PDB ID: 6zsl


Macromolecule:
SARS-COV-2 HELICASE NSP13

Source Organism:
SARS-CoV-2

Gene names:
-

UniProt ID:
P0DTD1

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '6zsl'

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Drug Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM 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.
4W5Q_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
CYH B  84
GLN B  88
ILE B  35
ASP B  32
1.17A22.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_A_BEZA502_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		Benzoic Acid4 / 6
PHE A 291
ASN A 265
ILE A 293
GLY A 294
1.44A14.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5T_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
CYH B  84
GLN B  88
ILE B  35
ASP B  32
1.16A22.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IWK_A_CUA1599_0
(NITROUS OXIDE
REDUCTASE)		Copper3 / 3
CYH B  72
CYH B  55
HIS B  75
1.33A23.70
 ZN  B 703 (-2.4A)
ZN  B 703 (-2.2A)
ZN  B 703 (-3.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSD_B_1GNB618_1
(PHIAB6 TAILSPIKE)		Glucosamine3 / 3
THR A 550
SER A 555
TYR A 515
1.37A21.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4K_A_DR7A301_1
(PROTEASE)		Atazanavir5 / 12
LEU B 130
ALA B 108
GLY B 118
ILE B 121
ILE B 109
1.23A10.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		Metyrapone4 / 6
ILE B 525
ALA B 522
THR B 530
ALA B 509
1.23A24.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5K_B_017B201_1
(HIV-1 PROTEASE)		Darunavir5 / 12
LEU A 130
ALA A 108
GLY A 118
ILE A 121
ILE A 109
1.22A10.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JUO_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA)		Levofloxacin3 / 4
SER A 301
GLY A 273
GLU A 244
0.83A23.11
22.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		Acarbose5 / 12
ALA B 403
ASN B 559
ASN B 124
ARG B 427
ASP B 458
1.45A21.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DSG_A_0HKA1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		Tiotropium3 / 3
ASN A   9
LEU A 130
PHE A  24
1.33A23.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QHF_A_ACTA502_0
(CHORISMATE SYNTHASE)		Acetic acid3 / 3
GLY B 400
ASP B 401
SER B 377
1.31A21.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JUO_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA)		Levofloxacin3 / 4
SER B 301
GLY B 273
GLU B 244
0.77A23.11
22.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IK1_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 7
GLY A 285
VAL A 452
ILE A 448
VAL A 449
0.87A20.45
PO4  A 704 (-3.4A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PRG_A_BRLA1_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone3 / 3
ILE B 572
ILE B 512
LEU B 461
1.39A18.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZDY_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole3 / 3
ALA A 117
TYR A 120
PRO A 406
1.27A23.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TDR_A_MTXA170_2
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
SER B 301
ILE B 370
THR B 366
0.96A15.27
None
Potential target for repurposing, i.e. matched protein structure has less than 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_B_H3PB552_1
(GLUTAMATE
DEHYDROGENASE)		Hexachlorophene3 / 3
TYR B 269
TYR B 306
ILE B 304
1.49A22.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Progesterone5 / 12
LEU A  25
ALA A 110
GLY A  17
ALA A  18
VAL A  34
1.24A21.47
None
ZN  A 702 ( 4.5A)
None
ZN  A 702 ( 4.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RAE_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		Levofloxacin3 / 4
SER A 159
GLY A 213
GLU A 341
1.07A23.11
17.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Progesterone5 / 12
LEU A  25
ALA A 110
PHE A 106
GLY A  17
ALA A  18
1.47A21.47
None
ZN  A 702 ( 4.5A)
None
None
ZN  A 702 ( 4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T7I_A_017A200_2
(POL POLYPROTEIN)		Darunavir4 / 7
ALA B 446
ASP B 466
GLY B 571
ILE B 572
0.83A10.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PL0_A_STIA200_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK)		Imatinib5 / 12
VAL A 372
MET A 429
ILE A 376
LEU A 438
ASP A 435
1.39A18.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5U6M_A_SALA503_1
(UDP-GLYCOSYLTRANSFER
ASE 74F2)		Salicylic acid4 / 7
THR A  37
HIS A  33
PHE A 106
THR A 137
1.12A21.46
None
ZN  A 702 (-3.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU4_B_478B401_2
(PROTEASE)		Amprenavir5 / 9
LEU A 130
ALA A 108
GLY A 118
ILE A 121
ILE A 109
1.23A10.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		Suramin5 / 12
ALA B 553
THR B 416
ALA B 403
PHE B 422
MET B 576
1.49A20.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RV7_B_AB1B1001_1
(PROTEASE)		Lopinavir5 / 11
ASN A 388
ILE A 399
VAL A 241
LEU A 363
VAL A 360
1.26A10.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TT3_A_EZLA303_1
(ALPHA-CARBONIC
ANHYDRASE)		Ethoxzolamide5 / 10
HIS A 311
VAL A 314
LEU A 363
ALA A 362
PRO A 364
1.31A17.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B2T_A_ACTA108_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)		Acetic acid3 / 3
VAL A 356
THR A 351
ARG A 303
1.34A19.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD9_A_ADNA501_2
(NUPC FAMILY PROTEIN)		Adenosine3 / 3
THR B 416
ASN B 562
PHE B 561
1.34A21.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOF_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine4 / 5
ASP B 458
GLY B 433
PRO B 402
ALA B 403
1.13A9.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSW_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib3 / 3
PHE A 373
ILE A 376
ASP A 435
1.44A16.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Chloroquine4 / 8
GLY A 494
VAL A 495
PHE A 511
ILE A 545
1.28A17.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EA1_A_TPFA470_1
(CYTOCHROME P450
51-LIKE RV0764C)		Fluconazole4 / 8
TYR A 582
MET A 576
PHE A 561
THR A 451
1.27A20.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N0H_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 11
ILE A 399
ALA A 308
ILE A 304
LEU A 295
VAL A 397
1.31A15.94
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Carbocisteine3 / 3
GLU B 162
LYS B 202
VAL B 210
1.45A17.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VH3_B_DAHB2_1
(RANASMURFIN)		Levodopa4 / 8
ALA B 407
ALA B 379
GLY B 400
CYH B 426
1.08A10.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VOU_A_ACTA1397_0
(2,6-DIHYDROXYPYRIDIN
E HYDROXYLASE)		Acetic acid3 / 3
PRO A  77
GLY A  66
TYR A  71
0.65A19.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_A_SAMA302_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
THR A 552
ASP A 534
SER A 536
0.97A16.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B2S_A_ACTA107_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)		Acetic acid3 / 3
VAL B 356
THR B 351
ARG B 303
1.24A19.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BXO_A_SAMA238_1
(N,N-DIMETHYLTRANSFER
ASE)		S-Adenosylmethionine3 / 3
TYR B 217
GLU B 341
ASP B 315
1.30A17.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU4_B_478B401_2
(PROTEASE)		Amprenavir5 / 9
LEU B 130
ALA B 108
GLY B 118
ILE B 121
ILE B 109
1.23A10.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IK1_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 7
GLY B 285
VAL B 452
ILE B 448
VAL B 449
0.85A20.45
PO4  B 704 (-3.5A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Chloroquine5 / 12
GLY A 571
TYR A 543
GLU A 447
ILE A 448
PHE A 499
1.26A17.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5J_A_017A201_2
(PROTEASE)		Darunavir5 / 12
LEU B 130
ALA B 108
GLY B 118
ILE B 121
ILE B 109
1.27A10.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AX8_A_SAMA1474_0
(WBDD)		S-Adenosylmethionine5 / 12
ALA B 403
ILE B 565
SER B 453
VAL B 452
ILE B 448
1.12A22.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N0H_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 11
ILE B 399
ALA B 308
ILE B 304
LEU B 295
VAL B 397
1.29A15.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5U6M_A_SALA503_1
(UDP-GLYCOSYLTRANSFER
ASE 74F2)		Salicylic acid4 / 7
THR B  37
HIS B  33
PHE B 106
THR B 137
1.16A21.46
None
ZN  B 701 (-3.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZV_A_SAMA1474_0
(WBDD)		S-Adenosylmethionine5 / 12
ALA A 403
ILE A 565
SER A 453
VAL A 452
ILE A 448
1.12A22.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IMA_D_ADND604_1
(PYRUVATE KINASE)		Adenosine3 / 3
ARG B 427
GLU B 420
ASN B 124
1.28A22.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU4_B_478B401_2
(PROTEASE)		Amprenavir5 / 9
LEU A 280
GLY A 294
ALA A 292
ILE A 370
ILE A 399
1.50A10.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S53_A_017A201_1
(PROTEASE)		Darunavir5 / 9
ALA A 302
ASP A 369
GLY A 273
ILE A 249
ILE A 258
1.49A10.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4K_A_DR7A301_1
(PROTEASE)		Atazanavir5 / 12
LEU A 130
ALA A 108
GLY A 118
ILE A 121
ILE A 109
1.25A10.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WBV_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		S-Adenosylmethionine5 / 12
TYR B  71
SER B  80
HIS B  75
CYH B  72
CYH B  50
1.48A19.47
None
None
ZN  B 703 (-3.0A)
ZN  B 703 (-2.4A)
ZN  B 703 (-2.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HSH_A_MK1A401_1
(HIV-II PROTEASE)		Indinavir5 / 12
ALA A 379
ASP A 383
VAL A 387
ILE A 399
ILE A 376
1.33A11.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZE1_A_X2NA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Posaconazole4 / 5
VAL A 558
ILE A 525
PRO A 514
THR A 481
1.01A23.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKP_B_478B200_2
(PROTEASE)		Amprenavir5 / 10
LEU A 130
ASP A 105
GLY A 118
ILE A 121
ALA A 134
1.43A10.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_C_ACTC3004_0
(BETA-CARBONIC
ANHYDRASE)		Acetic acid4 / 6
GLN A 281
CYH A 426
VAL A 425
GLY A 400
1.37A16.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YCP_A_BRLA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone3 / 3
GLY B 282
VAL B 425
MET B 429
1.44A19.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FGC_A_ACTA810_0
(GEPHYRIN)		Acetic acid3 / 3
LEU A 526
SER A 523
PHE A 511
1.11A20.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TT3_A_EZLA303_1
(ALPHA-CARBONIC
ANHYDRASE)		Ethoxzolamide5 / 10
HIS B 311
VAL B 314
LEU B 363
ALA B 362
PRO B 364
1.37A17.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V4T_A_ACTA503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid3 / 3
ARG B  21
GLU B 143
THR B 231
0.88A21.92
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Camphor4 / 8
LEU A 438
VAL A 372
ASP A 374
VAL A 397
0.92A20.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_A_SAMA302_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
THR B 550
ASP B 534
SER B 536
0.84A16.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5J_A_017A201_2
(PROTEASE)		Darunavir5 / 12
LEU A 130
ALA A 108
GLY A 118
ILE A 121
ILE A 109
1.27A10.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IWK_A_CUA1599_0
(NITROUS OXIDE
REDUCTASE)		Copper3 / 3
CYH A  55
CYH A  72
HIS A  75
1.01A23.70
 ZN  A 701 (-2.2A)
ZN  A 701 (-2.5A)
ZN  A 701 (-3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RAE_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		Levofloxacin3 / 4
SER B 301
GLY B 273
GLU B 244
0.75A23.11
17.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6D9K_F_ACTF802_0
(UNCHARACTERIZED
PROTEIN)		Acetic acid3 / 3
TYR B 398
ALA B 379
LEU B 384
0.84A23.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Chloroquine5 / 12
GLY B 571
TYR B 543
GLU B 447
ILE B 448
PHE B 499
1.30A17.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4G_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 7
ARG B  22
CYH B  19
ILE B  20
PRO B  23
1.37A22.27
None
ZN  B 701 (-2.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RD7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A 525
LEU A 500
THR A 547
ILE A 575
ILE A 493
1.38A15.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L0Z_B_SAMB304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		S-Adenosylmethionine5 / 10
LEU B 317
ILE B 304
LEU B 295
LEU B 297
ALA B 296
1.17A21.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP6_A_SALA3002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		Salicylic acid4 / 8
LEU A 528
ILE A 493
VAL A 496
LEU A 500
0.86A15.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B2T_A_ACTA108_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)		Acetic acid3 / 3
VAL B 356
THR B 351
ARG B 303
1.26A19.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_A_BEZA502_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		Benzoic Acid4 / 6
PHE B 291
ASN B 265
ILE B 293
GLY B 294
1.39A14.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GM7_B_PNNB1577_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		Benzylpenicillin4 / 8
SER A 577
SER A 517
SER A 485
ALA A 487
0.97A17.71
21.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		Zonisamide4 / 8
TYR A 476
LEU A 573
CYH A 574
GLN A 492
1.44A22.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		Metyrapone4 / 6
ILE A 525
ALA A 522
THR A 530
ALA A 509
1.18A24.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QGT_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL B 272
TYR B 269
GLN B 270
0.97A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UXQ_A_0LIA1752_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		Ponatinib4 / 7
VAL A 495
ILE A 545
ALA A 522
ILE A 512
1.34A19.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WSJ_A_MK1A201_2
(PROTEASE)		Indinavir4 / 7
LEU A 122
ALA A 134
VAL A   6
ILE A 109
1.41A11.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JQB_B_IBPB706_1
(ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN 1
ENVELOPE
GLYCOPROTEIN 2)		Ibuprofen4 / 8
ALA B 110
LEU B 130
LEU B  25
LEU B   7
0.81A18.67
12.40
 ZN  B 701 ( 4.4A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AV6_A_SAMA1_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1)		S-Adenosylmethionine5 / 12
GLY A  66
LEU A  65
PRO A  47
LEU A  43
ASN A  51
1.16A17.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OCU_A_TYLA3001_1
(LACTOTRANSFERRIN)		Acetaminophen3 / 3
LEU B 138
TYR B 120
GLY B 118
1.31A20.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKP_B_478B200_2
(PROTEASE)		Amprenavir5 / 10
LEU B 130
ALA B 108
GLY B 118
ILE B 121
ILE B 109
1.28A10.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V4T_A_ACTA503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid3 / 3
ARG A 129
GLU A 128
THR A 127
0.98A21.92
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Camphor4 / 8
LEU B 438
VAL B 372
ASP B 374
VAL B 397
0.94A20.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4Y_A_TPVA501_2
(PROTEIN (HIV-1
PROTEASE))		Tipranavir4 / 8
ALA B 302
ILE B 249
VAL B 397
ILE B 370
0.75A10.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q70_A_RITA2001_2
(CANDIDAPEPSIN-2)		Ritonavir4 / 6
THR B 188
ILE B 151
TYR B 224
THR A 216
1.43A20.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5K_B_017B201_1
(HIV-1 PROTEASE)		Darunavir5 / 12
LEU B 130
ALA B 108
GLY B 118
ILE B 121
ILE B 109
1.23A10.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DDW_A_PXLA1003_1
(PYRIDOXINE KINASE)		Pyridoxal4 / 8
VAL A  89
VAL A  60
PRO A  82
ASP A  59
1.41A20.00
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Benzoic Acid4 / 6
GLN B 354
TYR B 355
PRO B 326
LEU B 297
1.23A12.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YCP_A_BRLA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone3 / 3
GLY A 282
VAL A 425
MET A 429
1.45A19.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QGK_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 272
TYR A 269
GLN A 270
1.01A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IP7_D_ADND604_1
(PYRUVATE KINASE
ISOZYMES L)		Adenosine3 / 3
ARG B 427
GLU B 420
ASN B 124
1.19A22.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T7I_A_017A200_2
(POL POLYPROTEIN)		Darunavir4 / 7
ALA A 403
VAL A 563
GLY A 400
ILE A 376
1.11A10.02
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Levomefolic acid3 / 3
LYS B 394
ASN B 388
ASP B 369
1.42A19.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CP4_A_CAMA416_0
(CYTOCHROME P450-CAM)		Camphor4 / 7
LEU B 438
VAL B 372
ASP B 374
VAL B 397
0.92A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IWK_A_CUA1599_0
(NITROUS OXIDE
REDUCTASE)		Copper3 / 3
CYH A  72
CYH A  55
HIS A  75
1.40A23.70
 ZN  A 701 (-2.5A)
ZN  A 701 (-2.2A)
ZN  A 701 (-3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 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_1
(YAEB-LIKE PROTEIN
RPA0152)		S-Adenosylmethionine4 / 5
HIS A 311
ARG A 409
ASP A 383
THR A 359
1.48A14.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DSG_A_0HKA1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		Tiotropium3 / 3
ASN B 489
LEU B 526
PHE B 546
0.99A23.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VOU_A_ACTA1397_0
(2,6-DIHYDROXYPYRIDIN
E HYDROXYLASE)		Acetic acid3 / 3
PRO B  77
GLY B  66
TYR B  71
0.73A19.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DSG_A_0HKA1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		Tiotropium3 / 3
ASN A 489
LEU A 526
PHE A 546
0.94A23.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QGK_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL B 272
TYR B 269
GLN B 270
0.97A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 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_F_H3PF552_1
(GLUTAMATE
DEHYDROGENASE)		Hexachlorophene4 / 7
MET A 429
ILE A 376
LYS A 288
TYR A 277
1.46A22.48
None
None
PO4  A 705 ( 2.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4E_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 7
ARG B  22
CYH B  19
ILE B  20
PRO B  23
1.38A22.27
None
ZN  B 701 (-2.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		Acetic acid3 / 3
TYR A 398
ASN A 423
LEU A 384
0.99A22.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RV7_B_AB1B1001_1
(PROTEASE)		Lopinavir5 / 11
ASN B 388
ILE B 399
VAL B 241
LEU B 363
VAL B 360
1.29A10.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JQB_B_IBPB706_1
(ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN 1
ENVELOPE
GLYCOPROTEIN 2)		Ibuprofen4 / 8
ALA A 110
LEU A 130
LEU A  25
LEU A   7
0.89A18.67
12.40
 ZN  A 702 ( 4.5A)
None
None
ZN  A 703 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L0Z_B_SAMB304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		S-Adenosylmethionine5 / 10
LEU A 317
ILE A 304
LEU A 295
LEU A 297
ALA A 296
1.18A21.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D1Z_B_017B201_2
(HIV-1 PROTEASE)		Darunavir5 / 12
LEU A 130
ALA A 108
GLY A 118
ILE A 121
ILE A 109
1.18A10.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LBD_A_9CRA424_1
(RETINOIC ACID
RECEPTOR GAMMA)		Alitretinoin5 / 12
LEU B 500
ILE B 493
ARG B 490
PHE B 511
ALA B 509
1.44A18.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZE1_A_X2NA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Posaconazole4 / 5
VAL B 558
ILE B 525
PRO B 514
THR B 481
1.01A23.21
None
Potential target for repurposing, i.e. matched protein structure has less than 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_F_H3PF552_1
(GLUTAMATE
DEHYDROGENASE)		Hexachlorophene4 / 7
MET B 429
ILE B 376
LYS B 288
TYR B 277
1.49A22.48
None
None
PO4  B 705 ( 2.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R5L_A_VIVA301_0
(PROTEIN
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN))		Vitamin E5 / 12
VAL A 533
ILE A 493
VAL A 496
ILE A 575
ILE A 572
1.33A17.97
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Diclofenac4 / 8
LEU A 405
ALA A 564
CYH A 556
HIS A 554
1.23A10.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LL3_A_017A201_2
(PROTEASE)		Darunavir5 / 10
LEU B 130
ALA B 108
GLY B 118
ILE B 121
ILE B 109
1.28A10.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		Bezafibrate4 / 8
ALA B 362
THR B 359
THR B 307
ALA B 316
1.43A15.61
14.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A7J_A_TESA502_0
(CYTOCHROME P450)		Testosterone4 / 7
LEU A   7
LEU A 130
THR A 111
THR A  37
1.19A22.28
 ZN  A 703 ( 4.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V4T_A_ACTA503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid3 / 3
ARG A 303
GLU A 353
THR A 351
0.96A21.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PL0_A_STIA200_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK)		Imatinib5 / 12
VAL B 372
MET B 429
ILE B 376
LEU B 438
ASP B 435
1.42A18.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OND_A_ADNA506_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
GLN B 548
THR B 549
LEU B 573
1.24A21.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V2O_B_CLQB1079_0
(SAPOSIN-B)		Chloroquine3 / 3
MET B 378
GLU B 375
LEU B 405
1.21A10.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Citalopram5 / 12
TYR B 306
ASP B 374
PHE B 291
LEU B 391
VAL B 272
1.41A23.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IDW_B_017B401_2
(PROTEASE)		Darunavir5 / 9
LEU A 130
ALA A 108
GLY A 118
ILE A 121
ILE A 109
1.28A9.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DDW_A_PXLA1003_1
(PYRIDOXINE KINASE)		Pyridoxal4 / 8
VAL A  60
LEU A  43
HIS A  33
ASP A  59
1.08A20.00
None
None
ZN  A 702 (-3.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		Zonisamide4 / 8
LEU B 461
CYH B 441
GLN B 404
TYR B 457
1.45A22.68
None
None
PO4  B 705 (-2.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DG5_A_TOPA201_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 11
ILE B 512
ALA B 568
ILE B 448
PHE B 546
LEU B 581
1.42A14.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DDW_A_PXLA1003_1
(PYRIDOXINE KINASE)		Pyridoxal4 / 8
VAL B  89
VAL B  60
PRO B  82
ASP B  59
1.37A20.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LZV_A_017A200_1
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU A 295
ALA A 302
GLY A 251
ILE A 249
VAL A 397
1.41A9.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU9_A_478A401_1
(PROTEASE)		Amprenavir4 / 8
ALA A 403
VAL A 563
GLY A 400
ILE A 376
1.07A10.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EA1_A_TPFA470_1
(CYTOCHROME P450
51-LIKE RV0764C)		Fluconazole4 / 8
TYR B 582
MET B 576
PHE B 561
THR B 451
1.26A20.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZV_A_SAMA1474_0
(WBDD)		S-Adenosylmethionine5 / 12
ALA B 403
ILE B 565
SER B 453
VAL B 452
ILE B 448
1.08A22.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TV8_A_SAMA1501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		S-Adenosylmethionine4 / 7
TYR A 382
THR B 351
SER A 236
VAL A 386
1.48A20.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S1X_A_NVPA999_1
(REVERSE
TRANSCRIPTASE)		Nevirapine4 / 8
TYR B 120
GLY B 415
TRP B 114
LEU B 411
1.41A20.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Chloroquine5 / 12
GLY B  67
GLY B  66
TYR B  71
ILE B  79
PHE B  90
1.32A17.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Chloroquine4 / 8
GLY B 494
VAL B 495
PHE B 511
ILE B 545
1.28A17.69
None
Potential target for repurposing, i.e. matched protein structure has less than 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_B_LOCB700_1
(TUBULIN ALPHA-1C
CHAIN
TUBULIN BETA-2B
CHAIN)		Colchicine3 / 3
SER A 468
ALA A 446
VAL A 449
1.02A20.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		S-Adenosylmethionine4 / 8
TYR A 382
THR B 351
SER A 236
VAL A 386
1.44A20.94
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Phylloquinone5 / 12
ILE A 249
ILE A 399
ALA A 292
LEU A 295
ALA A 296
1.37A22.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU4_B_478B401_2
(PROTEASE)		Amprenavir5 / 9
LEU B 295
ALA B 302
GLY B 251
ILE B 249
ILE B 370
1.38A10.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		Clotrimazole4 / 5
LEU B 581
ALA B 564
THR B 566
ILE B 448
1.12A20.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UXQ_A_0LIA1752_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		Ponatinib4 / 7
VAL B 495
ILE B 545
ALA B 522
ILE B 512
1.37A19.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B2S_A_ACTA107_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)		Acetic acid3 / 3
VAL A 356
THR A 351
ARG A 303
1.33A19.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		Clotrimazole4 / 5
LEU A 581
ALA A 564
THR A 566
ILE A 448
1.08A20.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RAE_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		Levofloxacin3 / 4
SER A 301
GLY A 273
GLU A 244
0.81A23.11
17.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		Suramin5 / 12
ALA A 553
THR A 416
ALA A 403
PHE A 422
MET A 576
1.50A20.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4D_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
CYH B  84
GLN B  88
ILE B  35
ASP B  32
1.20A22.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DG5_A_TOPA201_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 11
ILE A 512
ALA A 568
ILE A 448
PHE A 546
LEU A 581
1.44A14.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXW_B_017B200_1
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU A 363
ALA A 368
ASP A 369
VAL A 397
VAL A 387
1.47A10.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BSX_A_T3A1_1
(PROTEIN (THYROID
HORMONE RECEPTOR
BETA))		Liothyronine5 / 12
ILE A 249
ALA A 302
LEU A 252
ILE A 304
MET A 436
1.13A15.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXW_B_017B200_1
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU B 363
ALA B 368
ASP B 369
VAL B 397
VAL B 387
1.48A10.36
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Phylloquinone5 / 12
ILE B 249
ILE B 399
ALA B 292
LEU B 295
ALA B 296
1.30A22.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OGP_A_017A200_2
(FIV PROTEASE)		Darunavir5 / 10
ALA A 368
ILE A 370
VAL A 371
ILE A 333
LEU A 391
1.34A11.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_A_SAMA302_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
THR B 552
ASP B 534
SER B 536
0.94A16.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW1_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 12
SER B 536
GLN B 537
ALA B 568
THR B 566
ALA B 564
1.46A18.08
16.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XH9_A_J01A1437_1
(ORF12)		Clavulanate5 / 11
SER B  13
SER B  44
TYR B  70
GLY B  91
PHE B  90
1.50A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 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_B_LOCB700_1
(TUBULIN ALPHA-1C
CHAIN
TUBULIN BETA-2B
CHAIN)		Colchicine3 / 3
SER B 468
ALA B 446
VAL B 449
1.03A20.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		Benzylpenicillin3 / 3
ARG A 443
ARG A 567
ILE A 572
1.16A20.13
PO4  A 705 ( 2.7A)
PO4  A 705 (-2.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Benzoic Acid4 / 6
GLN A 354
TYR A 355
PRO A 326
LEU A 297
1.21A12.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HW8_C_FK5C201_1
(FK506-BINDING
PROTEIN 1)		Tacrolimus5 / 10
VAL A 544
ILE A 572
LEU A 585
PHE A 561
ILE A 493
1.46A13.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Progesterone5 / 12
LEU B  25
ALA B 110
GLY B  17
ALA B  18
VAL B  34
1.27A21.47
None
ZN  B 701 ( 4.4A)
None
ZN  B 701 ( 4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4C_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
CYH B  84
GLN B  88
ILE B  35
ASP B  32
1.08A22.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TAT_B_CFFB5102_1
(RYANODINE RECEPTOR 1)		Caffeine4 / 6
GLU B 447
ILE B 448
ILE B 572
TRP B 506
1.34A8.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LBD_A_9CRA424_1
(RETINOIC ACID
RECEPTOR GAMMA)		Alitretinoin5 / 12
LEU A 500
ILE A 493
ARG A 490
PHE A 511
ALA A 509
1.47A18.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Chloroquine5 / 12
GLY A  67
GLY A  66
TYR A  71
ILE A  79
PHE A  90
1.23A17.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R5L_A_VIVA301_0
(PROTEIN
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN))		Vitamin E5 / 12
VAL B 533
ILE B 493
VAL B 496
ILE B 575
ILE B 572
1.29A17.97
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Camphor4 / 8
LEU A 438
VAL A 372
ASP A 374
VAL A 397
0.93A20.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSW_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib3 / 3
PHE B 373
ILE B 376
ASP B 435
1.44A16.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VH3_B_DAHB2_1
(RANASMURFIN)		Levodopa4 / 8
ALA A 407
ALA A 379
GLY A 400
CYH A 426
1.11A10.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4Y_A_TPVA501_2
(PROTEIN (HIV-1
PROTEASE))		Tipranavir4 / 8
ALA A 302
ILE A 249
VAL A 397
ILE A 370
0.77A10.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5O_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 7
ARG B  22
CYH B  19
ILE B  20
PRO B  23
1.37A22.27
None
ZN  B 701 (-2.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OHT_A_1N1A1000_2
(P38A)		Dasatinib3 / 3
GLU B 142
LEU B 411
LEU B 122
1.43A20.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FT9_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)		Cholic Acid5 / 11
LEU B 500
ILE B 575
THR B 547
ASN B 489
GLN B 518
1.44A11.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LZV_A_017A200_1
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU B 295
ALA B 302
GLY B 251
ILE B 249
VAL B 397
1.42A9.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_A_SAMA302_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
THR A 550
ASP A 534
SER A 536
0.95A16.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DSG_A_0HKA1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		Tiotropium3 / 3
ASN A   9
LEU A 132
PHE A  24
1.34A23.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LL3_A_017A201_2
(PROTEASE)		Darunavir5 / 10
LEU A 130
ALA A 108
GLY A 118
ILE A 121
ILE A 109
1.26A10.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FT9_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)		Cholic Acid5 / 11
LEU A 500
ILE A 575
THR A 547
ASN A 489
GLN A 518
1.43A11.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU9_A_478A401_1
(PROTEASE)		Amprenavir4 / 8
ALA B 446
ASP B 466
GLY B 571
ILE B 572
0.89A10.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU4_B_478B401_2
(PROTEASE)		Amprenavir5 / 9
LEU A 405
GLY A 538
ASP A 374
ILE A 376
GLY A 282
1.42A10.28
None
PO4  A 705 (-3.5A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D1Z_B_017B201_2
(HIV-1 PROTEASE)		Darunavir5 / 12
LEU B 130
ALA B 108
GLY B 118
ILE B 121
ILE B 109
1.20A10.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T7J_A_478A200_2
(POL POLYPROTEIN)		Amprenavir4 / 7
ALA A 403
VAL A 563
GLY A 400
ILE A 376
1.11A10.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		Ciprofloxacin3 / 3
ARG B 442
GLY B 285
SER B 453
1.20A22.31
None
PO4  B 704 (-3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_C_ACTC3004_0
(BETA-CARBONIC
ANHYDRASE)		Acetic acid4 / 6
GLN B 281
CYH B 426
VAL B 425
GLY B 400
1.37A16.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		Metyrapone4 / 6
ILE B 493
ALA B 522
THR B 530
ALA B 509
1.40A24.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BSX_A_T3A1_1
(PROTEIN (THYROID
HORMONE RECEPTOR
BETA))		Liothyronine5 / 12
ILE B 249
ALA B 302
LEU B 252
ILE B 304
MET B 436
1.11A15.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PRG_A_BRLA1_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone3 / 3
ILE A 572
ILE A 512
LEU A 461
1.35A18.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0M_B_KLNB1499_1
(CYTOCHROME P450 3A4)		Ketoconazole4 / 7
ILE B 293
THR B 286
ILE B 304
GLY B 400
1.19A24.36
None
PO4  B 704 (-4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I8F_A_ML1A211_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)		Melatonin4 / 6
LYS B 569
ALA B 568
VAL B 544
TYR B 543
1.25A15.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PFJ_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 7
GLU A 365
THR B 359
HIS B 311
ASN B 349
1.46A18.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW1_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 12
SER A 536
GLN A 537
ALA A 568
THR A 566
ALA A 564
1.48A18.08
16.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q70_A_RITA2001_2
(CANDIDAPEPSIN-2)		Ritonavir4 / 6
ILE B 293
TYR B 306
ASP B 369
THR B 351
1.38A20.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Citalopram5 / 12
TYR A 306
ASP A 374
PHE A 291
LEU A 391
VAL A 272
1.41A23.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		Bezafibrate4 / 8
ALA A 362
THR A 359
THR A 307
ALA A 316
1.44A15.61
14.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HW8_C_FK5C201_1
(FK506-BINDING
PROTEIN 1)		Tacrolimus5 / 10
VAL B 544
ILE B 572
LEU B 585
PHE B 561
ILE B 493
1.47A13.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q70_A_RITA2001_2
(CANDIDAPEPSIN-2)		Ritonavir4 / 6
ILE A 293
TYR A 306
ASP A 369
THR A 351
1.49A20.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YC5_A_NCAA2001_0
(NAD-DEPENDENT
DEACETYLASE)		Nicotinamide4 / 7
ALA A 520
SER A 517
ILE A 488
ILE A 493
1.38A16.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4Y_A_TPVA501_2
(PROTEIN (HIV-1
PROTEASE))		Tipranavir4 / 8
LEU A 295
ALA A 302
VAL A 372
ILE A 304
1.08A10.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TDR_A_MTXA170_2
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
SER A 301
ILE A 370
THR A 366
0.96A15.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PFJ_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 7
GLU A 136
THR A 137
HIS A  33
LEU A  25
1.39A18.91
None
None
ZN  A 702 (-3.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RAE_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		Levofloxacin3 / 4
SER B 263
GLY B 287
GLU B 540
1.48A23.11
17.52
None
PO4  B 704 (-3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Levomefolic acid3 / 3
LYS A 394
ASN A 388
ASP A 369
1.46A19.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		Metyrapone4 / 6
ILE A 493
ALA A 522
THR A 530
ALA A 509
1.37A24.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6D9K_F_ACTF802_0
(UNCHARACTERIZED
PROTEIN)		Acetic acid3 / 3
TYR A 398
ALA A 379
LEU A 384
0.90A23.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IDW_B_017B401_2
(PROTEASE)		Darunavir5 / 9
LEU B 130
ALA B 108
GLY B 118
ILE B 121
ILE B 109
1.33A9.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FGC_A_ACTA810_0
(GEPHYRIN)		Acetic acid3 / 3
LEU B 526
SER B 523
PHE B 511
1.10A20.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKP_B_478B200_2
(PROTEASE)		Amprenavir5 / 10
LEU A 130
ALA A 108
GLY A 118
ILE A 121
ILE A 109
1.28A10.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		Benzylpenicillin3 / 3
ARG B 443
ARG B 567
ILE B 572
1.09A20.13
PO4  B 705 ( 2.5A)
PO4  B 705 (-2.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WQ4_A_ACTA403_0
(TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE)		Acetic acid3 / 3
VAL B 157
LEU B 163
VAL B 154
0.83A20.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PRG_A_BRLA1_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone3 / 3
ILE A 545
ILE A 493
LEU A 585
1.15A18.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DJ2_B_AB1B201_1
(HIV-1 PROTEASE)		Lopinavir5 / 12
ARG B 409
ALA B 403
VAL B 563
GLY B 400
ILE B 376
1.29A10.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HYY_A_STIA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 6
LEU A 455
VAL A 510
VAL A 533
ILE A 572
1.46A18.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IWK_A_CUA1599_0
(NITROUS OXIDE
REDUCTASE)		Copper3 / 3
CYH B  55
CYH B  72
HIS B  75
1.12A23.70
 ZN  B 703 (-2.2A)
ZN  B 703 (-2.4A)
ZN  B 703 (-3.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CP4_A_CAMA416_0
(CYTOCHROME P450-CAM)		Camphor4 / 7
LEU A 438
VAL A 372
ASP A 374
VAL A 397
0.94A20.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		Zonisamide4 / 8
LEU A 461
CYH A 441
GLN A 404
TYR A 457
1.48A22.68
None
None
PO4  A 705 (-2.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Camphor4 / 8
LEU B 438
VAL B 372
ASP B 374
VAL B 397
0.90A20.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_A_SAMA302_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
THR A 410
ASP A 383
SER A 385
1.16A16.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HYY_A_STIA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 6
LEU B 455
VAL B 510
VAL B 533
ILE B 572
1.44A18.78
None