PDB ID: 6m0j


Macromolecule:
ACE2

Source Organism:
Homo sapiens

Gene names:
ACE2
UNQ868/PRO1885

UniProt ID:
Q9BYF1

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '6m0j'

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.
1RMT_C_ADNC1503_1
(CLASS B ACID
PHOSPHATASE)		Adenosine4 / 8
ASP E 405
TYR E 495
GLY E 502
TYR E 508
1.44A22.92
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		Quinine5 / 9
LEU A 240
THR A 229
VAL A 581
PHE A 523
LEU A 520
1.55A21.91
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.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		Warfarin5 / 12
ILE E 358
PHE E 515
ALA E 397
LEU E 368
LEU E 387
1.42A17.68
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.
2F9W_A_PAUA6001_0
(PANTOTHENATE KINASE)		Pantothenic acid5 / 11
TYR A  41
GLY A 352
ASP A 350
THR A 324
THR E 500
1.63A18.02
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.
4DUB_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT 9D7)		Dopamine4 / 6
ALA A 191
GLY A 104
LEU A 108
VAL A 107
1.13A23.97
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.
2PL0_A_STIA200_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK)		Imatinib5 / 12
ALA E 411
VAL E 510
ILE E 418
TYR E 380
ALA E 435
1.36A20.27
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.
5X19_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 4
TYR E 396
ARG E 357
THR E 393
LEU E 518
1.80A16.92
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.
3MSS_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 6
VAL A 573
VAL A 318
ILE A 407
ARG A 559
1.61A19.80
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.
5HG0_A_SAMA301_0
(PANTOTHENATE
SYNTHETASE)		S-Adenosylmethionine5 / 12
GLY E 502
GLN A 380
VAL A 316
GLY A 326
THR E 500
1.48A21.90
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.
3NXU_B_RITB600_1
(CYTOCHROME P450 3A4)		Ritonavir5 / 12
PHE A 523
LEU A 439
PHE A 588
PHE A 438
ALA A 412
1.50A21.55
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.
6HU9_N_PCFN606_0
(CYTOCHROME B)		Colfosceril palmitate5 / 12
PHE E 347
ALA E 348
TYR E 351
THR E 470
VAL E 510
1.77A22.34
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.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Memantine4 / 7
GLU E 484
LEU E 452
PHE E 490
ARG E 454
1.52A21.95
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.
3KP3_B_AICB2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		Ampicillin5 / 10
ASN A 397
THR A 517
LEU A 520
GLN A 524
ASN A 578
1.47A15.08
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.
2WD9_C_IBPC1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		Ibuprofen5 / 10
TRP A 275
LEU A 267
VAL A 487
GLY A 486
THR A 449
1.45A21.16
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.
4ZJ8_A_SUVA2001_2
(HUMAN OX1R FUSION
PROTEIN TO P.ABYSII
GLYCOGEN SYNTHASE)		Suvorexant4 / 6
TRP E 436
ILE E 434
ILE E 358
VAL E 395
1.35A18.44
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.
2F81_A_017A302_1
(POL POLYPROTEIN)		Darunavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.20A11.95
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.
2IEO_A_017A402_1
(PROTEASE)		Darunavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.15A12.18
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.
1LQT_B_ACTB1874_0
(FPRA)		Acetic acid4 / 5
TRP E 353
ALA E 348
PHE E 400
SER E 399
1.36A19.46
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.
3AI9_X_SAMX501_0
(UPF0217 PROTEIN
MJ1640)		S-Adenosylmethionine5 / 9
LEU A 116
ILE A 119
SER A 113
LEU A 108
SER A 109
1.47A17.13
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.
3P5N_A_RBFA190_1
(RIBOFLAVIN UPTAKE
PROTEIN)		Riboflavin5 / 12
LEU A 444
THR A 276
ASP A 269
GLY A 268
LEU A 281
1.42A16.46
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.
4DQH_B_017B101_2
(WILD-TYPE HIV-1
PROTEASE DIMER)		Darunavir5 / 10
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.22A12.64
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.
1A29_A_TFPA153_1
(CALMODULIN)		Trifluoperazine4 / 8
ILE E 434
LEU E 368
ALA E 397
VAL E 511
1.12A19.13
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.
2QD5_A_CHDA701_0
(FERROCHELATASE)		Cholic Acid4 / 8
PRO E 507
SER E 443
VAL E 503
GLY E 502
1.21A21.07
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.
5VLM_E_CVIE301_1
(REGULATORY PROTEIN
TETR)		Gentian Violet4 / 7
GLY A 352
GLN E 493
TYR E 453
ASP A  38
1.05A15.84
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.
4F4D_A_CHDA506_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 4
PRO A 451
LEU A 450
ILE A 446
ARG A 518
1.76A19.71
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.
4FU8_A_ACTA302_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		Acetic acid4 / 5
TYR E 449
GLN E 498
GLY E 447
SER E 443
1.53A22.47
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		Theophylline4 / 5
GLY E 504
THR E 376
VAL E 407
ASP E 405
1.59A21.63
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.
3AX7_B_SALB1336_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid5 / 9
GLU E 516
SER E 359
THR E 523
VAL E 524
ALA E 520
1.66A10.53
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.
3OZV_A_ECNA411_1
(FLAVOHEMOGLOBIN)		Econazole5 / 8
ILE A  88
GLN A  96
ALA A  99
LEU A  97
ILE A  21
1.25A20.13
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.
3U9F_N_CLMN221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol6 / 11
THR E 430
PHE E 429
SER E 514
VAL E 341
PHE E 338
VAL E 395
1.78A19.28
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.
5L66_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5
PROTEASOME SUBUNIT
BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA TYPE-6)		Bortezomib5 / 10
ALA A 550
THR A 548
SER A 547
ASP A 543
SER A 411
1.67A16.09
17.06
None
None
None
NAG  A 903 ( 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.
5BPH_B_ACTB404_0
(D-ALANINE--D-ALANINE
LIGASE)		Acetic acid4 / 7
TYR A 252
ARG A 161
GLY A 268
LEU A 266
1.62A18.36
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.
2JJ8_C_AZZC1211_1
(DEOXYNUCLEOSIDE
KINASE)		Zidovudine5 / 12
ILE A 544
VAL A 404
LEU A 558
ALA A 311
PHE A 314
1.39A17.15
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.
5ZWR_A_9KLA402_0
(EST-Y29)		Dexketoprofen5 / 12
PHE E 338
ILE E 358
LEU E 513
GLY E 526
LEU E 387
1.64A18.21
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.
1Q23_I_FUAI707_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid5 / 11
THR E 385
PHE E 515
LEU E 513
VAL E 511
PHE E 342
1.54A19.28
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.
1UW6_F_NCTF1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		Nicotine5 / 10
TRP A 459
TYR A 180
CYH A 498
TRP A 473
MET A 474
1.51A16.24
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.
1UW6_K_NCTK1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		Nicotine5 / 9
TRP A 459
TYR A 180
CYH A 498
TRP A 473
MET A 474
1.54A16.24
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.
5MZR_E_PFLE409_1
(PROTON-GATED ION
CHANNEL)		Propofol4 / 8
ILE E 410
VAL E 407
THR E 376
ILE E 434
1.04A21.58
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.
4DQE_B_017B101_2
(ASPARTYL PROTEASE)		Darunavir5 / 10
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.23A12.87
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.
6DHB_A_BEZA202_0
(HEPATITIS A VIRUS
CELLULAR RECEPTOR 2)		Benzoic Acid4 / 6
PHE E 464
ARG E 355
ILE E 410
ASP E 398
1.69A19.91
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.
4A99_B_MIYB391_1
(TETX2 PROTEIN)		Minocycline5 / 11
PHE A 327
ASN A 322
GLY A 326
SER A 331
GLY A 377
1.59A20.36
None
NAG  A 904 (-1.9A)
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.
3GYQ_A_SAMA270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 142
GLY A 130
ILE A 151
MET A 152
ARG A 169
1.63A16.89
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.
4J6D_A_TESA503_1
(CYTOCHROME P450
MONOOXYGENASE)		Testosterone5 / 12
MET A 408
PHE A 314
PHE A 315
ALA A 311
ALA A 372
1.47A22.82
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.
5WEA_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
LEU E 455
TYR E 489
LYS A  31
GLU E 484
1.79A14.65
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		Diazoxide4 / 7
TYR E 451
PHE E 347
SER E 438
ARG E 509
1.53A20.51
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.
5ZW4_A_SAMA302_1
(PUTATIVE
O-METHYLTRANSFERASE
YRRM)		S-Adenosylmethionine4 / 6
SER E 469
ARG E 355
ASP E 398
ASP E 467
1.69A22.40
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.
6D8P_A_ACTA814_0
(UNCHARACTERIZED
PROTEIN)		Acetic acid4 / 5
TYR A 279
ASN A 277
THR A 276
LEU A 444
1.78A21.41
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.
5NWU_A_ACAA18_1
(WTFP-TAG,GP41)		Aminocaproic Acid5 / 12
GLY A 104
SER A 106
ASN A 188
LEU A 116
GLU A 182
1.63A5.13
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.
6F3M_A_ADNA502_2
(-)		Adenosine4 / 4
GLN E 498
THR E 500
THR A  52
LEU A 351
1.47A19.09
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.
1OLT_A_SAMA501_0
(OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE)		S-Adenosylmethionine5 / 12
ASP A 198
GLY A 200
ARG A 204
ILE A 513
TYR A 516
1.47A20.36
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.
4XDT_A_ACTA409_0
(FAD:PROTEIN FMN
TRANSFERASE)		Acetic acid4 / 5
ILE E 358
VAL E 395
VAL E 524
THR E 523
1.40A22.97
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.
4MM4_A_8PRA603_1
(TRANSPORTER)		Paroxetine5 / 12
ALA E 419
TYR E 423
PHE E 429
GLY E 413
ASP E 398
1.46A17.41
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.
2Q6H_A_CXXA801_1
(TRANSPORTER)		Clomipramine5 / 11
LEU A 418
LEU A 424
ILE A 291
PHE A 428
ASP A 431
1.45A21.32
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.
2XZ5_B_ACHB1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Acetylcholine4 / 8
SER A 409
GLN A 380
GLN A 526
ILE A 544
1.24A16.64
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.
1RNR_B_DAHB208_1
(RIBONUCLEOTIDE
REDUCTASE R1 PROTEIN)		Levodopa5 / 12
TYR E 495
ARG E 454
TYR E 423
PHE E 400
ILE E 402
1.75A18.51
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.
5BVW_A_1N1A1009_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Dasatinib5 / 12
LYS A 541
GLU A 435
ILE A 291
GLY A 422
LEU A 424
1.29A17.91
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.
5NZX_A_9F2A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		Ceftriaxone4 / 8
ASN E 422
PHE E 400
ILE E 402
GLY E 404
1.24A19.55
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		Riluzole5 / 10
LEU A 320
VAL A 316
LEU A 554
GLU A 549
ILE A 544
1.58A11.44
13.40
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.
5JWA_H_ACTH614_0
(NADH DEHYDROGENASE,
PUTATIVE)		Acetic acid4 / 6
ILE A 151
VAL A 132
TRP A 163
SER A 167
1.30A22.72
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.
3EM6_A_017A200_1
(PROTEASE)		Darunavir5 / 8
GLY E 413
ASP E 427
ASP E 428
LEU E 461
VAL E 512
1.41A22.17
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.
5PHH_A_LDPA414_1
(LYSINE-SPECIFIC
DEMETHYLASE 4D)		Dopamine4 / 6
ARG A 460
ALA A 501
LEU A 503
SER A 507
1.24A19.94
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		Acetylsalicylic acid3 / 3
LEU A 144
ALA A 164
ILE A 151
1.04A11.83
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.
5IMS_A_ACTA708_0
(ACETOLACTATE
SYNTHASE CATALYTIC
SUBUNIT,
MITOCHONDRIAL)		Acetic acid3 / 3
GLY E 447
GLY E 446
GLN A  42
0.91A16.42
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.
4UYM_A_VORA590_1
(14-ALPHA STEROL
DEMETHYLASE)		Voriconazole4 / 7
PHE E 338
SER E 514
LEU E 387
PHE E 515
1.25A18.66
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_G_BEZG513_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		Benzoic Acid4 / 5
PHE E 456
ILE E 472
PRO E 491
GLU E 484
1.70A20.54
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.
5KKL_B_SAMB8009_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN,HISTONE H3.1
PEPTIDE,ZINC FINGER
DOMAIN-CONTAINING
PROTEIN)		S-Adenosylmethionine5 / 12
LEU E 387
GLY E 431
TYR E 396
PHE E 342
LEU E 368
1.58A13.48
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.
5I73_A_68PA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Citalopram5 / 9
GLN A  96
PHE A  32
GLU A  37
LEU A  73
PHE A  40
1.66A21.38
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		Argatroban5 / 12
TYR E 423
TRP E 353
LEU E 425
GLY E 431
GLY E 381
1.75A20.60
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.
3S79_A_ASDA601_1
(CYTOCHROME P450 19A1)		4-Androstenedione5 / 12
PHE E 377
ILE E 410
ALA E 411
LEU E 387
LEU E 513
1.35A18.45
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 395
GLY A 561
LEU A 392
ASN A 397
ALA A 396
1.46A17.71
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.
1PBC_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)		Aminosalicylic Acid5 / 10
GLY A 405
VAL A 404
LEU A 554
LEU A 529
ALA A 403
1.35A21.00
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.
1X7P_B_SAMB302_0
(RRNA
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 10
ARG A 393
THR A 324
GLY E 502
GLY E 504
ILE A 379
1.32A19.26
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.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		Nintedanib5 / 12
ALA A 413
LEU A 423
GLU A 375
MET A 360
ASN A 290
1.37A19.90
None
None
ZN  A 901 (-3.9A)
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.
4D39_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		Mannitol4 / 7
SER E 359
ARG E 357
ILE E 358
ASN E 360
1.18A21.24
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_C_STIC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Imatinib6 / 12
TYR E 365
GLU E 340
VAL E 511
PHE E 377
LEU E 513
ALA E 397
1.72A20.36
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.
4L4C_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor5 / 8
PHE E 400
TYR E 423
LEU E 425
VAL E 433
ILE E 402
1.74A20.71
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.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Memantine4 / 6
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.64A21.95
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.
3JX5_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
VAL A 581
VAL A 226
PHE A 230
GLU A 232
1.71A22.44
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.
3U9F_I_CLMI221_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
THR E 430
PHE E 429
VAL E 341
PHE E 338
VAL E 395
1.45A19.28
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		Sulfamethoxazole4 / 8
THR A 453
PRO A 451
PHE A 452
LYS A 481
1.38A18.92
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.
3AX7_A_SALA1336_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid5 / 8
GLU E 516
SER E 359
THR E 523
VAL E 524
ALA E 520
1.63A10.53
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.
5UC3_B_486B801_1
(GLUCOCORTICOID
RECEPTOR)		Mifepristone5 / 12
LEU E 390
GLY E 526
VAL E 362
PHE E 392
LEU E 513
1.65A22.73
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.
2X45_B_HSMB1160_1
(ALLERGEN ARG R 1)		Histamine4 / 7
TYR A 199
VAL A 184
ILE A 119
ASP A 509
1.44A13.61
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		Acarbose5 / 12
LEU A 418
LEU A 423
ASP A 292
ASP A 367
ASP A 368
1.50A22.01
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.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		Fludarabine5 / 12
GLY E 502
GLY A 354
PHE A 356
ALA A 387
ASP E 405
1.72A21.05
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.
4JDS_D_SAMD401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		S-Adenosylmethionine5 / 11
ILE A 151
ALA A 164
GLU A 166
GLY A 130
GLU A 150
1.54A18.81
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.
5ACL_A_SASA1111_1
(MCG)		Sulfasalazine4 / 7
TYR A 385
GLU A 564
PRO A 389
PHE A 400
1.73A11.68
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.
4OR0_B_NPSB602_1
(SERUM ALBUMIN)		Naproxen5 / 9
ARG A 169
ALA A 264
LEU A 503
LEU A 267
LEU A 266
1.66A20.92
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.
4JBT_A_ASDA501_1
(CYTOCHROME P450
MONOOXYGENASE)		4-Androstenedione5 / 12
MET A 408
PHE A 314
PHE A 315
ALA A 311
ALA A 372
1.49A22.82
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.
4XJ7_D_ADND303_1
(5'/3'-NUCLEOTIDASE
SURE)		Adenosine5 / 10
LEU A 529
GLY A 551
ASN A 556
ALA A 403
ILE A 407
1.48A18.06
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.
3U9F_A_CLMA221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 9
THR E 430
PHE E 429
SER E 514
PHE E 338
VAL E 395
1.66A19.28
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.
3CLB_B_TMQB612_1
(DHFR-TS)		Trimetrexate5 / 12
ALA E 352
PHE E 400
PRO E 426
PHE E 429
ILE E 418
1.58A16.83
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.
5AXD_A_RBVA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Ribavirin3 / 3
THR A 445
HIS A 417
LEU A 370
1.29A21.44
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.
2HS2_A_017A201_2
(PROTEASE)		Darunavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.21A12.18
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.
5I9X_A_DB8A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		Bosutinib5 / 12
THR A 122
GLY A 173
GLU A 166
LEU A 176
SER A 507
1.45A20.11
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.
1HK1_A_T44A3004_1
(SERUM ALBUMIN)		Levothyroxine4 / 6
PHE E 464
PHE E 429
LEU E 513
VAL E 511
1.34A16.97
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.
4J83_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		S-Adenosylmethionine5 / 11
ILE A 151
ALA A 164
GLU A 166
GLY A 272
GLU A 150
1.61A18.14
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.
3TKW_B_017B401_2
(PROTEASE)		Darunavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.21A14.75
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.
3R9C_A_ECLA451_1
(CYTOCHROME P450
164A2)		Econazole5 / 10
LEU A  95
LEU A 560
ALA A 396
VAL A 209
VAL A 212
1.28A22.68
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Haloperidol5 / 12
TYR A 127
LEU A 144
PHE A 274
THR A 453
LEU A 176
1.40A17.85
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.
3A51_B_VDYB6178_1
(VITAMIN D
HYDROXYLASE)		Calcidiol5 / 12
LEU A 262
ASN A 250
THR A 445
VAL A 447
LEU A 240
1.56A22.06
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.
5EEW_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 377
HIS A 374
ALA A 348
HIS A 373
ILE A 379
1.66A9.88
None
ZN  A 901 (-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.
3U9F_F_CLMF221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
THR E 430
SER E 514
VAL E 341
PHE E 338
VAL E 395
1.59A19.28
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.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Didanosine5 / 10
GLY A 130
GLU A 171
VAL A 172
THR A 129
VAL A 132
1.60A19.93
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.
5E26_D_PAUD601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		Pantothenic acid5 / 8
ALA A 386
GLU A  37
GLY A 354
ARG E 403
GLY E 504
1.39A19.11
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.
1HK2_A_T44A3002_1
(SERUM ALBUMIN)		Levothyroxine4 / 8
LEU A 267
LEU A 248
LEU A 156
SER A 280
1.12A21.01
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.
1NBH_B_SAMB1293_1
(GLYCINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
TRP A 349
ASP A 355
ASN E 501
SER A  44
1.59A17.92
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.
4EM2_A_SALA503_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)		Salicylic acid4 / 6
ARG E 457
LYS E 417
ILE E 418
VAL E 350
1.37A19.20
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.
4QMZ_A_B49A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		Sunitinib5 / 12
ILE E 358
VAL E 395
ALA E 397
GLY E 339
LEU E 368
1.23A24.37
None
None
None
NAG  E 601 (-3.6A)
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.
3RF4_A_FUNA201_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)		Furosemide5 / 11
PRO A 415
VAL A 293
PHE A 369
HIS A 417
ILE A 421
1.65A13.11
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.
3OU6_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 444
GLY A 268
TRP A 165
LEU A 248
ALA A 264
1.40A15.64
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.
3AX9_A_SALA1341_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid5 / 8
GLU E 516
SER E 359
THR E 523
VAL E 524
ALA E 520
1.65A10.53
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.
5EYP_B_LOCB502_2
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU A 320
LEU A 554
ILE A 544
ALA A 533
ILE A 407
1.26A21.60
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.
5IFU_B_GBMB801_1
(PROLINE--TRNA LIGASE)		Glyburide5 / 9
ILE A 223
LEU A 222
GLU A 457
ARG A 460
GLY A 200
1.56A21.03
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.
6DH0_A_017A101_0
(PROTEASE)		Darunavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.22A13.36
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.
5JKV_A_ASDA602_1
(AROMATASE)		4-Androstenedione5 / 12
PHE E 377
ILE E 410
ALA E 411
LEU E 387
LEU E 513
1.34A18.45
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		Ergocalciferol3 / 3
LEU A  97
GLU A  22
ILE A  21
0.88A21.97
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.
6CDU_D_EY4D500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		Alfaxalone4 / 7
ILE E 418
GLN E 409
VAL E 407
ALA E 435
1.23A20.12
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.
1RNR_B_DAHB208_1
(RIBONUCLEOTIDE
REDUCTASE R1 PROTEIN)		Levodopa5 / 12
HIS A  34
TYR E 453
GLU A  35
TYR E 489
PHE E 456
1.70A21.18
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.
6EBP_A_DAHA123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		Levodopa5 / 9
LEU E 368
GLY E 431
PHE E 515
PHE E 342
ILE E 434
1.58A20.39
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.
3NXU_A_RITA600_2
(CYTOCHROME P450 3A4)		Ritonavir4 / 7
LEU A 222
THR A 453
THR A 567
ARG A 518
1.18A21.55
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.
3D91_A_REMA350_2
(RENIN)		Remikiren4 / 5
TYR E 423
ALA E 348
ALA E 435
TYR E 508
1.69A20.92
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.
3PGH_A_FLPA701_1
(CYCLOOXYGENASE-2)		Flurbiprofen6 / 12
VAL E 362
VAL E 367
LEU E 368
TYR E 365
GLY E 339
LEU E 335
1.72A16.09
None
None
None
None
NAG  E 601 (-3.6A)
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.
3RAE_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		Levofloxacin3 / 4
SER A 331
GLY A 377
GLU A 406
0.93A20.22
17.70
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.
5TWJ_A_SAMA201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		S-Adenosylmethionine6 / 12
LEU E 513
GLY E 431
GLY E 381
LEU E 368
SER E 366
THR E 385
1.75A19.41
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.
4NKX_B_STRB601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Progesterone4 / 5
ILE A 291
LEU A 418
ASP A 367
VAL A 298
1.31A21.25
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.
3UCB_A_017A201_1
(PROTEASE)		Darunavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.19A8.82
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.
3NV6_A_CAMA422_0
(CYTOCHROME P450)		Camphor3 / 3
GLY E 339
ILE E 434
VAL E 511
0.73A18.60
NAG  E 601 (-3.6A)
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.
1Q23_B_FUAB703_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid5 / 12
THR E 385
PHE E 515
LEU E 513
VAL E 511
PHE E 342
1.57A19.28
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.
5HBS_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		Vitamin A4 / 8
LEU A 584
THR A 229
TYR A 454
GLN A 221
1.44A12.42
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.
1J96_A_TESA903_1
(3ALPHA-HYDROXYSTEROI
D DEHYDROGENASE TYPE
3)		Testosterone4 / 6
TYR E 489
VAL A  93
ILE A  88
LEU A  79
1.62A22.42
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.
6A94_A_ZOTA3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		Zotepine5 / 12
LEU E 387
VAL E 382
GLY E 381
PHE E 464
VAL E 395
1.48A18.11
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.
4Q1X_A_017A101_1
(ASPARTYL PROTEASE)		Darunavir5 / 11
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.24A12.21
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.
5HWC_A_FK5A201_1
(FK506-BINDING
PROTEIN 1A)		Tacrolimus5 / 11
TYR E 423
ASP E 398
VAL E 407
ILE E 402
PHE E 347
1.70A24.14
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.
5VLM_G_CVIG301_1
(REGULATORY PROTEIN
TETR)		Gentian Violet4 / 7
GLY A 352
GLN E 493
TYR E 453
ASP A  38
1.10A15.84
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.
1DHF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid6 / 12
ILE A 358
ALA A 348
PHE A 356
PHE A 327
PRO A 321
ASN A 322
1.75A15.09
None
None
None
None
None
NAG  A 904 (-1.9A)
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.
4W5N_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
LEU E 513
ILE E 434
LEU E 368
TYR E 365
1.54A14.65
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.
4J7X_B_SASB804_1
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine5 / 12
SER A 502
LEU A 503
PHE A 452
ALA A 264
GLY A 268
1.43A21.35
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.
5NKN_A_LOCA201_1
(NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN)		Colchicine5 / 12
GLY A 399
PHE A 400
PHE A 525
THR A 567
TYR A 215
1.78A15.37
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.
1Q97_B_ADNB486_1
(SR PROTEIN KINASE)		Adenosine4 / 4
VAL E 524
ALA E 522
LEU E 517
PHE E 392
1.78A19.25
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.
5FA8_A_SAMA301_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine3 / 3
THR A 496
ASP A 499
GLU A 489
1.49A13.43
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.
4L49_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 5
PHE E 400
TYR E 423
LEU E 425
VAL E 433
1.66A20.48
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.
5DZK_P_BEZP801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid4 / 6
SER A 167
ALA A 164
MET A 270
LEU A 142
1.57A15.89
1.60
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.
2BXE_B_1FLB2003_1
(SERUM ALBUMIN)		Diflunisal5 / 10
TYR A 237
LEU A 248
LEU A 262
HIS A 241
LEU A 267
1.51A20.54
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.
2M56_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 5
PHE E 464
TYR E 423
VAL E 433
VAL E 395
1.60A19.70
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.
5VLM_B_CVIB301_1
(REGULATORY PROTEIN
TETR)		Gentian Violet4 / 8
GLY A 352
GLN E 493
TYR E 453
ASP A  38
1.05A15.84
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.
3EM0_B_CHDB153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid4 / 7
ILE E 410
PHE E 342
PHE E 374
GLY E 404
1.06A22.12
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.
5W4Z_A_RBFA502_2
(RIBOFLAVIN LYASE)		Riboflavin4 / 5
ASN E 448
ASP E 442
SER E 438
ARG E 509
1.67A17.16
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.
4AC0_A_MIYA1204_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0)		Minocycline5 / 12
PHE A 390
GLN A 388
LEU A 392
GLN A  96
LEU A  91
1.69A15.50
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.
3UG8_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		Indomethacin3 / 3
TYR E 423
GLU E 406
TYR E 453
1.75A23.88
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.
2HYY_A_STIA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 6
LEU A 262
VAL A 226
ILE A 484
ARG A 514
1.24A18.72
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.
5EF1_G_TRPG101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 377
HIS A 374
ALA A 348
HIS A 373
ILE A 379
1.65A9.88
None
ZN  A 901 (-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.
6DJZ_B_GMJB301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Haloperidol5 / 12
TYR A 127
LEU A 144
PHE A 274
THR A 453
LEU A 176
1.54A17.85
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.
3RGF_A_BAXA465_1
(CYCLIN-DEPENDENT
KINASE 8)		Sorafenib5 / 12
LEU E 368
ILE E 434
PHE E 374
TYR E 508
LEU E 387
1.56A17.54
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.
5DV4_A_NMYA601_1
(CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT
6-LIKE)		Framycetin5 / 12
LEU A 148
HIS A 493
LYS A 481
ASP A 499
LEU A 456
1.63A22.11
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.
3DZY_D_BRLD478_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone4 / 4
ILE A 358
GLN A 380
ILE A 307
LEU A 558
1.59A22.40
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.
3KP6_A_SALA3005_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		Salicylic acid4 / 8
ASN A 508
LEU A 503
ALA A 501
SER A 502
1.39A15.08
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.
4GCP_A_AICA401_1
(OUTER MEMBRANE
PROTEIN F)		Ampicillin5 / 9
TYR A 199
GLY A 200
PHE A 464
ASP A 509
TYR A 510
1.77A19.12
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.
6MDQ_A_TESA604_0
(SERUM ALBUMIN)		Testosterone5 / 8
ARG E 355
ALA E 397
GLY E 431
LEU E 513
GLU E 516
1.53A16.41
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.
4TWD_C_377C402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Memantine4 / 5
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.68A21.95
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.
4DQF_B_017B101_2
(ASPARTYL PROTEASE)		Darunavir5 / 10
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.29A12.87
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.
5EF0_G_TRPG101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 377
HIS A 374
ALA A 348
HIS A 373
ILE A 379
1.65A9.88
None
ZN  A 901 (-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.
5UMW_B_RBFB201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		Riboflavin4 / 7
VAL E 350
ARG E 403
TYR E 495
GLU E 406
1.76A20.75
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.
2AVV_E_MK1E902_3
(POL POLYPROTEIN)		Indinavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.22A10.16
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.
4D33_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		Mannitol4 / 7
ASN A 437
GLU A 435
ILE A 436
ASP A 431
1.56A22.17
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.
1RJD_A_SAMA801_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		S-Adenosylmethionine4 / 6
ARG A 482
ASP A 157
ASN A 159
GLU A 489
1.59A21.21
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.
1MRQ_A_STRA501_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)		Progesterone5 / 11
TYR A 243
LEU A 240
VAL A 447
LEU A 248
LEU A 262
1.60A20.00
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.
1UWJ_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib5 / 12
VAL E 524
ALA E 363
LEU E 513
LEU E 425
GLY E 431
1.56A20.21
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.
4CP4_A_CAMA416_0
(CYTOCHROME P450-CAM)		Camphor4 / 7
TYR A 158
LEU A 162
VAL A 488
VAL A 487
1.46A20.39
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_F_EZLF302_1
(ALPHA-CARBONIC
ANHYDRASE)		Ethoxzolamide4 / 8
HIS A 345
VAL A 343
LEU A 359
THR A 347
1.29A16.97
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.
3LZV_A_017A200_1
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.23A12.21
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.
3NVK_I_SAMI228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		S-Adenosylmethionine5 / 12
GLY A 352
ASP A  38
ASP A 355
GLN E 498
GLU A 329
1.52A16.50
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.
3U9F_C_CLMC221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 11
THR E 430
PHE E 429
SER E 514
VAL E 341
PHE E 338
1.66A19.28
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.
3JX3_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
VAL A 581
VAL A 226
PHE A 230
GLU A 232
1.71A22.44
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.
5BW4_A_SAMA301_0
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ASP E 398
ARG E 355
ILE E 410
LEU E 461
LEU E 425
1.41A16.48
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.
6APH_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
GLN E 498
THR E 500
THR A  52
LEU A 351
1.45A18.34
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.
3C6G_B_VD3B700_1
(CYTOCHROME P450 2R1)		Cholecalciferol5 / 12
LEU E 425
VAL E 395
GLY E 431
THR E 376
VAL E 407
1.51A20.08
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.
3T7S_A_SAMA300_0
(PUTATIVE
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ARG E 403
GLY E 502
PHE A 327
SER A 331
GLU A  37
1.73A19.41
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.
3N8Z_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen6 / 12
VAL E 362
VAL E 367
LEU E 368
TYR E 365
GLY E 339
LEU E 335
1.77A19.21
None
None
None
None
NAG  E 601 (-3.6A)
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.
5BW4_B_SAMB301_1
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
ASP E 405
GLU A  37
SER E 375
1.52A16.48
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.
6NMP_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
LEU A 554
GLN A 380
PHE A 555
PHE A 400
1.48A17.00
7.63
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.
5SXQ_A_NIZA808_1
(CATALASE-PEROXIDASE)		Isoniazid4 / 8
VAL A 487
GLY A 268
LEU A 278
THR A 276
1.24A21.14
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.
2QD2_A_CHDA2_0
(FERROCHELATASE)		Cholic Acid4 / 8
MET A 123
LEU A 120
ARG A 460
SER A 128
1.64A19.71
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.
4RZ7_A_1E8A901_1
(CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE)		Ibrutinib5 / 10
ILE E 358
ALA E 397
ILE E 434
PHE E 429
LEU E 368
1.50A14.39
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.
4Q1Y_A_017A106_1
(ASPARTYL PROTEASE)		Darunavir5 / 10
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.26A13.59
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.
5L1F_D_6ZPD902_1
(GLUTAMATE RECEPTOR 2)		Perampanel5 / 10
SER E 438
ASP E 442
TYR E 495
ASN E 450
PHE E 347
1.27A14.59
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.
3VWP_A_ACAA503_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		Aminocaproic Acid5 / 10
ALA A 246
ASP A 597
TRP A 594
SER A 602
ASN A 599
1.77A20.76
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.
3OY4_B_017B200_2
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.25A11.98
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.
1RLB_F_REAF177_1
(RETINOL BINDING
PROTEIN)		Tretinoin5 / 11
ALA A 443
VAL A 244
LEU A 248
TYR A 279
LEU A 278
1.29A14.68
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.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 12
SER A 105
SER A 113
ASN A 117
SER A 106
GLY A 104
1.73A18.48
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.
4QVL_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 10
THR A 371
GLN A 526
ALA A 372
ALA A 412
ASP A 543
1.69A16.69
16.58
None
None
None
None
NAG  A 903 ( 4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KRH_A_SAMA900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		S-Adenosylmethionine5 / 12
PHE E 400
TYR E 495
GLY E 404
ALA E 435
ILE E 410
1.32A20.23
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.
3NU5_B_478B401_1
(PROTEASE)		Amprenavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.18A13.33
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.
5VEU_H_RITH602_1
(CYTOCHROME P450 3A5)		Ritonavir6 / 12
SER A 420
GLY A 319
ILE A 421
PHE A 314
ALA A 412
GLY A 551
1.66A22.86
NAG  A 903 (-2.8A)
None
None
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.
2EJF_B_ADNB2002_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		Adenosine4 / 6
ARG E 357
GLU E 340
ASN E 334
PRO E 337
1.68A21.43
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.
4K36_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		S-Adenosylmethionine5 / 12
TYR E 451
ASN E 354
SER E 399
VAL E 401
LEU E 441
1.69A23.48
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.
2BXE_A_1FLA2003_1
(SERUM ALBUMIN)		Diflunisal5 / 9
TYR A 237
LEU A 248
LEU A 262
HIS A 241
LEU A 267
1.49A20.54
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.
1MSK_A_SAMA1301_0
(COBALAMIN-DEPENDENT
METHIONINE SYNTHASE)		S-Adenosylmethionine5 / 10
ARG A 393
GLU A  37
ARG E 403
PRO E 507
PRO E 499
1.70A20.30
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.
5EEY_G_TRPG101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 377
HIS A 374
ALA A 348
HIS A 373
ILE A 379
1.66A9.88
None
ZN  A 901 (-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.
4YMG_B_SAMB1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		S-Adenosylmethionine5 / 12
GLY A 104
SER A  77
SER A 113
ALA A 191
TYR A 202
1.66A19.03
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.
4IQQ_D_D16D402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
TYR A 207
ILE A 513
GLY A 200
TYR A 183
1.19A20.24
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.
5EEV_G_TRPG101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 377
HIS A 374
ALA A 348
HIS A 373
ILE A 379
1.66A9.88
None
ZN  A 901 (-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.
1BRP_A_RTLA183_0
(RETINOL BINDING
PROTEIN)		Vitamin A5 / 12
PHE E 464
GLY E 431
PHE E 429
LEU E 368
PHE E 400
1.60A19.59
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.
5SXT_A_NIZA807_1
(CATALASE-PEROXIDASE)		Isoniazid4 / 8
VAL A 487
GLY A 268
LEU A 278
THR A 276
1.24A21.01
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 320
ALA A 550
VAL A 404
ILE A 407
1.05A21.12
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.
3NU3_B_478B401_1
(PROTEASE)		Amprenavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.26A12.18
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.
1JKH_A_EFZA999_1
(HIV-1 RT, A-CHAIN
HIV-1 RT, B-CHAIN)		Efavirenz5 / 11
LEU A 539
GLY A 537
LEU A 410
TYR A 587
GLU A 527
1.70A21.94
20.39
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.
4KT0_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 11
PHE A 315
GLY A 319
ALA A 550
LEU A 554
ILE A 446
1.29A21.33
4.31
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.
4A99_A_MIYA391_1
(TETX2 PROTEIN)		Minocycline5 / 10
PHE A 327
ASN A 322
GLY A 326
SER A 331
GLY A 377
1.56A20.36
None
NAG  A 904 (-1.9A)
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.
6IFT_A_SAMA301_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A)		S-Adenosylmethionine5 / 12
GLU A 398
ILE A 513
GLY A 205
ILE A 223
VAL A 226
1.30A18.61
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		Diazoxide4 / 8
PHE E 347
SER E 438
ARG E 509
TYR E 451
1.56A20.51
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.
2ZAX_A_CAMA422_0
(CYTOCHROME P450-CAM)		Camphor4 / 7
PHE A 523
LEU A 450
VAL A 447
THR A 445
1.46A20.19
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.
1SQF_A_SAMA430_0
(SUN PROTEIN)		S-Adenosylmethionine5 / 12
GLY E 404
GLY E 504
ASP E 442
GLY E 447
PRO E 499
1.51A18.69
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.
3MS9_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 6
VAL A 573
VAL A 318
ILE A 407
ARG A 559
1.61A19.80
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_D_017D200_1
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.17A12.44
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		Isoprenaline5 / 12
ASP A 382
SER A  44
PHE A  40
ASN A 394
TYR A 385
1.54A19.73
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.
1RU9_H_ACTH611_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		Acetic acid4 / 6
LEU E 368
ASN E 388
LEU E 387
PHE E 515
1.60A23.22
24.30
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.
3KL3_A_DHIA403_0
(GLUCURONOXYLANASE
XYNC)		L-Histidine4 / 4
GLY E 447
TYR E 449
GLY E 496
ASP A  38
1.37A22.41
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.
2YA7_A_ZMRA1776_2
(NEURAMINIDASE A)		Zanamivir4 / 6
ARG A 177
ILE A 119
LEU A 116
TYR A 199
1.46A21.81
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.
1RA8_A_FOLA161_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
ASP A 350
LYS A 353
ARG E 403
1.61A14.10
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.
4LG1_A_SAMA301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		S-Adenosylmethionine5 / 12
ALA A 569
GLY A 399
ALA A 396
TYR A 207
GLU A 457
1.48A16.72
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.
2Y7J_A_B49A1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		Sunitinib5 / 12
ILE E 358
VAL E 395
ALA E 397
ILE E 434
LEU E 368
1.31A19.51
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.
6A94_A_ZOTA3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		Zotepine6 / 12
SER A 411
VAL A 404
GLY A 405
SER A 409
PHE A 315
VAL A 318
1.75A20.61
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.
1LQU_B_ACTB1431_0
(FPRA)		Acetic acid4 / 5
TRP E 353
ALA E 348
PHE E 400
SER E 399
1.34A19.46
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.
2IEN_B_017B402_1
(PROTEASE)		Darunavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.18A12.18
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.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		Cefoxitin5 / 12
ALA A  65
SER A  43
ASN A  49
ASN A  61
GLY A  66
1.70A18.85
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.
4UHX_A_LZUA3008_1
(ALDEHYDE OXIDASE)		Thioridazine4 / 8
GLU A 110
ASP A 111
SER A 113
ARG A 115
1.23A18.56
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.
3N8Y_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Diclofenac5 / 11
LEU A 584
TYR A 587
ILE A 446
GLY A 448
ALA A 443
1.39A21.32
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.
3O14_A_NIOA300_1
(ANTI-ECFSIGMA
FACTOR, CHRR)		Niacin4 / 7
ALA E 397
VAL E 524
VAL E 395
LEU E 513
1.26A21.34
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.
5VLM_G_CVIG301_1
(REGULATORY PROTEIN
TETR)		Gentian Violet4 / 7
GLY E 504
GLN E 493
TYR E 453
TYR A  41
1.42A20.00
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.
5EEY_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 377
HIS A 374
ALA A 348
HIS A 373
ILE A 379
1.67A9.88
None
ZN  A 901 (-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.
3PWM_B_017B402_1
(PROTEASE)		Darunavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.24A13.53
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.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)		N-Acetyl-D-glucosamine4 / 5
LEU A 240
TYR A 243
LEU A 595
THR A 282
1.47A19.90
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.
1KIJ_B_NOVB444_2
(DNA GYRASE SUBUNIT B)		Novobiocin3 / 3
ASP E 398
PHE E 429
VAL E 433
1.34A21.13
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.
3U9F_S_CLMS221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol6 / 12
THR E 430
PHE E 429
SER E 514
VAL E 341
PHE E 338
VAL E 395
1.69A19.28
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.
4XJ7_A_ADNA303_1
(5'/3'-NUCLEOTIDASE
SURE)		Adenosine5 / 10
GLY A 551
ASN A 556
ALA A 403
ILE A 407
LEU A 529
1.48A18.06
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Metocurine4 / 6
GLN E 493
TYR E 453
GLN E 409
ILE E 418
1.56A22.80
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.
5EF3_G_TRPG101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 377
HIS A 374
ALA A 348
HIS A 373
ILE A 379
1.66A9.88
None
ZN  A 901 (-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.
4M51_A_BEZA501_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		Benzoic Acid4 / 6
ILE A 421
ILE A 291
PHE A 369
LEU A 370
1.45A22.82
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.
1Q8J_B_C2FB802_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		Levomefolic acid5 / 12
GLY E 404
ASP A  38
GLY E 447
SER E 443
ASN E 448
1.48A18.08
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.
5EEV_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 377
HIS A 374
ALA A 348
HIS A 373
ILE A 379
1.67A9.88
None
ZN  A 901 (-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.
2Y7W_C_SALC1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		Salicylic acid4 / 7
THR A 362
ILE A 307
PHE A 327
ILE A 358
1.22A18.57
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.
5EEU_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 9
GLY A 377
HIS A 374
ALA A 348
HIS A 373
ILE A 379
1.66A9.88
None
ZN  A 901 (-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.
3IK3_A_0LIA1_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Ponatinib4 / 7
LEU A 262
VAL A 226
ILE A 484
ARG A 514
1.23A19.13
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.
3U5K_B_08JB2_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		Midazolam4 / 7
PRO A 135
VAL A 132
LEU A 142
LEU A 148
1.24A11.77
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.
2F81_A_017A302_2
(POL POLYPROTEIN)		Darunavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.29A11.95
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.
4KM2_A_TOPA202_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 12
THR A 414
LEU A 418
VAL A 293
TYR A 587
THR A 445
1.39A15.71
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.
6EBP_B_DAHB123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		Levodopa5 / 10
LEU E 368
GLY E 431
PHE E 515
PHE E 342
ILE E 434
1.54A20.39
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.
4R20_A_AERA602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		Abiraterone4 / 8
ALA A 384
ILE A 407
GLY A 377
VAL A 316
1.03A21.42
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.
4G5J_A_0WMA1102_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Afatinib4 / 7
PHE A 452
ILE A 513
TYR A 515
HIS A 505
1.31A19.90
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.
4RJD_B_TFPB204_1
(CALMODULIN)		Trifluoperazine4 / 8
GLY A 405
GLU A 402
GLU A 375
ALA A 372
1.11A8.43
None
ZN  A 901 (-2.4A)
ZN  A 901 (-3.9A)
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.
6MB5_A_NMYA301_0
(AAC(3)-IIIB PROTEIN)		Framycetin5 / 11
ASN A 437
TYR A 587
ASP A 431
THR A 434
HIS A 540
1.65A19.87
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.
2Q0I_A_BEZA990_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)		Benzoic Acid4 / 8
ASP A 382
GLU A 402
HIS A 401
HIS A 374
1.27A18.71
None
ZN  A 901 (-2.4A)
None
ZN  A 901 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 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 572
LEU A 529
PHE A 555
1.12A22.20
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.
5AQY_A_ADNA1389_1
(HEAT SHOCK 70 KDA
PROTEIN 1A)		Adenosine5 / 10
GLY E 502
GLY A 354
ARG A 357
GLY A 326
ILE A 379
1.19A20.91
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.
4FGK_A_0TXA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Chloroquine5 / 10
GLY E 502
GLY E 504
ASN A 330
GLN E 498
PHE E 497
1.54A21.37
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		Tirofiban5 / 12
LEU A  73
TYR E 495
SER E 494
TYR E 505
ARG E 403
1.35A20.42
22.15
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.
2V2G_A_BEZA1222_0
(PEROXIREDOXIN 6)		Benzoic Acid4 / 7
THR E 523
SER E 359
ARG E 357
PRO E 521
1.66A24.72
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.
2Y7J_B_B49B1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		Sunitinib5 / 10
ILE E 358
VAL E 395
ALA E 397
ILE E 434
LEU E 368
1.28A19.51
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.
4D33_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		Mannitol4 / 8
SER E 359
ARG E 357
ILE E 358
ASN E 360
1.28A21.24
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.
2EJG_A_ADNA1501_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		Adenosine4 / 7
ARG E 357
GLU E 340
ASN E 334
PRO E 337
1.64A21.96
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.
3U9F_P_CLMP221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol6 / 9
THR E 430
PHE E 429
SER E 514
VAL E 341
PHE E 338
VAL E 395
1.74A19.28
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.
5ADE_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 230
GLU A 232
VAL A 581
VAL A 226
1.73A22.44
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		Triamterene4 / 8
SER E 494
ASP A  38
TYR E 449
PRO E 507
1.29A21.62
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.
6DH6_A_017A104_0
(PROTEASE)		Darunavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.22A13.13
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.
4BLV_A_SAMA1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		S-Adenosylmethionine5 / 12
LEU A 278
HIS A 241
GLY A 448
LEU A 267
GLY A 486
1.30A19.81
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.
6GNE_B_ACRB602_1
(-)		Acarbose5 / 12
GLY A 354
GLY E 502
ASN E 437
GLN E 498
PRO E 499
1.63A21.14
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.
4OBW_A_SAMA602_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		S-Adenosylmethionine5 / 12
TYR A 521
ASN A 578
ALA A 569
GLY A 561
ASN A 397
1.58A17.27
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		L-Cysteine4 / 8
ALA A 348
HIS A 345
HIS A 374
THR A 371
1.70A20.87
None
None
ZN  A 901 (-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.
5SYJ_A_NIZA809_1
(CATALASE-PEROXIDASE)		Isoniazid4 / 8
VAL A 487
GLY A 268
LEU A 278
THR A 276
1.23A21.27
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.
1QVU_A_PRLA196_0
(TRANSCRIPTIONAL
REGULATOR QACR)		Proflavine4 / 6
LEU A 410
GLU A 406
THR A 517
TYR A 587
1.75A17.05
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.
2V32_A_BEZA1222_0
(PEROXIREDOXIN 6)		Benzoic Acid4 / 8
THR E 478
PRO E 479
SER E 477
ALA E 475
1.46A24.72
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.
6A5K_A_SAMA805_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH6)		S-Adenosylmethionine5 / 12
ARG A 219
GLY A 200
GLU A 457
TYR A 207
LEU A 222
1.71A19.72
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.
3JAY_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine5 / 12
ASN A 188
ARG A 219
VAL A 226
ILE A 223
GLU A 224
1.38A19.68
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.
3JB2_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine5 / 12
GLY E 502
GLY A 354
ALA A 386
VAL E 503
PRO E 507
1.30A11.59
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.
4MM9_A_FVXA603_1
(TRANSPORTER)		Fluvoxamine5 / 11
ALA E 419
TYR E 423
PHE E 429
GLY E 413
ASP E 398
1.24A17.41
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.
5KF8_A_GCSA404_1
(PREDICTED
ACETYLTRANSFERASE)		Glucosamine4 / 8
PRO E 426
GLY E 413
PRO E 412
ASP E 427
1.60A23.65
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		Parachlorophenol4 / 6
PHE A 525
PHE A 400
TYR A 521
VAL A 574
1.59A12.11
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.
5IEO_A_VDYA206_2
(CDL2.3A)		Calcidiol4 / 8
PRO A 583
LEU A 450
ILE A 233
LEU A 410
1.07A13.25
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.
6F6S_A_CXQA507_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		Benzatropine4 / 5
ARG A 559
ALA A 384
TYR A 381
GLN A 388
1.38A18.91
14.65
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.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
GLU A 182
CYH A 498
GLY A 173
GLN A 175
LEU A 176
1.48A19.10
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.
4MK4_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
PRO E 507
SER E 443
VAL E 503
GLY E 502
1.34A21.07
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.
5UH6_C_RFPC1201_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin5 / 12
LEU A  95
GLN A  96
ASP A  30
ARG A 559
HIS A  34
1.51A18.78
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.
6G9B_A_IXXA609_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN
ENVELOPE
GLYCOPROTEIN)		Imipramine5 / 7
ILE A 446
VAL A 244
LEU A 240
LEU A 591
LEU A 278
1.52A19.70
14.65
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.
3N8Y_B_SALB900_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Salicylic acid4 / 5
LEU A 584
TYR A 587
ILE A 446
ALA A 443
1.25A21.32
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.
5KPR_A_PAUA404_0
(PANTOTHENATE KINASE
3)		Pantothenic acid4 / 5
GLU A  37
GLY A 354
ARG E 403
GLY E 504
1.36A20.64
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.
6BSD_A_1N1A901_0
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Dasatinib5 / 12
LYS A 541
GLU A 435
ILE A 291
GLY A 422
LEU A 424
1.30A21.29
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.
5NOO_A_D16A402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 7
TYR A 207
ILE A 513
GLY A 200
TYR A 183
1.22A20.24
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.
5N5K_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		Acetohydroxamic Acid4 / 5
ILE A 407
HIS A 374
GLU A 406
HIS A 378
1.58A13.74
None
ZN  A 901 (-3.5A)
None
ZN  A 901 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DM6_A_IMNA1401_1
(NADP-DEPENDENT
LEUKOTRIENE B4
12-HYDROXYDEHYDROGEN
ASE)		Indomethacin5 / 10
ALA E 397
ARG E 355
PRO E 412
ILE E 410
TYR E 423
1.34A21.11
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.
1KIA_C_SAMC2293_1
(GLYCINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 6
TRP A 349
ASP A 355
ASN E 501
SER A  44
1.61A17.92
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.
5D0X_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 12
THR A 371
GLN A 526
ALA A 372
ALA A 412
ASP A 543
1.67A16.69
16.58
None
None
None
None
NAG  A 903 ( 4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 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)		Levoleucovorin5 / 12
LEU A 558
GLY A 561
LEU A 554
ALA A 396
GLY A 405
1.38A21.28
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.
4EYZ_A_CCSA109_0
(CELLULOSOME-RELATED
PROTEIN MODULE FROM
RUMINOCOCCUS
FLAVEFACIENS THAT
RESEMBLES
PAPAIN-LIKE CYSTEINE
PEPTIDASES)		Carbocisteine4 / 8
TYR A 279
ASN A 437
PHE A 438
ILE A 291
1.15A18.20
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.
3TKG_C_ROCC901_2
(PROTEASE)		Saquinavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.24A14.75
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.
1ZQ9_B_SAMB4001_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		S-Adenosylmethionine5 / 12
GLY E 431
GLY E 381
VAL E 512
LEU E 425
PRO E 412
1.33A19.72
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.
3VRI_A_1KXA301_1
(HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-57 ALPHA
CHAIN
10-MER PEPTIDE)		Abacavir5 / 10
TYR A 199
VAL A 184
TYR A 183
TRP A 459
ILE A 468
1.59A19.20
3.78
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.
6FGD_A_ACTA819_0
(GEPHYRIN)		Acetic acid3 / 3
ARG A 204
GLY A 220
GLU A 224
1.19A20.55
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.
3BGD_A_PM6A301_1
(THIOPURINE
S-METHYLTRANSFERASE)		Mercaptopurine4 / 6
PHE A 438
ALA A 413
LEU A 424
PRO A 415
1.32A17.89
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.
4XI3_D_29SD601_2
(ESTROGEN RECEPTOR)		Bazedoxifene3 / 3
LEU E 425
ASP E 427
ILE E 418
1.11A20.52
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.
4O2B_D_LOCD503_2
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
LEU A 320
LEU A 554
ILE A 544
ALA A 533
ILE A 407
1.35A21.60
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.
4KMM_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 5
MET A 123
LEU A 120
ARG A 460
SER A 128
1.59A19.84
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.
2QEI_A_CXXA801_1
(TRANSPORTER)		Clomipramine5 / 11
LEU A 418
LEU A 424
ILE A 291
PHE A 428
ASP A 431
1.49A21.32
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.
3I5U_B_SAMB401_1
(O-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
ASP A 543
PHE A 314
SER A 547
1.34A18.59
NAG  A 903 ( 4.5A)
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.
6CJK_B_ACTB302_0
(IMMUNOGLOBULIN FAB
HEAVY CHAIN)		Acetic acid3 / 3
TYR E 489
GLY E 476
THR A  27
1.50A25.88
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.
3S3V_A_TOPA193_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim4 / 5
ASP E 467
ILE E 472
PRO E 491
PHE E 490
1.56A21.72
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		Quinidine5 / 11
LEU A 595
PHE A 588
LEU A 591
ALA A 443
PHE A 230
1.15A21.91
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.
5EEW_G_TRPG101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 377
HIS A 374
ALA A 348
HIS A 373
ILE A 379
1.65A9.88
None
ZN  A 901 (-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.
3MIY_A_B49A1_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		Sunitinib5 / 11
ILE E 410
ALA E 435
GLY E 404
SER E 438
ASP E 442
1.55A18.21
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		L-Threonine4 / 7
PHE A 525
GLY A 399
GLY A 395
HIS A 401
1.52A21.10
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.
6BC9_A_ETSA302_2
(CARBONIC ANHYDRASE 2)		Dorzolamide4 / 5
HIS A 535
GLU A 527
LEU A 554
VAL A 573
1.70A19.22
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.
3EM6_A_017A200_2
(PROTEASE)		Darunavir5 / 12
LEU A 236
ILE A 484
GLY A 486
LEU A 262
VAL A 447
1.09A11.98
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.
6A94_B_ZOTB3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		Zotepine5 / 12
VAL E 341
LEU E 513
TRP E 436
PHE E 374
VAL E 510
1.39A18.11
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.
4NDN_A_SAMA407_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
SER E 443
SER E 438
PHE E 497
ASP E 405
1.57A18.91
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.
2Y7H_C_SAMC530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		S-Adenosylmethionine5 / 12
THR E 333
ALA E 363
GLY E 526
LEU E 513
PHE E 338
1.40A16.45
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.
2TSR_B_D16B409_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
ARG E 357
ILE E 358
GLY E 339
PHE E 338
1.15A21.77
None
None
NAG  E 601 (-3.6A)
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.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		Dasatinib5 / 11
ILE E 418
TYR E 495
LEU E 452
LEU E 492
ASP E 467
1.69A24.37
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.
4A81_A_DXCA1161_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		Deoxycholic Acid5 / 12
GLY E 339
ILE E 358
VAL E 395
ASN E 388
LEU E 335
1.57A20.87
NAG  E 601 (-3.6A)
None
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.
3U9F_M_CLMM221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
PHE E 429
SER E 514
VAL E 341
PHE E 338
VAL E 395
1.71A19.28
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.
3LOQ_A_ACTA278_0
(UNIVERSAL STRESS
PROTEIN)		Acetic acid3 / 3
SER A 106
GLY A 104
SER A  77
1.16A19.96
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.
6CBD_A_TRPA902_0
(PROTEIN ARGONAUTE-2)		L-Tryptophan4 / 4
VAL E 512
ALA E 435
PHE E 400
PHE E 347
1.62A14.65
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.
5N5D_A_SAMA306_0
(METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ALA A 501
VAL A 506
TYR A 180
GLU A 166
ALA A 264
1.52A18.28
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.
4UHX_A_RTZA3009_1
(ALDEHYDE OXIDASE)		Thioridazine4 / 8
GLU A 110
ASP A 111
SER A 113
ARG A 115
1.23A18.56
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.
3P4W_C_DSFC320_1
(GLR4197 PROTEIN)		Desflurane4 / 8
TYR E 423
ILE E 410
ILE E 418
VAL E 510
1.03A22.12
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.
1N4F_A_ASRA141_0
(LYSOZYME C)		Arsanilic acid4 / 6
ASN E 487
GLY E 476
THR E 478
PRO E 479
1.38A21.46
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.
3CS9_C_NILC600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib5 / 9
LEU E 387
TYR E 365
VAL E 511
VAL E 341
PHE E 338
1.77A20.07
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Chloroquine4 / 7
GLY E 504
GLY E 404
TYR E 508
ASN E 437
1.33A21.37
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.
5YNM_A_SAMA401_0
(NSP16 PROTEIN)		S-Adenosylmethionine5 / 12
GLY E 404
ASN E 437
ASN E 501
ASP E 442
ASP E 405
1.78A22.36
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		Montelukast5 / 12
SER A 124
SER A 128
THR A 129
ASN A 508
VAL A 343
1.42A20.50
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.
3CS9_A_NILA600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib5 / 10
LEU E 387
VAL E 511
ILE E 358
VAL E 510
ASP E 398
1.73A20.07
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.
3Q1E_D_T44D328_1
(5-HYDROXYISOURATE
HYDROLASE)		Levothyroxine5 / 9
LEU A 595
THR A 282
LEU A 278
HIS A 241
LEU A 444
1.66A11.97
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.
2XKK_E_MFXE1100_1
(TOPOISOMERASE IV
DNA)		Moxifloxacin3 / 3
ARG A 169
GLU A 150
SER A 170
1.27A21.91
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.
3T3Z_C_9PLC501_1
(CYTOCHROME P450 2E1)		Pilocarpine4 / 5
PHE E 515
PHE E 338
ALA E 363
LEU E 387
1.55A18.18
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		Triamterene4 / 8
SER E 494
ASP A  38
TYR E 449
PRO E 507
1.32A21.62
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.
2NMZ_B_ROCB401_2
(PROTEASE)		Saquinavir3 / 3
ARG E 408
VAL E 433
THR E 376
1.44A23.11
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.
4TWD_G_377G401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Memantine4 / 6
ARG E 454
GLU E 484
LEU E 452
PHE E 490
1.61A21.95
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.
2QD3_A_CHDA502_0
(FERROCHELATASE)		Cholic Acid4 / 8
PRO E 507
SER E 443
VAL E 503
GLY E 502
1.29A21.07
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.
5MSD_A_BEZA1202_0
(CARBOXYLIC ACID
REDUCTASE)		Benzoic Acid4 / 5
ILE E 402
PHE E 347
SER E 399
ALA E 435
1.52A10.81
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.
2VMY_A_FFOA505_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		Levoleucovorin5 / 12
LEU A 558
GLY A 561
LEU A 554
ALA A 396
GLY A 405
1.39A21.28
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.
5J5X_B_AZ1B2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAL-DAR-DAR-
DAR-DAR)		Azelaic Acid4 / 7
GLY E 381
GLY E 431
SER E 514
ASP E 428
1.15A19.09
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.
1XF1_B_ACTB1108_0
(C5A PEPTIDASE)		Acetic acid4 / 6
LEU A 142
GLY A 147
ASN A 149
ILE A 151
1.39A21.02
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.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		Erlotinib5 / 12
LEU E 368
PHE E 338
ASP E 398
PHE E 515
ILE E 410
1.65A17.17
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.
1T86_A_CAMA1422_0
(CYTOCHROME P450-CAM)		Camphor5 / 8
PHE E 400
TYR E 423
LEU E 425
VAL E 433
VAL E 407
1.80A20.48
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.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 12
LEU E 455
ASP A  38
GLY E 496
PHE E 497
ALA A  36
1.64A20.94
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.
3AOC_C_ERYC3402_0
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Erythromycin5 / 12
SER E 366
PHE E 374
PHE E 338
ILE E 434
PHE E 515
1.29A12.18
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.
6G1P_A_ACTA403_0
(ADP-RIBOSYLHYDROLASE
LIKE 2)		Acetic acid3 / 3
TYR A  41
ASP A  38
GLN A  42
1.40A18.57
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.
2YY8_B_SAMB500_0
(UPF0106 PROTEIN
PH0461)		S-Adenosylmethionine5 / 11
VAL E 407
GLY E 404
VAL E 503
ILE E 434
ALA E 435
1.77A21.24
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.
4ZZB_E_ACTE403_0
(PROTON-GATED ION
CHANNEL)		Acetic acid3 / 3
ARG A 393
TYR E 505
GLU A  37
1.36A20.15
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.
3UJ7_A_SAMA301_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
SER A 507
ASP A 499
ASP A 494
1.37A19.05
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		Captopril5 / 11
HIS A 345
HIS A 374
GLU A 375
HIS A 378
GLU A 402
0.65A36.33
None
ZN  A 901 (-3.5A)
ZN  A 901 (-3.9A)
ZN  A 901 (-3.5A)
ZN  A 901 (-2.4A)
Potential target for repurposing, i.e. matched protein structure has less than 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_B_TFPB203_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine4 / 6
PHE E 342
VAL E 511
LEU E 513
PHE E 374
1.39A13.42
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.
3GCL_A_AINA609_1
(LACTOPEROXIDASE)		Acetylsalicylic acid4 / 6
HIS A 540
GLU A 430
PHE A 428
GLN A 429
1.56A20.97
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.
2JN3_A_JN3A130_1
(FATTY ACID-BINDING
PROTEIN, LIVER)		Ursodeoxycholic acid5 / 12
ALA A 304
ILE A 307
THR A 365
ASP A 335
HIS A 345
1.31A12.48
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.
1IEP_A_STIA201_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		Imatinib4 / 6
VAL A 573
VAL A 318
ILE A 407
ARG A 559
1.57A19.80
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.
4J7X_A_SASA806_1
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine5 / 12
SER A 502
LEU A 503
PHE A 452
ALA A 264
GLY A 268
1.42A21.35
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.
5VLM_A_CVIA301_1
(REGULATORY PROTEIN
TETR)		Gentian Violet4 / 8
GLY E 431
VAL E 512
ASP E 398
TYR E 396
1.25A20.00
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.
5EEX_G_TRPG101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 377
HIS A 374
ALA A 348
HIS A 373
ILE A 379
1.66A9.88
None
ZN  A 901 (-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.
2A1O_B_CAMB2422_0
(CYTOCHROME P450-CAM)		Camphor5 / 9
PHE E 377
LEU E 387
GLY E 431
VAL E 511
ILE E 434
1.54A20.48
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.
3AG1_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 6
ILE A 513
ARG A 273
THR A 449
LEU A 450
1.66A20.90
7.63
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.
2DU8_J_BEZJ3352_0
(D-AMINO-ACID OXIDASE)		Benzoic Acid4 / 5
TYR E 495
TYR E 453
ARG E 403
GLY E 404
1.79A18.36
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.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)		Rifabutin4 / 7
ASN E 460
LEU E 461
ARG E 454
GLY E 416
1.39A19.40
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.
3FL9_A_TOPA200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 10
ALA A 413
LEU A 370
VAL A 293
ALA A 372
ILE A 307
1.43A13.28
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.
5EF1_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 377
HIS A 374
ALA A 348
HIS A 373
ILE A 379
1.66A9.88
None
ZN  A 901 (-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.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		Erlotinib5 / 12
SER E 494
ASN E 439
PHE E 497
ASN E 501
ASP E 442
1.50A17.17
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.
2PO5_A_CHDA502_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
LEU A 440
LEU A 248
PRO A 451
GLY A 272
1.13A19.87
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.
6EW0_F_TA1F502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
LEU A 558
ASP A 382
HIS A 378
SER A 409
LEU A 554
1.39A21.56
None
None
ZN  A 901 (-3.5A)
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Metocurine4 / 6
THR A  20
GLN A  24
GLN A  89
ILE A  88
1.69A17.01
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.
4IQQ_A_D16A402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 7
TYR A 207
ILE A 513
GLY A 200
TYR A 183
1.23A20.24
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.
5EEU_G_TRPG101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 377
HIS A 374
ALA A 348
HIS A 373
ILE A 379
1.66A9.88
None
ZN  A 901 (-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.
3O14_A_NIOA300_1
(ANTI-ECFSIGMA
FACTOR, CHRR)		Niacin4 / 7
ALA A 532
SER A 547
VAL A 318
LEU A 529
1.00A16.75
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.
3KPC_A_SAMA1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		S-Adenosylmethionine5 / 11
ILE A  21
THR A  20
ASN A  90
ILE A  88
PRO A  84
1.38A11.99
None
None
NAG  A 902 (-1.9A)
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.
3EKT_B_017B200_2
(PROTEASE)		Darunavir5 / 9
ASP E 398
GLY E 431
PRO E 412
ALA E 411
ILE E 410
1.40A20.09
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)		Camphor5 / 8
PHE E 400
TYR E 423
LEU E 425
VAL E 433
VAL E 407
1.78A20.71
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.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Memantine4 / 6
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.66A21.95
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.
3BJW_F_SVRF509_2
(PHOSPHOLIPASE A2)		Suramin4 / 8
TYR A 381
ASN A 394
LYS A 562
PRO A 389
1.75A10.98
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.
3JB2_A_SAMA1102_1
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine3 / 3
ARG A 357
ASP A 350
ASP A 355
1.50A19.68
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.
3OU7_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 444
GLY A 268
TRP A 165
LEU A 248
ALA A 264
1.39A15.64
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.
5M66_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 4
GLN A 325
THR A 324
GLU A 312
LEU A 333
1.41A21.50
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.
2ZUJ_A_CAMA422_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor5 / 8
PHE E 400
TYR E 423
LEU E 425
VAL E 433
VAL E 407
1.75A20.48
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.
5HUA_A_FK5A201_1
(FK506-BINDING
PROTEIN 1)		Tacrolimus5 / 11
TYR E 423
ASP E 398
VAL E 407
ILE E 402
PHE E 347
1.62A20.44
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 A 582
GLU A 527
ASN A 580
1.48A22.44
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.
1RS7_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
GLN A 429
PHE A 428
ASN A 437
ASP A 431
1.53A22.51
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.
3T7V_A_SAMA992_0
(METHYLORNITHINE
SYNTHASE PYLB)		S-Adenosylmethionine5 / 12
GLY A 395
GLY A 561
LEU A 529
GLN A 522
VAL A 404
1.54A20.79
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.
4DQB_B_017B101_2
(ASPARTYL PROTEASE)		Darunavir5 / 10
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.23A12.64
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.
4XI3_B_29SB601_2
(ESTROGEN RECEPTOR)		Bazedoxifene4 / 5
LEU A 162
GLU A 160
MET A 270
HIS A 493
1.69A16.42
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.
1BU5_A_RBFA301_1
(PROTEIN (FLAVODOXIN))		Riboflavin4 / 7
THR E 500
ASN E 501
GLY E 496
ASP A  38
1.55A19.41
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.
5G0P_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
VAL A 581
VAL A 226
PHE A 230
GLU A 232
1.75A22.44
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		Cidofovir4 / 8
GLN E 498
ASN A  49
ALA A  46
SER A  44
1.34A20.91
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.
4A99_D_MIYD391_1
(TETX2 PROTEIN)		Minocycline5 / 11
PHE A 327
ASN A 322
GLY A 326
SER A 331
GLY A 377
1.56A20.36
None
NAG  A 904 (-1.9A)
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.
3NLP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
VAL A 581
VAL A 226
PHE A 230
GLU A 232
1.71A22.44
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		Ceritinib5 / 12
VAL A 447
ALA A 443
LEU A 444
LEU A 439
LEU A 595
1.29A19.87
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.
3ARU_A_PNXA607_1
(CHITINASE A)		Pentoxifylline4 / 8
VAL A 488
GLY A 260
PHE A 603
GLY A 605
1.05A24.11
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.
5JW1_B_CELB602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib4 / 6
VAL E 367
SER E 371
ILE E 434
PHE E 377
1.37A18.78
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.
4Q1W_A_017A104_1
(ASPARTYL PROTEASE)		Darunavir5 / 9
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.25A11.98
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.
2BXK_A_IMNA2001_1
(SERUM ALBUMIN)		Indomethacin4 / 8
ALA A 193
ARG A 192
LEU A 108
ASP A 198
1.25A20.45
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.
3TEG_A_DAHA416_1
(PHENYLALANYL-TRNA
SYNTHETASE,
MITOCHONDRIAL)		Levodopa5 / 12
PHE A 356
THR A 324
GLY A 354
GLY A 326
GLY E 504
1.49A20.95
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.
1X7P_A_SAMA301_0
(RRNA
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 11
THR A 324
GLY E 502
GLY E 504
ILE A 379
ARG A 393
1.25A19.26
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.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		Vorinostat5 / 12
LEU A 554
ILE A 407
GLY A 405
HIS A 401
ASP A 382
1.08A21.10
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.
5CZY_A_SAMA603_0
(LEGIONELLA EFFECTOR
LEGAS4)		S-Adenosylmethionine5 / 12
ARG E 466
GLU E 406
TYR E 495
TYR E 451
LEU E 452
1.50A17.94
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.
2FUM_D_MIXD3539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		Mitoxantrone5 / 12
GLY A 352
ALA A 348
THR A 324
MET A 323
MET A 383
1.25A17.96
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.
4XV2_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib5 / 12
PHE E 377
ALA E 397
LEU E 387
PHE E 429
GLY E 431
1.68A20.55
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.
6AG0_A_ACRA606_0
(ALPHA-AMYLASE)		Acarbose4 / 7
GLY E 404
GLY E 504
GLY A 354
GLY E 502
0.86A17.21
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.
1T3R_A_017A1200_1
(PROTEASE RETROPEPSIN)		Darunavir5 / 10
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.31A12.21
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.
4O7G_A_ASCA303_0
(PROBABLE
TRANSMEMBRANE
ASCORBATE
FERRIREDUCTASE 2)		Vitamin C4 / 7
PHE A 504
HIS A 505
TYR A 515
ARG A 514
1.07A17.06
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.
6B0C_D_TA1D502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
GLU A 160
HIS A 265
LEU A 267
LEU A 278
LEU A 156
1.34A21.60
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.
2X0P_A_ADNA1607_1
(ALCALIGIN
BIOSYNTHESIS PROTEIN)		Adenosine4 / 8
GLY A 399
ILE A 407
MET A 557
HIS A 401
1.38A20.06
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.
4KRH_B_SAMB900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		S-Adenosylmethionine5 / 12
PHE E 400
TYR E 495
GLY E 404
ALA E 435
ILE E 410
1.29A20.23
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.
3ARU_A_PNXA606_1
(CHITINASE A)		Pentoxifylline4 / 7
GLY E 404
ASP E 442
TYR E 508
ARG E 509
1.62A18.09
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_1_PQN1842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 10
ALA A 264
LEU A 267
GLY A 268
ILE A 233
LEU A 520
1.45A21.22
4.31
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.
5VC3_A_DB8A601_1
(WEE1-LIKE PROTEIN
KINASE)		Bosutinib5 / 12
GLY E 446
ASN E 439
GLY E 496
ASP A  38
ASP A 355
1.58A22.82
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		Fluoxetine5 / 12
LEU A 418
LEU A 424
ILE A 291
PHE A 428
ASP A 431
1.39A21.44
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.
2G70_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 320
ASP A 382
HIS A 378
ALA A 569
VAL A 404
1.57A19.41
None
None
ZN  A 901 (-3.5A)
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.
5L1F_B_6ZPB902_1
(GLUTAMATE RECEPTOR 2)		Perampanel5 / 9
SER E 438
ASP E 442
TYR E 495
PHE E 347
SER E 375
1.51A14.59
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.
4IJI_F_BEZF501_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF)		Benzoic Acid4 / 8
ASN E 354
ALA E 348
SER E 399
TYR E 423
1.55A22.44
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.
6F6J_A_ACTA404_0
(L-LYSINE
3-HYDROXYLASE)		Acetic acid4 / 6
LEU E 441
VAL E 401
ARG E 509
SER E 438
1.67A18.99
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.
3F8F_A_DM1A127_1
(TRANSCRIPTIONAL
REGULATOR, PADR-LIKE
FAMILY)		Daunorubicin5 / 10
ALA A 311
PHE A 308
VAL A 293
TRP A 302
ASP A 303
1.67A12.11
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.
5MFX_A_ACTA701_0
(GENOME POLYPROTEIN)		Acetic acid4 / 5
THR A 371
HIS A 373
ALA A 372
ASP A 368
1.53A20.39
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.
6HU9_Q_PCFQ202_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL
CYTOCHROME C OXIDASE
SUBUNIT 1)		Colfosceril palmitate4 / 6
ALA A 193
ARG A 192
MET A 190
ASP A 201
1.75A22.32
12.07
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.
4OJB_A_198A1001_2
(ANDROGEN RECEPTOR)		Bicalutamide4 / 7
LEU A 585
ASN A 586
LEU A 520
VAL A 574
1.23A17.19
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.
2XN3_A_ID8A1356_1
(THYROXINE-BINDING
GLOBULIN)		Mefenamic acid4 / 8
GLN A  96
LEU A 392
LEU A  91
ASN A  90
1.29A20.80
5.83
None
None
None
NAG  A 902 (-1.9A)
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.
6EU9_B_REAB601_1
(RETINOIC ACID
RECEPTOR)		Tretinoin5 / 10
ARG A 518
VAL A 404
PHE A 525
GLY A 399
GLY A 561
1.40A18.85
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.
5VLM_H_CVIH301_0
(REGULATORY PROTEIN
TETR)		Gentian Violet5 / 12
MET A 408
ALA A 550
GLU A 527
TYR A 381
VAL A 573
1.65A15.84
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.
3U9F_D_CLMD221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 12
THR E 430
PHE E 429
SER E 514
PHE E 338
VAL E 395
1.75A19.28
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.
6GBN_B_ADNB501_2
(-)		Adenosine4 / 5
GLN E 498
THR E 500
THR A  52
LEU A 351
1.45A21.52
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.
2YOE_C_FL7C1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Flurazepam4 / 8
GLY E 476
ASN E 487
ILE A  88
SER A  19
1.07A21.91
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.
2V41_E_BEZE1222_0
(PEROXIREDOXIN 6.)		Benzoic Acid4 / 7
THR E 523
SER E 359
ARG E 357
PRO E 521
1.67A24.72
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.
5VLM_C_CVIC301_0
(REGULATORY PROTEIN
TETR)		Gentian Violet5 / 12
ALA E 397
TYR E 369
VAL E 433
ASP E 428
PHE E 429
1.71A20.00
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.
5KIR_B_RCXB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Rofecoxib5 / 12
HIS A 373
VAL A 404
ALA A 412
GLY A 551
LEU A 558
1.54A21.26
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.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
PRO E 499
ASN E 501
GLY E 504
GLY A 354
ASP A 355
1.38A21.81
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.
3LN1_A_CELA682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib5 / 8
LEU E 368
SER E 371
LEU E 387
ILE E 434
PHE E 377
1.66A17.99
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.
5EEX_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 377
HIS A 374
ALA A 348
HIS A 373
ILE A 379
1.66A9.88
None
ZN  A 901 (-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.
2NYR_B_SVRB401_3
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		Suramin5 / 12
TYR E 505
PHE A 356
ASN A 394
TYR A 381
MET A 557
1.71A21.53
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.
6EXI_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
LEU E 390
GLY E 526
PHE E 338
1.01A18.05
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.
4OBW_B_SAMB601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		S-Adenosylmethionine5 / 12
TYR A 521
ASN A 578
ALA A 569
GLY A 561
ASN A 397
1.40A17.27
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.
3PWR_A_ROCA401_2
(PROTEASE)		Saquinavir3 / 3
ARG E 408
VAL E 433
THR E 376
1.41A22.64
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.
6NMP_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 9
MET A 408
GLY A 405
GLN A 522
GLU A 406
THR A 519
1.73A20.90
17.77
9.73
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.
3LZS_A_017A200_1
(HIV-1 PROTEASE)		Darunavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.21A13.27
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.
3CCF_A_BEZA261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		Benzoic Acid4 / 8
GLY E 526
ASN E 388
PHE E 392
TYR E 365
1.77A17.87
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.
5NZ0_A_ZLDA301_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR ETHR)		Linezolid5 / 12
GLY A 466
ILE A 468
TRP A 461
VAL A 184
TRP A 459
1.67A17.02
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.
3D1X_A_ROCA201_2
(HIV-1 PROTEASE)		Saquinavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.25A12.18
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.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		Cefoxitin5 / 12
ALA A  65
SER A  43
ASN A  49
ASN A  61
GLY A  66
1.67A18.85
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.
3K13_A_THHA642_1
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		Levomefolic acid3 / 3
ASN A 149
ASP A 269
ARG A 460
0.90A19.90
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.
1FKF_A_FK5A108_1
(FK506 BINDING
PROTEIN)		Tacrolimus5 / 11
TYR E 451
ASP E 442
VAL E 350
ILE E 402
PHE E 497
1.64A21.10
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.
1RTS_B_D16B409_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 7
ARG A 514
LEU A 450
GLY A 448
PHE A 274
1.36A19.59
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.
5FCT_B_C2FB402_1
(THYMIDYLATE SYNTHASE)		Levomefolic acid3 / 3
ASN E 439
ASP A 355
GLY A 354
0.93A21.20
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.
4XE5_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Ouabain5 / 12
GLU A 402
GLU A 406
LEU A 520
PHE A 274
ILE A 233
1.48A19.59
 ZN  A 901 (-2.4A)
None
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.
5XXI_A_LSNA501_1
(CYTOCHROME P450 2C9)		Losartan5 / 12
ALA A 412
VAL A 318
ALA A 550
LEU A 558
LEU A 320
1.46A21.13
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.
4L7I_B_SAMB501_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		S-Adenosylmethionine4 / 8
PRO E 507
ALA E 435
SER E 438
ASP E 442
1.29A20.44
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.
4MM8_A_RFXA603_1
(TRANSPORTER)		Fluoxetine5 / 12
ALA E 419
TYR E 423
PHE E 429
GLY E 413
ASP E 398
1.37A17.41
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.
4KN2_C_LYAC304_2
(FOLATE RECEPTOR BETA)		Pemetrexed3 / 3
TYR A 196
GLN A 102
TRP A 203
1.50A16.97
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.
5MVN_E_PFLE408_1
(PROTON-GATED ION
CHANNEL)		Propofol5 / 11
PHE E 497
TYR E 453
ILE E 418
ILE E 402
TYR E 451
1.67A22.19
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.
2HS2_A_017A201_1
(PROTEASE)		Darunavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.22A12.18
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.
5X7R_A_ACRA1481_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		Acarbose4 / 6
SER A 409
HIS A 374
ARG A 518
GLU A 406
1.65A17.31
None
ZN  A 901 (-3.5A)
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.
1HZ4_A_BEZA784_0
(MALT REGULATORY
PROTEIN)		Benzoic Acid4 / 6
HIS A 417
LEU A 423
LEU A 418
PRO A 415
1.54A20.03
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.
5YCN_A_8LXA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Lobeglitazone4 / 6
PHE A 315
SER A 545
HIS A 417
HIS A 373
1.63A20.34
None
NAG  A 903 ( 4.7A)
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.
1EII_A_RTLA135_1
(CELLULAR
RETINOL-BINDING
PROTEIN II)		Vitamin A4 / 7
TYR A  41
SER E 443
TYR E 505
GLN E 493
1.65A11.61
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.
4O1Z_B_MXMB807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Meloxicam5 / 12
VAL E 395
VAL E 341
TRP E 436
PHE E 374
SER E 399
1.31A19.02
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.
3D20_A_017A201_1
(HIV-1 PROTEASE)		Darunavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.14A12.18
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.
6HU9_C_PCFC607_0
(CYTOCHROME B)		Colfosceril palmitate5 / 10
ALA A 569
TYR A 521
THR A 517
PHE A 525
VAL A 573
1.46A20.26
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.
3U7S_A_017A201_2
(POL POLYPROTEIN)		Darunavir5 / 9
ALA A 296
ASP A 292
ILE A 291
ILE A 421
PRO A 426
1.78A9.79
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.
5EEZ_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 377
HIS A 374
ALA A 348
HIS A 373
ILE A 379
1.66A9.88
None
ZN  A 901 (-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.
3V3N_D_MIYD2001_1
(TETX2 PROTEIN)		Minocycline5 / 11
GLN E 498
PHE E 497
GLY E 447
SER E 443
GLY E 504
1.73A20.00
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.
3ARR_A_PNXA607_1
(CHITINASE A)		Pentoxifylline4 / 7
TRP A 275
VAL A 447
LEU A 595
TRP A 606
1.57A24.11
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.
1HXW_B_RITB301_2
(HIV-1 PROTEASE)		Ritonavir5 / 11
LEU A  39
ASP A  38
GLY E 496
ASP A 355
GLY E 446
1.44A12.90
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.
6G9I_B_CXXB707_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN)		Clomipramine5 / 7
LEU A 585
VAL A 447
LEU A 236
LEU A 591
LEU A 584
1.52A18.77
14.65
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.
3NLR_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
VAL A 581
VAL A 226
PHE A 230
GLU A 232
1.67A22.44
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.
2QD5_A_CHDA702_0
(FERROCHELATASE)		Cholic Acid3 / 3
LEU A 179
PRO A 178
ARG A 115
1.13A19.71
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.
2B17_A_DIFA701_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		Diclofenac5 / 10
LEU E 368
ALA E 397
ILE E 358
GLY E 339
PHE E 347
1.39A20.09
None
None
None
NAG  E 601 (-3.6A)
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.
5EF2_G_TRPG101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 377
HIS A 374
ALA A 348
HIS A 373
ILE A 379
1.66A9.88
None
ZN  A 901 (-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.
5EF2_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 377
HIS A 374
ALA A 348
HIS A 373
ILE A 379
1.66A9.88
None
ZN  A 901 (-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.
1ZQ9_B_SAMB4001_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		S-Adenosylmethionine6 / 12
GLY A 551
GLY A 319
LEU A 558
VAL A 573
LEU A 529
ILE A 407
1.61A18.09
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.
5HKG_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B)		Sirolimus5 / 12
GLU A 571
VAL A 574
PHE A 525
VAL A 318
ILE A 544
1.40A10.85
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		Alectinib5 / 12
LEU E 368
VAL E 367
GLY E 339
VAL E 341
LEU E 513
1.28A19.27
None
None
NAG  E 601 (-3.6A)
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.
3UNC_A_SALA1338_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid5 / 9
GLU E 516
SER E 359
THR E 523
VAL E 524
ALA E 520
1.66A10.53
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.
5EB3_A_UEGA202_1
(YFIR)		Pyridoxine4 / 4
LEU E 368
ILE E 434
PRO E 384
LEU E 387
1.70A28.14
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.
3EKT_B_017B200_1
(PROTEASE)		Darunavir5 / 9
LEU A  39
ASP A  38
GLY E 496
ASP A 355
GLY E 446
1.60A13.13
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.
4KS8_A_B49A701_1
(SERINE/THREONINE-PRO
TEIN KINASE PAK 6)		Sunitinib5 / 10
ILE E 410
ALA E 435
GLY E 404
SER E 438
ASP E 442
1.59A20.20
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.
3CJT_C_SAMC302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ASP A 269
LEU A 267
GLY A 268
LEU A 278
LEU A 248
1.43A18.71
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.
3U9F_F_CLMF221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
HIS A 535
THR A 414
PHE A 438
SER A 411
PHE A 523
1.73A17.32
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.
2F80_B_017B301_1
(POL POLYPROTEIN)		Darunavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.14A12.41
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.
2NNK_A_ROCA401_1
(PROTEASE)		Saquinavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.27A12.18
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.
5HYR_B_ESTB601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
MET A 152
LEU A 267
ALA A 264
LEU A 248
LEU A 162
1.64A18.37
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.
1QCA_A_FUAA221_1
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid4 / 7
THR A 414
SER A 420
PHE A 314
LEU A 539
1.48A17.65
None
NAG  A 903 (-2.8A)
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		Bezafibrate4 / 8
PRO A 336
ALA A 304
THR A 362
TRP A 328
1.15A11.41
13.43
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.
2IEN_B_017B402_2
(PROTEASE)		Darunavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.30A12.18
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.
4OGR_I_ADNI401_1
(CYCLIN-DEPENDENT
KINASE 9)		Adenosine5 / 9
ILE E 358
VAL E 395
ALA E 397
ASN E 388
LEU E 368
1.72A20.25
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.
2J9C_A_ACTA1122_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)		Acetic acid4 / 7
SER A 106
VAL A 107
SER A  77
LYS A  74
1.76A13.71
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.
1Y93_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		Acetohydroxamic Acid4 / 6
ILE A 407
HIS A 374
GLU A 406
HIS A 378
1.56A13.40
None
ZN  A 901 (-3.5A)
None
ZN  A 901 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QHS_A_CLMA999_0
(PROTEIN
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE))		Chloramphenicol5 / 12
VAL E 510
ILE E 402
ILE E 418
VAL E 433
LEU E 425
1.30A20.16
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.
2GL0_C_ADNC903_1
(CONSERVED
HYPOTHETICAL PROTEIN)		Adenosine5 / 12
TRP A 302
ILE A 307
VAL A 293
PHE A 369
SER A 545
1.51A14.79
None
None
None
None
NAG  A 903 ( 4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BOG_C_DHIC32_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		L-Histidine4 / 6
GLY E 504
GLY E 502
GLY A 354
GLY A 352
0.99A19.88
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.
5J4N_A_AG2A501_1
(ARGININE/AGMATINE
ANTIPORTER)		Agmatine4 / 6
SER A  47
ASN A  63
MET A  62
ILE A  54
1.49A20.60
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.
3RR3_A_FLRA700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Flurbiprofen5 / 12
VAL E 362
VAL E 367
TYR E 365
GLY E 339
LEU E 335
1.38A18.68
None
None
None
NAG  E 601 (-3.6A)
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.
3R55_A_PZAA598_0
(LACTOPEROXIDASE)		Pyrazinamide3 / 3
GLU A 430
PHE A 428
GLN A 429
1.36A22.01
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		Lisinopril6 / 12
HIS A 345
THR A 371
HIS A 374
GLU A 375
HIS A 378
GLU A 402
0.67A36.67
None
None
ZN  A 901 (-3.5A)
ZN  A 901 (-3.9A)
ZN  A 901 (-3.5A)
ZN  A 901 (-2.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M0I_B_ACTB303_0
(SWI5-DEPENDENT HO
EXPRESSION PROTEIN 2)		Acetic acid4 / 5
VAL E 445
THR E 500
ASN A 330
LEU A  45
1.52A21.88
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.
4K0B_B_SAMB504_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		S-Adenosylmethionine4 / 8
PRO E 507
ALA E 435
SER E 438
ASP E 442
1.33A20.44
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.
3P5N_B_RBFB190_1
(RIBOFLAVIN UPTAKE
PROTEIN)		Riboflavin5 / 12
LEU A 444
THR A 276
ASP A 269
GLY A 268
LEU A 281
1.42A16.46
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.
5TUI_B_CTCB405_0
(TETRACYCLINE
DESTRUCTASE TET(50))		Chlortetracycline5 / 12
PHE E 377
VAL E 524
GLY E 526
GLY E 431
ILE E 434
1.21A22.06
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.
3OU6_C_SAMC300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
TYR E 505
GLY A 352
ASP A 350
0.86A22.31
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.
3U9F_J_CLMJ221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 12
THR E 430
SER E 514
VAL E 341
PHE E 338
VAL E 395
1.67A19.28
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.
1FFY_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		Mupirocin5 / 12
GLY E 446
ASN E 448
GLY E 496
ASP A  38
VAL E 445
1.52A13.89
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.
4TVT_A_ASCA302_0
(THAUMATIN-1)		Vitamin C3 / 3
ARG A 582
GLN A 524
GLU A 527
1.38A15.77
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.
2IDK_A_C2FA1410_0
(GLYCINE
N-METHYLTRANSFERASE)		Levomefolic acid5 / 11
TYR A 255
LEU A 248
TYR A 252
LEU A 266
HIS A 265
1.50A17.92
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		Captopril5 / 11
HIS A 345
HIS A 374
GLU A 375
HIS A 378
GLU A 402
0.58A42.67
None
ZN  A 901 (-3.5A)
ZN  A 901 (-3.9A)
ZN  A 901 (-3.5A)
ZN  A 901 (-2.4A)
Potential target for repurposing, i.e. matched protein structure has less than 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)		Adenosine3 / 3
GLU E 484
GLU A  75
LEU A  39
1.11A18.46
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.
6GNE_A_ACRA602_1
(-)		Acarbose5 / 12
GLY A 354
GLY E 502
ASN E 437
GLN E 498
PRO E 499
1.64A21.14
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.
6ECT_A_SAMA1300_0
(STIE PROTEIN)		S-Adenosylmethionine5 / 12
LEU A 440
GLY A 448
VAL A 447
LEU A 236
ILE A 233
1.30A21.80
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.
2O4N_A_TPVA300_1
(PROTEASE)		Tipranavir5 / 12
ALA E 397
ASP E 398
ILE E 434
GLY E 431
LEU E 368
1.20A20.28
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.
1Q23_E_FUAE706_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid5 / 10
THR E 385
PHE E 515
LEU E 513
VAL E 511
PHE E 342
1.56A19.28
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.
3V4T_E_ACTE503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid3 / 3
GLN A  24
THR E 478
ASN E 487
1.05A21.97
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.
5X1B_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
TYR E 396
ARG E 357
THR E 393
LEU E 518
1.54A16.92
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.
2QHF_A_ACTA508_0
(CHORISMATE SYNTHASE)		Acetic acid4 / 5
LEU A 423
ARG A 306
ALA A 296
ILE A 307
1.73A19.26
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.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		Imatinib5 / 12
VAL E 524
ALA E 363
LEU E 387
GLY E 431
PHE E 392
1.41A20.69
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.
6FGD_A_D8ZA831_0
(GEPHYRIN)		Artemether5 / 11
ASP A 157
ILE A 151
LEU A 266
PRO A 490
TYR A 252
1.62A20.55
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		Valaciclovir4 / 5
HIS A 493
LEU A 503
LEU A 144
ASP A 269
1.69A20.92
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.
3JW2_A_017A401_1
(GAG-POL POLYPROTEIN)		Darunavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.21A9.28
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.
3TKD_A_CYZA266_2
(GLUTAMATE RECEPTOR 2)		Cyclothiazide4 / 5
ILE A 259
PRO A 258
SER A 611
GLY A 260
1.26A19.43
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.
3DH0_A_SAMA220_0
(SAM DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 405
GLY A 377
ALA A 403
PHE A 525
LEU A 410
1.33A17.41
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.
1RMT_B_ADNB1502_1
(CLASS B ACID
PHOSPHATASE)		Adenosine4 / 7
PHE E 486
GLU A  75
LEU A  79
TYR E 489
1.58A22.92
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.
6DK1_A_GM4A301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Pentazocine5 / 11
VAL A 488
TYR A 158
ASP A 615
TRP A 610
ALA A 264
1.73A17.85
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.
2PIW_A_T3A932_1
(ANDROGEN RECEPTOR)		Liothyronine4 / 6
LEU A 554
VAL A 404
ILE A 407
ILE A 544
1.36A17.33
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.
4Z91_E_4LEE401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane6 / 10
LEU A 267
THR A 276
LEU A 278
THR A 445
LEU A 444
THR A 449
1.45A18.07
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		Quinine5 / 12
THR E 430
SER E 514
GLY E 413
LEU E 425
PRO E 412
1.44A23.53
24.18
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.
5FSA_A_X2NA590_2
(CYP51 VARIANT1)		Posaconazole3 / 3
PRO A 389
ILE E 418
SER A 563
1.28A22.36
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.
3UCJ_A_AZMA229_2
(CARBONIC ANHYDRASE)		Acetazolamide3 / 3
GLN A 442
PHE A 588
TYR A 587
1.51A17.66
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.
5JO9_A_SORA302_0
(RIBITOL
2-DEHYDROGENASE)		Sorbitol5 / 12
LEU A 584
THR A 229
GLU A 232
PRO A 583
LEU A 520
1.41A17.34
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.
4A99_C_MIYC391_1
(TETX2 PROTEIN)		Minocycline5 / 11
PHE A 327
ASN A 322
GLY A 326
SER A 331
GLY A 377
1.57A20.36
None
NAG  A 904 (-1.9A)
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.
3T7S_C_SAMC300_0
(PUTATIVE
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY E 496
GLN E 493
SER E 443
GLU A  35
TYR A  41
1.56A19.41
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.
6DWD_D_GLYD713_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		Glycine3 / 3
ARG A 514
HIS A 505
ARG A 460
1.27A20.62
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
PRO E 499
ASN E 501
GLY E 504
GLY A 354
ASP A 355
1.40A21.81
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.
4XNX_A_41XA707_1
(TRANSPORTER)		Reboxetine5 / 11
ALA A 501
ASP A 499
GLY A 130
SER A 170
GLY A 173
1.40A21.45
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.
3U9F_E_CLME221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
PHE E 377
SER E 514
VAL E 341
PHE E 338
VAL E 395
1.63A19.28
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.
6G9B_B_IXXB705_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN
ENVELOPE
GLYCOPROTEIN)		Imipramine4 / 5
ARG E 403
TYR E 453
GLN E 409
ILE E 418
1.56A20.97
20.54
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.
3U9F_O_CLMO221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol6 / 11
THR E 430
PHE E 429
SER E 514
VAL E 341
PHE E 338
VAL E 395
1.62A19.28
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.
5B8I_C_FK5C201_3
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		Tacrolimus5 / 12
TYR E 423
ASP E 398
VAL E 407
ILE E 402
PHE E 347
1.56A20.80
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.
3OU6_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 444
GLY A 268
TRP A 165
LEU A 248
ALA A 264
1.39A15.64
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		Bezafibrate4 / 6
LYS A 416
ASP A 543
ALA A 412
LEU A 370
1.43A13.42
None
NAG  A 903 ( 4.5A)
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.
5L5F_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5
PROTEASOME SUBUNIT
BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA TYPE-6)		Bortezomib4 / 8
SER A 317
ALA A 412
ASP A 543
SER A 411
1.39A17.32
17.06
None
None
NAG  A 903 ( 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.
4HTF_A_SAMA301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 405
GLY A 377
LEU A 410
SER A 411
HIS A 401
1.40A19.80
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.
4KLR_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 444
ARG A 161
PRO A 451
VAL A 487
1.54A19.84
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.
5EEZ_G_TRPG101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 377
HIS A 374
ALA A 348
HIS A 373
ILE A 379
1.66A9.88
None
ZN  A 901 (-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.
4DUB_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT 9D7)		Dopamine4 / 6
PHE E 515
GLY E 381
LEU E 387
VAL E 382
1.25A19.96
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.
1QKN_A_RALA600_2
(ESTROGEN RECEPTOR
BETA)		Raloxifene3 / 3
ASP A 350
LEU A 351
HIS A 345
1.25A18.61
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.
3O01_B_DXCB1_0
(CELL INVASION
PROTEIN SIPD)		Deoxycholic Acid5 / 9
ILE E 434
PHE E 464
ALA E 397
LEU E 368
VAL E 395
1.75A19.69
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.
3K9W_A_ACTA170_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		Acetic acid3 / 3
SER E 477
GLY E 476
THR E 478
1.57A20.82
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.
3JB2_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine5 / 12
ASN A 188
ARG A 219
VAL A 226
ILE A 223
GLU A 224
1.45A19.68
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.
1JLB_A_NVPA999_1
(HIV-1 RT A-CHAIN)		Nevirapine4 / 8
LEU E 368
VAL E 341
GLY E 339
LEU E 513
1.26A17.32
None
None
NAG  E 601 (-3.6A)
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.
5G08_A_Z80A1187_1
(FREQUENIN 2)		Chlorpromazine4 / 6
ILE A 407
PHE A 523
PHE A 400
TRP A 566
1.64A16.57
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.
6BM5_A_SAMA1301_0
(METHIONINE SYNTHASE)		S-Adenosylmethionine5 / 11
ARG A 393
GLU A  37
ARG E 403
PRO E 507
PRO E 499
1.73A20.13
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.
4P65_C_IPHC101_0
(INSULIN)		Phenol5 / 11
LEU A 240
LEU A 444
ALA A 443
LEU A 591
VAL A 283
1.21A3.10
4.81
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.
2V0M_B_KLNB1498_1
(CYTOCHROME P450 3A4)		Ketoconazole5 / 9
PHE E 456
SER A  77
LEU A  85
ALA A  99
LEU A  29
1.58A18.54
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.
3FL9_F_TOPF200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 10
ALA A 413
LEU A 370
VAL A 293
ALA A 372
ILE A 307
1.31A13.28
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.
5AOX_C_ACTC1001_0
(ALU JO CONSENSUS RNA
SIGNAL RECOGNITION
PARTICLE 14 KDA
PROTEIN)		Acetic acid3 / 3
TYR A 515
THR A 519
THR A 453
1.01A10.71
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.
5IM2_A_BEZA401_0
(TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL)		Benzoic Acid5 / 12
VAL A 172
PRO A 146
LEU A 148
LEU A 142
VAL A 132
1.19A19.32
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.
3TTR_A_LQZA90_1
(LACTOTRANSFERRIN)		Lidocaine3 / 3
PRO E 521
THR E 393
LEU E 518
1.43A21.68
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.
5L7I_B_VISB1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		Vismodegib5 / 12
TRP A 477
SER A 502
ASP A 269
LEU A 456
MET A 455
1.69A21.55
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.
3RGF_A_BAXA465_2
(CYCLIN-DEPENDENT
KINASE 8)		Sorafenib4 / 7
LEU A 554
VAL A 573
VAL A 404
LEU A 568
0.99A21.02
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.
4MJ8_A_SPMA202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		Spermine4 / 8
GLU A 227
ILE A 484
GLU A 483
ILE A 233
1.29A13.84
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.
5G48_A_1FLA1375_1
(DNA POLYMERASE III
SUBUNIT BETA)		Diflunisal4 / 8
THR A 434
PRO A 415
PRO A 590
LEU A 439
1.09A20.92
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.
6A7P_B_9SCB601_1
(SERUM ALBUMIN)		Aripiprazole4 / 6
PHE A 464
TYR A 180
LEU A 120
SER A 507
1.74A20.54
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		Simeprevir3 / 3
PHE E 515
TYR E 380
LEU E 518
1.18A24.18
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.
1Q23_C_FUAC701_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid5 / 12
THR E 430
PHE E 429
VAL E 341
PHE E 338
VAL E 395
1.47A19.28
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		Acarbose5 / 12
ARG A 393
ALA A  36
GLU A  37
ASN E 501
ASP A  30
1.56A21.61
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.
3JQA_A_DX4A270_0
(PTERIDINE REDUCTASE
1)		Tioguanine4 / 6
SER E 494
ASP A  38
TYR E 449
PRO E 507
1.39A21.62
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.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
LEU A 320
GLY A 551
ALA A 384
LEU A 560
GLY A 377
1.27A20.17
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		Cidofovir4 / 8
GLN A  98
ALA A  80
GLN A  76
SER A  77
1.46A12.25
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.
6DH6_A_017A104_1
(PROTEASE)		Darunavir6 / 12
LEU A  39
ASP A  38
GLY E 496
ASP A 355
GLY E 446
LEU A 351
1.73A13.13
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Digoxin5 / 12
GLN A  76
GLU A  35
LEU A 100
ALA E 475
LEU E 455
1.26A19.71
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.
3UCB_A_017A201_2
(PROTEASE)		Darunavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.20A8.82
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.
2A1M_B_CAMB2422_0
(CYTOCHROME P450-CAM)		Camphor4 / 8
PHE E 374
GLY E 339
VAL E 511
ILE E 434
1.06A20.48
None
NAG  E 601 (-3.6A)
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.
3UQ6_B_ADNB401_2
(ADENOSINE KINASE,
PUTATIVE)		Adenosine4 / 5
LEU A 529
GLY A 551
PHE A 525
ASN A 556
1.64A19.44
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
SER E 359
VAL E 524
VAL E 395
PRO E 337
1.29A19.59
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.
3BVB_B_017B401_2
(PROTEASE
(RETROPEPSIN))		Darunavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.30A12.64
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.
2RLF_A_RIMA199_1
(MATRIX PROTEIN 2)		Rimantadine4 / 6
LEU A 116
LEU A 108
ILE A 119
ARG A 115
1.15A6.23
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.
5E26_D_PAUD601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		Pantothenic acid4 / 8
VAL E 510
TYR E 423
SER E 514
GLY E 431
1.18A18.83
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 331
GLY A 377
GLU A 406
0.89A20.22
20.06
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.
5O4Y_A_CCSA14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2)		Carbocisteine4 / 6
PHE A 327
ASN A 322
TRP A 328
ARG A 357
1.25A2.06
None
NAG  A 904 (-1.9A)
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.
4JLG_B_SAMB401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		S-Adenosylmethionine5 / 11
ILE A 151
ALA A 164
GLU A 166
GLY A 130
GLU A 150
1.73A18.81
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.
3UR0_B_SVRB516_1
(RNA-DEPENDENT RNA
POLYMERASE)		Suramin4 / 7
ALA A 301
TRP A 302
ALA A 296
ASP A 299
1.39A21.75
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.
5YNI_A_SAMA401_0
(NSP16 PROTEIN)		S-Adenosylmethionine5 / 12
GLY E 404
ASN E 437
ASN E 501
ASP E 442
ASP E 405
1.76A22.36
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)		Tolfenamic Acid5 / 12
VAL E 362
VAL E 367
TYR E 365
GLY E 339
LEU E 335
1.42A17.52
None
None
None
NAG  E 601 (-3.6A)
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.
3EEO_A_SAMA328_1
(MODIFICATION
METHYLASE HHAI)		S-Adenosylmethionine3 / 3
GLU E 340
SER E 399
VAL E 511
1.50A22.78
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.
3N8Z_B_FLPB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen5 / 12
LEU A 584
TYR A 587
ILE A 446
GLY A 448
ALA A 443
1.39A21.32
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.
1WYG_A_SALA4005_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid5 / 10
GLU A 189
LEU A 108
SER A 109
ARG A 115
GLU A 182
1.46A18.27
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.
3UNA_A_SALA1340_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid5 / 9
GLU E 516
SER E 359
THR E 523
VAL E 524
ALA E 520
1.64A10.53
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.
6F6S_A_CXQA507_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		Benzatropine4 / 5
ALA E 475
TYR E 489
GLN E 474
ILE E 472
1.54A20.78
20.54
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.
2QQT_A_AINA596_1
(LACTOPEROXIDASE)		Acetylsalicylic acid4 / 6
HIS A 540
GLU A 430
PHE A 428
GLN A 429
1.61A20.97
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.
2FXD_A_DR7A102_1
(POL PROTEIN)		Atazanavir5 / 11
ILE A  88
GLY E 476
ALA E 475
GLY E 485
PHE A  28
1.21A10.70
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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		Disopyramide5 / 12
TYR A 587
PHE A 438
ILE A 446
GLU A 406
ALA A 412
1.66A14.83
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.
5Z3J_A_NCAA302_0
(ABRIN A-CHAIN)		Nicotinamide4 / 6
VAL E 510
TYR E 495
ILE E 402
GLU E 406
1.53A21.28
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.
3W1W_B_CHDB502_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 9
ILE A 544
LEU A 529
PRO A 321
GLY A 377
MET A 376
1.80A20.33
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.
4EM2_A_SALA503_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)		Salicylic acid4 / 6
LYS A 234
ILE A 233
VAL A 581
LEU A 585
1.05A14.62
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.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Aciclovir5 / 10
GLY A 130
GLU A 171
VAL A 172
THR A 129
VAL A 132
1.52A19.93
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.
5AJQ_B_DB8B800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		Bosutinib5 / 10
ILE E 358
PHE E 392
GLY E 431
LEU E 513
ALA E 397
1.62A20.95
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.
5TZO_A_7V7A201_1
(ENDO-1,4-BETA-XYLANA
SE A)		Fentanyl4 / 8
TRP A 461
TYR A 454
THR A 453
ARG A 514
1.61A14.12
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.
3A50_B_VD3B2001_1
(VITAMIN D
HYDROXYLASE)		Cholecalciferol5 / 11
LEU E 455
LYS A  31
ASN A  33
LEU E 452
THR E 470
1.76A19.86
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.
1Q23_L_FUAL710_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid5 / 11
THR E 430
PHE E 429
VAL E 341
PHE E 338
VAL E 395
1.49A19.28
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.
4BLV_B_SAMB1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		S-Adenosylmethionine5 / 12
GLY E 496
TYR E 449
GLY E 447
HIS A  34
GLY A 354
1.52A21.86
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.
5JGL_A_SAMA301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
SER E 514
ALA E 363
ALA E 522
SER E 359
PRO E 337
1.41A18.87
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.
3DQR_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
VAL A 581
VAL A 226
PHE A 230
GLU A 232
1.73A22.44
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		Captopril5 / 11
HIS A 345
HIS A 374
GLU A 375
HIS A 378
GLU A 402
0.71A36.67
None
ZN  A 901 (-3.5A)
ZN  A 901 (-3.9A)
ZN  A 901 (-3.5A)
ZN  A 901 (-2.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQG_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		Agmatine4 / 8
ARG E 509
ASP E 442
PHE E 497
VAL E 350
1.68A18.57
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.
4JVL_A_ESTA702_1
(ESTROGEN
SULFOTRANSFERASE)		Estradiol4 / 9
TYR E 365
PHE E 515
PHE E 338
ILE E 434
1.78A18.48
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.
2HW2_A_RFPA1200_1
(RIFAMPIN ADP-RIBOSYL
TRANSFERASE)		Rifampicin5 / 12
ALA A 304
THR A 362
MET A 297
LEU A 423
LEU A 418
1.28A12.79
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.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Pentazocine5 / 11
VAL A 132
ALA A 164
TRP A 163
GLU A 140
LEU A 144
1.68A17.85
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.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		Warfarin6 / 12
LEU A  39
ALA A  36
PHE A 390
THR A  78
LEU A 100
LEU A  79
1.55A21.87
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.
1DZ6_B_CAMB502_0
(CYTOCHROME P450-CAM)		Camphor4 / 5
PHE E 464
TYR E 423
VAL E 433
VAL E 395
1.55A20.29
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.
4X61_A_SAMA701_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		S-Adenosylmethionine5 / 12
GLY E 404
GLY E 504
ASN E 501
ARG E 509
GLU E 406
1.53A17.59
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.
4M5M_A_DX4A401_0
(2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE)		Tioguanine4 / 8
GLY E 526
LEU E 368
TYR E 365
ASN E 388
1.15A20.63
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.
4LG1_B_SAMB301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		S-Adenosylmethionine5 / 12
ALA A 569
GLY A 399
ALA A 396
TYR A 207
GLU A 457
1.50A16.72
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.
1GWR_A_ESTA600_1
(OESTROGEN RECEPTOR)		Estradiol5 / 10
MET A 152
LEU A 267
ALA A 264
LEU A 248
LEU A 162
1.75A17.74
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.
2E5D_A_NCAA1501_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		Nicotinamide4 / 7
ARG E 403
ALA A 387
ARG A 393
ASP E 405
1.46A18.63
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.
4QVP_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 10
ALA A 386
ALA A 387
THR A 324
GLY E 502
ASP E 405
1.50A17.41
14.33
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.
3TTR_A_LQZA90_1
(LACTOTRANSFERRIN)		Lidocaine3 / 3
PRO A 284
THR A 282
LEU A 444
1.29A20.68
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.
4OLM_A_198A1001_2
(ANDROGEN RECEPTOR)		Bicalutamide4 / 6
ASN E 422
ILE E 410
ILE E 402
VAL E 510
1.32A19.69
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.
2DU8_J_BEZJ3352_0
(D-AMINO-ACID OXIDASE)		Benzoic Acid4 / 5
TYR A 158
TYR A 252
ILE A 256
ARG A 161
1.79A19.09
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.
5MWU_B_ACTB601_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		Acetic acid3 / 3
THR A  52
PRO A 336
ASP A 335
1.66A19.91
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.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		L-Histidine5 / 12
THR E 500
LEU A 351
TYR A  41
GLY A 354
GLY E 502
1.45A17.27
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.
1C9H_A_RAPA108_1
(FKBP12.6)		Sirolimus5 / 12
GLU A 571
VAL A 574
PHE A 525
VAL A 318
ILE A 544
1.39A10.85
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.
6CLX_A_SAMA401_0
(O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ASP A 355
ARG A 393
ALA A 386
GLY E 504
GLY A 354
1.53A19.33
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.
4QZT_A_ACTA202_0
(RETINOL-BINDING
PROTEIN 2)		Acetic acid4 / 6
TYR A 587
GLU A 406
LEU A 410
GLN A 522
1.72A11.46
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.
3FWG_B_CAMB420_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor5 / 7
PHE E 400
TYR E 423
LEU E 425
VAL E 433
THR E 376
1.79A19.66
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.
5IKR_A_ID8A601_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Mefenamic acid3 / 3
VAL E 445
LEU A 359
MET A 332
1.21A17.52
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.
5KGP_A_GCSA407_1
(PREDICTED
ACETYLTRANSFERASE)		Glucosamine4 / 8
PRO E 426
GLY E 413
PRO E 412
ASP E 427
1.59A23.65
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.
3UPR_A_1KXA277_2
(HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-57 ALPHA
CHAIN
PEP-V)		Abacavir4 / 4
ILE A 513
TYR A 516
LEU A 450
VAL A 447
1.63A1.75
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.
3SNF_A_ACTA110_0
(PROTEIN P-30)		Acetic acid4 / 5
ILE A 307
THR A 362
THR A 334
PHE A 308
1.66A10.85
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.
6FBN_B_SAMB401_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
SER E 443
SER E 438
PHE E 497
ASP E 405
1.65A18.91
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.
6CGD_A_AKNA600_1
(BIFUNCTIONAL AAC/APH)		Amikacin5 / 10
GLY A 354
TYR E 505
VAL E 350
TYR E 453
GLU E 406
1.72A19.05
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.
5KM9_B_ADNB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		Adenosine6 / 12
ILE E 434
PHE E 374
LEU E 513
VAL E 341
ALA E 344
SER E 438
1.63A20.91
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.
2X45_B_HSMB1162_1
(ALLERGEN ARG R 1)		Histamine3 / 3
GLU A 406
HIS A 378
GLU A 402
1.48A13.61
None
ZN  A 901 (-3.5A)
ZN  A 901 (-2.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_A_TMQA202_2
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate3 / 3
TRP A 328
GLN E 506
THR A 324
1.33A16.22
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.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		Terazosin5 / 12
ALA A 264
THR A 276
LEU A 267
GLY A 486
VAL A 485
1.23A23.60
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.
5VEU_A_RITA602_2
(CYTOCHROME P450 3A5)		Ritonavir3 / 3
ARG A 514
PHE A 230
LEU A 222
1.32A22.86
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.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		Piperazine3 / 3
TYR A 510
HIS A 505
PHE A 504
1.68A14.51
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.
1JNN_H_ESTH350_1
(MONOCLONAL
ANTI-ESTRADIOL
17E12E5
IMMUNOGLOBULIN
GAMMA-1 CHAIN
MONOCLONAL
ANTI-ESTRADIOL
17E12E5
IMMUNOGLOBULIN KAPPA
CHAIN)		Estradiol5 / 10
GLU A  37
ASP A  30
TYR E 453
LEU E 455
TYR E 505
1.33A15.97
17.56
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.
3OXC_A_ROCA401_3
(PROTEASE)		Saquinavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.24A12.18
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.
3JB3_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine5 / 12
ASN A 188
ARG A 219
VAL A 226
ILE A 223
GLU A 224
1.44A19.68
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.
4D39_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		Mannitol4 / 8
SER E 359
ARG E 357
ILE E 358
ASN E 360
1.18A21.24
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.
5NOO_D_D16D402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
TYR A 207
ILE A 513
GLY A 200
TYR A 183
1.20A
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X91_A_LPRA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		Lisinopril5 / 12
HIS A 345
HIS A 374
GLU A 375
HIS A 378
GLU A 402
0.67A36.33
None
ZN  A 901 (-3.5A)
ZN  A 901 (-3.9A)
ZN  A 901 (-3.5A)
ZN  A 901 (-2.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GEB_A_CAMA418_0
(CYTOCHROME P450-CAM)		Camphor5 / 9
PHE E 400
TYR E 423
LEU E 425
VAL E 433
ILE E 402
1.73A20.48
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.
1LIK_A_ADNA699_1
(ADENOSINE KINASE)		Adenosine5 / 12
ASN E 422
ILE E 418
GLY E 416
TYR E 453
ASP A  30
1.49A19.07
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.
4D33_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		Mannitol4 / 7
SER E 359
ARG E 357
ILE E 358
ASN E 360
1.29A21.24
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.
3PS9_A_SAMA670_0
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		S-Adenosylmethionine5 / 12
PHE A 314
GLU A 402
GLY A 405
ILE A 407
GLY A 377
1.54A21.88
None
ZN  A 901 (-2.4A)
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		Hydroxyurea4 / 8
HIS A 345
VAL A 343
LEU A 359
THR A 347
1.36A19.22
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.
3S3V_A_TOPA193_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim4 / 5
ASP A 367
LEU A 370
ILE A 291
PHE A 438
1.18A14.92
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		Acarbose5 / 12
ARG A 393
ALA A  36
GLU A  37
ASN E 501
ASP A  30
1.58A21.61
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.
3V3N_A_MIYA2001_1
(TETX2 PROTEIN)		Minocycline5 / 11
GLN A 380
GLY A 377
PHE A 327
GLY A 354
ASN A 330
1.56A22.77
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.
4NC3_A_ERMA1202_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		Ergotamine4 / 6
THR A  20
LEU A  29
GLN E 493
GLU E 484
1.26A21.40
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.
3AG1_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
LEU A 554
GLN A 380
PHE A 555
PHE A 400
1.51A17.00
7.63
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.
3ROD_D_NCAD302_0
(NICOTINAMIDE
N-METHYLTRANSFERASE)		Nicotinamide4 / 7
LEU E 368
ASP E 364
ALA E 363
TYR E 365
1.37A17.77
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.
3BU1_A_HSMA301_1
(LIPOCALIN)		Histamine4 / 7
TYR A 199
VAL A 184
ILE A 119
ASP A 509
1.52A11.25
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.
4DRI_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		Sirolimus5 / 11
TYR E 423
ASP E 398
ARG E 355
PHE E 464
ILE E 434
1.58A19.21
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.
4MWZ_A_SAMA301_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine3 / 3
SER A 507
ASP A 499
ASP A 494
1.33A17.77
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.
6GP2_A_DAHA126_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA CHAIN)		Levodopa5 / 11
LEU E 368
GLY E 431
PHE E 515
PHE E 342
ILE E 434
1.41A20.35
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.
4IV0_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
ILE A 407
GLY A 377
GLY A 405
ASP A 350
ILE A 379
1.31A20.32
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.
3BVB_B_017B401_1
(PROTEASE
(RETROPEPSIN))		Darunavir5 / 12
LEU A 529
GLY A 405
ALA A 403
GLY A 395
VAL A 573
1.22A12.64
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.
5XIW_B_LOCB504_2
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU A 320
LEU A 554
ILE A 544
ALA A 533
ILE A 407
1.28A21.60
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.
5DZK_R_BEZR801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid4 / 8
ALA A 396
PRO A 565
LEU A 560
LEU A 568
1.49A15.89
1.60
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.
5L8D_B_ACTB601_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		Acetic acid3 / 3
THR A  52
PRO A 336
ASP A 335
1.66A19.91
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.
3JX4_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A 230
GLU A 232
VAL A 581
VAL A 226
1.73A22.44
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.
5VLM_E_CVIE301_1
(REGULATORY PROTEIN
TETR)		Gentian Violet4 / 7
GLN E 506
GLN E 493
TYR E 453
ASP A  38
1.10A20.00
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.
4A97_E_ZPCE1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Eszopiclone4 / 6
GLU E 516
PHE E 515
TYR E 396
VAL E 341
1.61A21.91
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		Argatroban5 / 12
TYR E 423
LEU E 425
ALA E 397
GLY E 431
GLY E 381
1.46A22.22
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.
4RJD_A_TFPA203_1
(CALMODULIN)		Trifluoperazine4 / 8
PHE A 525
ILE A 407
LEU A 554
MET A 557
1.25A8.43
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.
5X7P_A_ACRA1481_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		Acarbose4 / 6
SER A 409
HIS A 374
ARG A 518
GLU A 406
1.72A17.31
None
ZN  A 901 (-3.5A)
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.
5ND4_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL A 574
GLU A 527
ARG A 582
PRO A 583
LEU A 584
1.48A22.10
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.
3BJW_G_SVRG506_3
(PHOSPHOLIPASE A2)		Suramin3 / 3
PRO E 384
PHE E 374
LYS E 378
1.34A16.82
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.
3N61_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE)		Sapropterin4 / 6
VAL A 581
VAL A 226
PHE A 230
GLU A 232
1.74A22.44
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.
4OU1_A_BEZA302_0
(RETRO-ALDOLASE,
DESIGN RA114)		Benzoic Acid4 / 8
TYR A 381
LYS A 553
ASN A 572
ALA A 569
1.36A17.36
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.
4GC9_A_SAMA401_0
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		S-Adenosylmethionine5 / 12
GLY E 431
GLY E 381
VAL E 512
LEU E 425
PRO E 412
1.39A18.64
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 A 399
VAL A 573
MET A 557
0.91A20.34
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.
5X7Q_A_ACRA1481_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		Acarbose4 / 6
SER A 409
HIS A 374
ARG A 518
GLU A 406
1.68A17.31
None
ZN  A 901 (-3.5A)
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.
3VT3_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		Calcitriol3 / 3
LEU A 444
ILE A 256
TYR A 243
0.78A17.57
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.
3TKA_A_SAMA400_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H)		S-Adenosylmethionine5 / 12
GLY A 130
ARG A 177
ASP A 499
SER A 502
GLU A 181
1.46A20.26
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.
1T87_B_CAMB2422_0
(CYTOCHROME P450-CAM)		Camphor5 / 7
PHE E 400
TYR E 423
LEU E 425
VAL E 433
ILE E 402
1.78A20.48
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.
4NKV_D_AERD601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Abiraterone4 / 5
GLY A 268
ASP A 269
GLU A 160
VAL A 132
1.43A21.25
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.
6ECX_A_SAMA1301_0
(STIE PROTEIN)		S-Adenosylmethionine6 / 12
LEU A 591
LEU A 440
GLY A 448
VAL A 447
LEU A 236
ILE A 233
1.50A21.48
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.
4D33_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		Mannitol4 / 8
ASN A 437
GLU A 435
ILE A 436
ASP A 431
1.49A22.17
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.
3BGD_B_PM6B301_1
(THIOPURINE
S-METHYLTRANSFERASE)		Mercaptopurine4 / 8
PHE A 452
GLY A 448
VAL A 447
PRO A 451
1.38A17.89
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.
2A1M_B_CAMB2422_0
(CYTOCHROME P450-CAM)		Camphor4 / 8
TYR A 243
THR A 282
GLY A 286
ILE A 436
1.12A20.19
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.
6C2M_B_SUEB1202_0
(NS3 PROTEASE)		Grazoprevir5 / 12
HIS A 241
GLY A 486
VAL A 447
GLY A 260
ALA A 242
1.53A14.86
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.
2ZBU_B_ADNB502_1
(UNCHARACTERIZED
CONSERVED PROTEIN)		Adenosine4 / 5
ASP E 398
PHE E 464
TYR E 396
VAL E 395
1.47A22.89
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.
3SUE_B_SUEB1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir3 / 3
PHE E 515
TYR E 380
LEU E 518
1.19A20.99
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.
2ZMA_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		Aminocaproic Acid5 / 11
ALA A 246
ASP A 597
TRP A 594
SER A 602
ASN A 599
1.76A20.76
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.
5ND2_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
GLU A 489
LEU A 278
ALA A 264
ARG A 245
PRO A 612
1.75A21.56
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1O86_A_LPRA702_1
(ANGIOTENSIN
CONVERTING ENZYME)		Lisinopril5 / 12
HIS A 345
HIS A 374
GLU A 375
HIS A 378
GLU A 402
0.66A42.83
None
ZN  A 901 (-3.5A)
ZN  A 901 (-3.9A)
ZN  A 901 (-3.5A)
ZN  A 901 (-2.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UMD_A_YMZA3801_1
(60S RIBOSOMAL
PROTEIN L28
28S RIBOSOMAL RNA
60S RIBOSOMAL
PROTEIN L4)		Mefloquine4 / 6
ASN A 188
ALA A 191
ASP A 198
TYR A 199
1.49A10.78
19.54
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.
5EF3_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 377
HIS A 374
ALA A 348
HIS A 373
ILE A 379
1.67A9.88
None
ZN  A 901 (-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.
4IP7_D_ADND604_1
(PYRUVATE KINASE
ISOZYMES L)		Adenosine3 / 3
ARG A 582
GLU A 527
ASN A 580
1.49A21.92
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.
5ACL_A_SASA1111_1
(MCG)		Sulfasalazine4 / 7
TYR E 396
SER E 359
GLU E 516
PRO E 521
1.20A21.43
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.
1UWJ_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib5 / 12
VAL E 524
ALA E 363
LEU E 513
LEU E 425
GLY E 431
1.56A20.21
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.
5L6E_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		S-Adenosylmethionine5 / 12
ILE E 358
LEU E 513
SER E 371
PHE E 338
GLY E 339
1.69A20.50
None
None
None
None
NAG  E 601 (-3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9F_R_CLMR221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
PHE E 429
SER E 514
VAL E 341
PHE E 338
VAL E 395
1.64A19.28
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.
1UWJ_B_BAXB1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib3 / 3
ILE E 434
ASP E 398
PHE E 400
1.19A20.21
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.
3KEC_B_HAEB271_1
(COLLAGENASE 3)		Acetohydroxamic Acid3 / 3
HIS A 374
GLU A 375
HIS A 378
0.19A16.17
 ZN  A 901 (-3.5A)
ZN  A 901 (-3.9A)
ZN  A 901 (-3.5A)