-3ca8A:
undetectable		 5x80A-3ca8A:
19.17
5x80B-3ca8A:
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.
5X80_C_SALC201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 2qe6 UNCHARACTERIZED
PROTEIN TFU_2867
(Thermobifida
fusca) 		4 / 7 VAL A 240
VAL A  63
GLY A 264
TYR A 242
 None
None
MPD  A 401 (-3.2A)
SO4  A 276 (-4.6A)
 0.98A 5x80C-2qe6A:
undetectable
5x80D-2qe6A:
undetectable		 5x80C-2qe6A:
21.51
5x80D-2qe6A:
21.51
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.
5YF0_A_SAMA505_0
(CARNOSINE
N-METHYLTRANSFERASE)		 3ca8 PROTEIN YDCF
(Escherichia
coli) 		5 / 12 GLY A 181
ASN A 197
PHE A 195
THR A 154
TYR A 208
 MPD  A 901 (-3.5A)
None
None
None
None
 1.37A 5yf0A-3ca8A:
undetectable		 5yf0A-3ca8A:
17.87
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.
5YK2_A_ERYA501_0
(PROBABLE CONSERVED
ATP-BINDING PROTEIN
ABC TRANSPORTER)		 2zbt PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermus
thermophilus) 		5 / 11 GLU A  39
ALA A  42
ALA A 251
ILE A 241
VAL A 237
 None
None
None
None
MPD  A 903 (-4.9A)
 1.05A 5yk2A-2zbtA:
undetectable		 5yk2A-2zbtA:
24.36
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.
5Z6J_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 4wgx MOLINATE HYDROLASE
(Gulosibacter
molinativorax) 		3 / 3 MET A 274
ASP A 342
ARG A 156
 None
MPD  A 502 (-2.7A)
MPD  A 501 ( 4.2A)
 1.02A 5z6jA-4wgxA:
undetectable		 5z6jA-4wgxA:
17.48
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.
5ZCQ_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME
(Mycolicibacteriu
m
smegmatis) 		4 / 7 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.96A 5zcqC-3zhrA:
undetectable
5zcqJ-3zhrA:
undetectable		 5zcqC-3zhrA:
14.22
5zcqJ-3zhrA:
6.02
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 2w48 SORBITOL OPERON
REGULATOR
(Klebsiella
pneumoniae) 		5 / 9 GLY A 242
TYR A 227
VAL A 240
GLY A 213
PRO A 215
 None
MPD  A1317 (-4.4A)
None
GOL  A1316 ( 3.7A)
None
 1.06A 5zniA-2w48A:
undetectable		 5zniA-2w48A:
13.65
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		 6cr0 (S)-6-HYDROXYNICOTIN
E OXIDASE
(Shinella
sp.
HZN7) 		4 / 7 THR A 168
LEU A 169
ILE A 334
THR A 333
 None
MPD  A 505 ( 4.5A)
None
MPD  A 505 ( 4.5A)
 1.03A 5zsfA-6cr0A:
undetectable
5zsfB-6cr0A:
undetectable		 5zsfA-6cr0A:
16.67
5zsfB-6cr0A:
16.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3w04 DWARF 88 ESTERASE
(Oryza
sativa) 		7 / 12 PHE A  78
VAL A 148
PHE A 186
ILE A 191
VAL A 194
PHE A 245
HIS A 297
 MPD  A 401 ( 4.4A)
None
None
None
None
MPD  A 401 ( 4.4A)
None
 0.82A 6ap6A-3w04A:
45.6		 6ap6A-3w04A:
75.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3w04 DWARF 88 ESTERASE
(Oryza
sativa) 		7 / 12 PHE A  78
VAL A 148
PHE A 186
ILE A 191
VAL A 244
PHE A 245
HIS A 297
 MPD  A 401 ( 4.4A)
None
None
None
MPD  A 401 ( 4.8A)
MPD  A 401 ( 4.4A)
None
 0.75A 6ap6A-3w04A:
45.6		 6ap6A-3w04A:
75.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3w04 DWARF 88 ESTERASE
(Oryza
sativa) 		7 / 12 PHE A  78
VAL A 148
PHE A 186
TRP A 205
VAL A 244
PHE A 245
HIS A 297
 MPD  A 401 ( 4.4A)
None
None
None
MPD  A 401 ( 4.8A)
MPD  A 401 ( 4.4A)
None
 0.52A 6ap6A-3w04A:
45.6		 6ap6A-3w04A:
75.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3w04 DWARF 88 ESTERASE
(Oryza
sativa) 		7 / 12 PHE A  78
VAL A 148
PHE A 186
VAL A 194
TRP A 205
PHE A 245
HIS A 297
 MPD  A 401 ( 4.4A)
None
None
None
None
MPD  A 401 ( 4.4A)
None
 0.61A 6ap6A-3w04A:
45.6		 6ap6A-3w04A:
75.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3w04 DWARF 88 ESTERASE
(Oryza
sativa) 		7 / 12 VAL A 148
PHE A 176
PHE A 186
ILE A 191
VAL A 194
PHE A 245
HIS A 297
 None
MPD  A 401 ( 3.7A)
None
None
None
MPD  A 401 ( 4.4A)
None
 0.93A 6ap6A-3w04A:
45.6		 6ap6A-3w04A:
75.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3w04 DWARF 88 ESTERASE
(Oryza
sativa) 		7 / 12 VAL A 148
PHE A 176
PHE A 186
ILE A 191
VAL A 244
PHE A 245
HIS A 297
 None
MPD  A 401 ( 3.7A)
None
None
MPD  A 401 ( 4.8A)
MPD  A 401 ( 4.4A)
None
 0.90A 6ap6A-3w04A:
45.6		 6ap6A-3w04A:
75.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3w04 DWARF 88 ESTERASE
(Oryza
sativa) 		7 / 12 VAL A 148
PHE A 176
PHE A 186
TRP A 205
VAL A 244
PHE A 245
HIS A 297
 None
MPD  A 401 ( 3.7A)
None
None
MPD  A 401 ( 4.8A)
MPD  A 401 ( 4.4A)
None
 0.72A 6ap6A-3w04A:
45.6		 6ap6A-3w04A:
75.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3w04 DWARF 88 ESTERASE
(Oryza
sativa) 		7 / 12 VAL A 148
PHE A 176
PHE A 186
VAL A 194
TRP A 205
PHE A 245
HIS A 297
 None
MPD  A 401 ( 3.7A)
None
None
None
MPD  A 401 ( 4.4A)
None
 0.77A 6ap6A-3w04A:
45.6		 6ap6A-3w04A:
75.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AP6_B_TLFB300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3w04 DWARF 88 ESTERASE
(Oryza
sativa) 		7 / 12 PHE A  78
VAL A 148
PHE A 186
ILE A 191
VAL A 194
PHE A 245
HIS A 297
 MPD  A 401 ( 4.4A)
None
None
None
None
MPD  A 401 ( 4.4A)
None
 0.82A 6ap6B-3w04A:
45.4		 6ap6B-3w04A:
75.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AP6_B_TLFB300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3w04 DWARF 88 ESTERASE
(Oryza
sativa) 		7 / 12 PHE A  78
VAL A 148
PHE A 186
ILE A 191
VAL A 244
PHE A 245
HIS A 297
 MPD  A 401 ( 4.4A)
None
None
None
MPD  A 401 ( 4.8A)
MPD  A 401 ( 4.4A)
None
 0.74A 6ap6B-3w04A:
45.4		 6ap6B-3w04A:
75.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AP6_B_TLFB300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3w04 DWARF 88 ESTERASE
(Oryza
sativa) 		7 / 12 PHE A  78
VAL A 148
PHE A 186
TRP A 205
VAL A 244
PHE A 245
HIS A 297
 MPD  A 401 ( 4.4A)
None
None
None
MPD  A 401 ( 4.8A)
MPD  A 401 ( 4.4A)
None
 0.50A 6ap6B-3w04A:
45.4		 6ap6B-3w04A:
75.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AP6_B_TLFB300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3w04 DWARF 88 ESTERASE
(Oryza
sativa) 		7 / 12 PHE A  78
VAL A 148
PHE A 186
VAL A 194
TRP A 205
PHE A 245
HIS A 297
 MPD  A 401 ( 4.4A)
None
None
None
None
MPD  A 401 ( 4.4A)
None
 0.60A 6ap6B-3w04A:
45.4		 6ap6B-3w04A:
75.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AP6_B_TLFB300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3w04 DWARF 88 ESTERASE
(Oryza
sativa) 		7 / 12 VAL A 148
PHE A 176
PHE A 186
ILE A 191
VAL A 194
PHE A 245
HIS A 297
 None
MPD  A 401 ( 3.7A)
None
None
None
MPD  A 401 ( 4.4A)
None
 0.93A 6ap6B-3w04A:
45.4		 6ap6B-3w04A:
75.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AP6_B_TLFB300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3w04 DWARF 88 ESTERASE
(Oryza
sativa) 		7 / 12 VAL A 148
PHE A 176
PHE A 186
ILE A 191
VAL A 244
PHE A 245
HIS A 297
 None
MPD  A 401 ( 3.7A)
None
None
MPD  A 401 ( 4.8A)
MPD  A 401 ( 4.4A)
None
 0.89A 6ap6B-3w04A:
45.4		 6ap6B-3w04A:
75.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AP6_B_TLFB300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3w04 DWARF 88 ESTERASE
(Oryza
sativa) 		7 / 12 VAL A 148
PHE A 176
PHE A 186
TRP A 205
VAL A 244
PHE A 245
HIS A 297
 None
MPD  A 401 ( 3.7A)
None
None
MPD  A 401 ( 4.8A)
MPD  A 401 ( 4.4A)
None
 0.72A 6ap6B-3w04A:
45.4		 6ap6B-3w04A:
75.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AP6_B_TLFB300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3w04 DWARF 88 ESTERASE
(Oryza
sativa) 		7 / 12 VAL A 148
PHE A 176
PHE A 186
VAL A 194
TRP A 205
PHE A 245
HIS A 297
 None
MPD  A 401 ( 3.7A)
None
None
None
MPD  A 401 ( 4.4A)
None
 0.77A 6ap6B-3w04A:
45.4		 6ap6B-3w04A:
75.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AUU_A_ACTA804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		3 / 3 GLN A 189
TRP A 356
VAL A 418
 None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
 0.09A 6auuA-1m9qA:
59.2		 6auuA-1m9qA:
64.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AUU_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.14A 6auuA-1m9qA:
59.2
6auuB-1m9qA:
59.3		 6auuA-1m9qA:
10.29
6auuB-1m9qA:
10.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AUU_B_ACTB804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 4 GLY A 186
GLN A 189
TRP A 356
VAL A 418
 MPD  A 604 (-3.8A)
None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
 0.20A 6auuB-1m9qA:
59.3		 6auuB-1m9qA:
64.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AV6_B_H4BB501_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 SER A 102
VAL A 104
ARG A 365
TRP A 447
 None
MPD  A 605 (-4.7A)
MPD  A 605 ( 4.7A)
MPD  A 605 ( 4.0A)
 0.27A 6av6A-1m9qA:
61.5
6av6B-1m9qA:
63.1		 6av6A-1m9qA:
100.00
6av6B-1m9qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AV6_B_H4BB503_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.12A 6av6A-1m9qA:
61.5
6av6B-1m9qA:
63.1		 6av6A-1m9qA:
100.00
6av6B-1m9qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AV6_D_H4BD502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 SER A 102
VAL A 104
ARG A 365
TRP A 447
 None
MPD  A 605 (-4.7A)
MPD  A 605 ( 4.7A)
MPD  A 605 ( 4.0A)
 0.35A 6av6C-1m9qA:
62.0
6av6D-1m9qA:
62.9		 6av6C-1m9qA:
100.00
6av6D-1m9qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AV7_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 SER A 102
VAL A 104
ARG A 365
TRP A 447
 None
MPD  A 605 (-4.7A)
MPD  A 605 ( 4.7A)
MPD  A 605 ( 4.0A)
 0.27A 6av7A-1m9qA:
61.2
6av7B-1m9qA:
63.3		 6av7A-1m9qA:
100.00
6av7B-1m9qA:
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.
6AYC_A_1YNA502_2
(PROTEIN CYP51)		 5l0v PROTEIN
O-GLUCOSYLTRANSFERAS
E 1
(Homo
sapiens) 		4 / 7 VAL A 328
PRO A 220
LEU A 223
LEU A 318
 None
None
MPD  A1006 ( 4.4A)
MPD  A1006 ( 4.6A)
 1.09A 6aycA-5l0vA:
undetectable		 6aycA-5l0vA:
12.99
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.
6B2W_A_AG2A401_1
(PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE FAMILY
PROTEIN)		 4wgx MOLINATE HYDROLASE
(Gulosibacter
molinativorax) 		5 / 10 ASP A  71
ASP A 342
ASP A 112
THR A 113
ASN A 115
 None
MPD  A 502 (-2.7A)
None
MPD  A 502 ( 4.4A)
None
 1.44A 6b2wA-4wgxA:
0.0		 6b2wA-4wgxA:
10.38
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.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 2qe6 UNCHARACTERIZED
PROTEIN TFU_2867
(Thermobifida
fusca) 		6 / 12 GLY A  84
ASP A 110
ILE A 111
ASP A 112
VAL A 115
ASP A 135
 SAM  A 400 (-3.4A)
SAM  A 400 (-2.7A)
SAM  A 400 (-3.7A)
None
MPD  A 403 ( 4.6A)
SAM  A 400 (-3.4A)
 1.29A 6bq4B-2qe6A:
9.2		 6bq4B-2qe6A:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C06_D_FI8D1404_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		 5huc 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE (DAHP)
SYNTHASE
(Corynebacterium
glutamicum) 		3 / 3 ARG A 145
LYS A 143
ARG A 181
 None
PEP  A 502 ( 3.8A)
MPD  A 504 ( 4.9A)
 1.24A 6c06D-5hucA:
undetectable		 6c06D-5hucA:
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.
6C2M_C_SUEC1203_0
(NS3 PROTEASE)		 4x90 GROUP XV
PHOSPHOLIPASE A2
(Homo
sapiens) 		6 / 12 HIS A 359
VAL A 303
ASP A 327
GLY A  12
SER A 165
VAL A 191
 None
None
None
None
MPD  A 409 (-3.5A)
None
 1.43A 6c2mC-4x90A:
undetectable		 6c2mC-4x90A:
12.53
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)		 5e1r 7S VICILIN
(Carya
illinoinensis) 		6 / 8 ASN A 617
HIS A 630
ASN A 632
VAL A 637
ILE A 694
ARG A 724
 MPD  A 802 (-3.5A)
MPD  A 802 (-4.1A)
MPD  A 802 (-3.4A)
MPD  A 802 (-4.9A)
None
MPD  A 802 (-4.5A)
 0.26A 6cb4A-5e1rA:
43.1		 6cb4A-5e1rA:
33.83
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)		 5ohs -
(-) 		5 / 12 VAL A 138
GLY A 137
SER A 150
LEU A 494
SER A 279
 None
None
None
MPD  A 705 ( 4.5A)
MPD  A 705 ( 3.9A)
 1.30A 6ci6A-5ohsA:
undetectable		 6ci6A-5ohsA:
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)		 2vd3 ATP
PHOSPHORIBOSYLTRANSF
ERASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 ASP A  65
ASN A 187
ALA A 186
GLU A 199
 MPD  A1300 (-2.7A)
None
None
None
 1.00A 6ci6A-2vd3A:
undetectable		 6ci6A-2vd3A:
15.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CIE_B_H4BB502_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.19A 6cieA-1m9qA:
61.3
6cieB-1m9qA:
63.3		 6cieA-1m9qA:
100.00
6cieB-1m9qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CIF_C_H4BC502_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens) 		4 / 7 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.19A 6cifC-1m9qA:
62.1
6cifD-1m9qA:
54.4		 6cifC-1m9qA:
100.00
6cifD-1m9qA:
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.
6CZM_B_HISB402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 5w4t CADHERIN 23
(Danio
rerio) 		5 / 9 VAL C  93
ASN C   8
LEU C  15
GLN C  31
VAL C  62
 None
None
None
MPD  C 408 ( 4.9A)
None
 1.13A 6czmA-5w4tC:
undetectable
6czmB-5w4tC:
undetectable		 6czmA-5w4tC:
undetectable
6czmB-5w4tC:
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.
6CZM_C_HISC402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 5w4t CADHERIN 23
(Danio
rerio) 		5 / 9 VAL C  93
ASN C   8
LEU C  15
GLN C  31
VAL C  62
 None
None
None
MPD  C 408 ( 4.9A)
None
 1.22A 6czmB-5w4tC:
undetectable
6czmC-5w4tC:
undetectable		 6czmB-5w4tC:
undetectable
6czmC-5w4tC:
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.
6DHB_A_BEZA202_0
(HEPATITIS A VIRUS
CELLULAR RECEPTOR 2)		 3hrp UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 6 PHE A 297
ILE A 373
ASN A 356
ASP A 352
 None
None
EDO  A   8 ( 4.3A)
MPD  A   1 (-3.4A)
 1.24A 6dhbA-3hrpA:
undetectable		 6dhbA-3hrpA:
16.40
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.
6DJZ_B_GMJB301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 4wpg DTDP-4-DEHYDRORHAMNO
SE REDUCTASE
(Streptococcus
pyogenes) 		5 / 12 TYR A  55
LEU A  15
ILE A   2
THR A 199
LEU A 198
 MPD  A 301 (-4.6A)
None
None
MPD  A 301 ( 3.2A)
None
 1.26A 6djzB-4wpgA:
undetectable		 6djzB-4wpgA:
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		 3f8h PUTATIVE POLYKETIDE
CYCLASE
(Ruegeria
sp.
TM1040) 		5 / 12 VAL A 116
THR A 118
LEU A  24
PHE A  44
PHE A   9
 None
MPD  A 133 ( 3.3A)
None
None
None
 1.08A 6drzA-3f8hA:
undetectable		 6drzA-3f8hA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EMU_A_SAMA501_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		 4ew9 PECTATE LYASE
(Caldicellulosiru
ptor
bescii) 		5 / 12 LEU A   6
ILE A  25
GLY A   4
ILE A   8
ILE A  27
 MPD  A 207 ( 3.8A)
MPD  A 207 ( 4.8A)
None
MPD  A 206 (-4.4A)
None
 0.94A 6emuA-4ew9A:
undetectable		 6emuA-4ew9A:
22.87
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.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		 2ess ACYL-ACP
THIOESTERASE
(Bacteroides
thetaiotaomicron) 		3 / 3 TYR A 137
HIS A  41
PHE A  47
 None
None
MPD  A 252 ( 4.8A)
 0.97A 6esmA-2essA:
undetectable		 6esmA-2essA:
20.18
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.
6F6I_A_8PRA509_1
(ENVELOPE
GLYCOPROTEIN,GP,GP1
ENVELOPE
GLYCOPROTEIN)		 3cmg PUTATIVE
BETA-GALACTOSIDASE
(Bacteroides
fragilis) 		5 / 12 ARG A 244
VAL A 246
LEU A 248
LEU A 258
LEU A 217
 None
None
MPD  A 801 ( 4.7A)
None
None
 0.86A 6f6iA-3cmgA:
undetectable
6f6iB-3cmgA:
undetectable		 6f6iA-3cmgA:
8.62
6f6iB-3cmgA:
10.68
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.
6FN9_A_BEZA302_0
(14-3-3 PROTEIN
ZETA/DELTA)		 3w5n PUTATIVE
RHAMNOSIDASE
(Streptomyces
avermitilis) 		3 / 3 MET A 507
GLN A 505
ARG A 571
 None
None
MPD  A1207 ( 4.1A)
 1.05A 6fn9A-3w5nA:
6.0		 6fn9A-3w5nA:
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.
6FNA_B_BEZB302_0
(14-3-3 PROTEIN
ZETA/DELTA)		 3w5n PUTATIVE
RHAMNOSIDASE
(Streptomyces
avermitilis) 		3 / 3 MET A 507
GLN A 505
ARG A 571
 None
None
MPD  A1207 ( 4.1A)
 1.08A 6fnaB-3w5nA:
6.6		 6fnaB-3w5nA:
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.
6FNB_A_BEZA301_0
(14-3-3 PROTEIN
ZETA/DELTA)		 3w5n PUTATIVE
RHAMNOSIDASE
(Streptomyces
avermitilis) 		3 / 3 MET A 507
GLN A 505
ARG A 571
 None
None
MPD  A1207 ( 4.1A)
 1.05A 6fnbA-3w5nA:
6.8		 6fnbA-3w5nA:
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.
6GH9_A_MIXA1003_0
(UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 15)		 4l8k PUTATIVE PEPTIDASE
(Parabacteroides
merdae) 		4 / 5 ASN A 108
TYR A 240
GLY A 265
ASP A 174
 None
MPD  A 402 (-4.0A)
None
None
 1.15A 6gh9A-4l8kA:
undetectable		 6gh9A-4l8kA:
13.01
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.
6HU9_I_PCFI101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		 5nb3 PHYCOERYTHRIN ALPHA
SUBUNIT,PHYCOERYTHRI
N ALPHA
SUBUNIT,PHYCOERYTHRI
N ALPHA SUBUNIT
PHYCOERYTHRIN BETA
SUBUNIT,PHYCOERYTHRI
N BETA SUBUNIT
(Phormidium
rubidum;
Phormidium
rubidum) 		5 / 11 TYR M  93
VAL M 102
SER M   6
ALA M   8
VAL A   5
 None
None
None
None
MPD  M 204 (-4.4A)
 1.37A 6hu9A-5nb3M:
undetectable
6hu9E-5nb3M:
undetectable
6hu9I-5nb3M:
undetectable		 6hu9A-5nb3M:
18.50
6hu9E-5nb3M:
22.38
6hu9I-5nb3M:
17.42
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.
6HUP_B_DZPB502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		 3w04 DWARF 88 ESTERASE
(Oryza
sativa) 		5 / 11 LEU A 249
PRO A 174
MET A 151
LEU A 177
PHE A 176
 None
None
None
None
MPD  A 401 ( 3.7A)
 1.46A 6hupA-3w04A:
undetectable
6hupB-3w04A:
undetectable		 6hupA-3w04A:
15.27
6hupB-3w04A:
14.56
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.
6HUP_E_DZPE502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		 3w04 DWARF 88 ESTERASE
(Oryza
sativa) 		5 / 10 LEU A 249
PRO A 174
MET A 151
LEU A 177
PHE A 176
 None
None
None
None
MPD  A 401 ( 3.7A)
 1.45A 6hupD-3w04A:
undetectable
6hupE-3w04A:
undetectable		 6hupD-3w04A:
15.27
6hupE-3w04A:
14.56
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.
6I5Z_D_SAMD401_0
(O-METHYLTRANSFERASE
1)		 2qe6 UNCHARACTERIZED
PROTEIN TFU_2867
(Thermobifida
fusca) 		5 / 11 GLY A  84
GLY A  86
ASP A 110
VAL A 115
ASP A 135
 SAM  A 400 (-3.4A)
SAM  A 400 ( 3.2A)
SAM  A 400 (-2.7A)
MPD  A 403 ( 4.6A)
SAM  A 400 (-3.4A)
 1.21A 6i5zD-2qe6A:
12.6		 6i5zD-2qe6A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN1_B_LLLB302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		 3w5n PUTATIVE
RHAMNOSIDASE
(Streptomyces
avermitilis) 		5 / 10 TYR A 572
ASP A 502
GLY A 504
ASP A 534
THR A 536
 MPD  A1207 (-4.6A)
None
None
None
None
 1.38A 6mn1B-3w5nA:
undetectable		 6mn1B-3w5nA:
5.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN5_A_LLLA301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 1kwg BETA-GALACTOSIDASE
(Thermus
thermophilus) 		4 / 6 ASP A 291
TYR A 284
GLU A 280
GLU A 574
 None
None
None
MPD  A 803 ( 4.4A)
 1.36A 6mn5A-1kwgA:
0.1		 6mn5A-1kwgA:
7.63
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.
6MN5_C_LLLC301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 1kwg BETA-GALACTOSIDASE
(Thermus
thermophilus) 		4 / 6 ASP A 291
TYR A 284
GLU A 280
GLU A 574
 None
None
None
MPD  A 803 ( 4.4A)
 1.34A 6mn5C-1kwgA:
0.2		 6mn5C-1kwgA:
7.63
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.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		5 / 12 PHE A 178
LEU A 144
LEU A 154
GLY A 151
MET A 225
 MPD  A2001 ( 3.8A)
None
NAI  A1001 (-4.9A)
NAI  A1001 (-3.3A)
None
 1.19A 6r2eA-3afoA:
undetectable		 6r2eA-3afoA:
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.
6R2E_B_FFOB403_0
(THYMIDYLATE SYNTHASE)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		5 / 10 PHE A 178
LEU A 144
LEU A 154
GLY A 151
MET A 225
 MPD  A2001 ( 3.8A)
None
NAI  A1001 (-4.9A)
NAI  A1001 (-3.3A)
None
 1.17A 6r2eB-3afoA:
undetectable		 6r2eB-3afoA:
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.
6R2E_C_FFOC404_0
(THYMIDYLATE SYNTHASE)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		5 / 10 PHE A 178
LEU A 144
LEU A 154
GLY A 151
MET A 225
 MPD  A2001 ( 3.8A)
None
NAI  A1001 (-4.9A)
NAI  A1001 (-3.3A)
None
 1.14A 6r2eC-3afoA:
undetectable		 6r2eC-3afoA:
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.
6R2E_D_FFOD403_0
(THYMIDYLATE SYNTHASE)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		5 / 10 PHE A 178
LEU A 144
LEU A 154
GLY A 151
MET A 225
 MPD  A2001 ( 3.8A)
None
NAI  A1001 (-4.9A)
NAI  A1001 (-3.3A)
None
 1.21A 6r2eD-3afoA:
undetectable		 6r2eD-3afoA:
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.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		5 / 12 PHE A 178
LEU A 144
LEU A 154
GLY A 151
MET A 225
 MPD  A2001 ( 3.8A)
None
NAI  A1001 (-4.9A)
NAI  A1001 (-3.3A)
None
 1.19A 6r2eE-3afoA:
undetectable		 6r2eE-3afoA:
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.
6R2E_F_FFOF403_0
(THYMIDYLATE SYNTHASE)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		5 / 11 PHE A 178
LEU A 144
LEU A 154
GLY A 151
MET A 225
 MPD  A2001 ( 3.8A)
None
NAI  A1001 (-4.9A)
NAI  A1001 (-3.3A)
None
 1.21A 6r2eF-3afoA:
undetectable		 6r2eF-3afoA:
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.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		5 / 11 PHE A 178
LEU A 144
LEU A 154
GLY A 151
MET A 225
 MPD  A2001 ( 3.8A)
None
NAI  A1001 (-4.9A)
NAI  A1001 (-3.3A)
None
 1.18A 6r2eG-3afoA:
undetectable		 6r2eG-3afoA:
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.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		5 / 12 PHE A 178
LEU A 144
LEU A 154
GLY A 151
MET A 225
 MPD  A2001 ( 3.8A)
None
NAI  A1001 (-4.9A)
NAI  A1001 (-3.3A)
None
 1.23A 6r2eH-3afoA:
undetectable		 6r2eH-3afoA:
19.80