PDB ID: 6cs0


Macromolecule:
SPIKE
GLYCOPROTEIN,FIBRITIN

Source Organism:
SARSr-CoV

Gene names:
2
S

UniProt ID:
P59594,D9IEJ2

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '6cs0'

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.
3CLB_A_TMQA611_1
(DHFR-TS)		Trimetrexate5 / 11
ALA B 676
ILE B 652
PRO C 844
LEU C 831
ILE C 826
1.54A16.64
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.
4L7I_B_SAMB501_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		S-Adenosylmethionine4 / 8
PRO A 413
LYS A 411
ALA A 406
ASP A 414
1.60A17.35
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.
1ZLQ_A_ACTA1502_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		Acetic acid4 / 5
PRO B 575
GLY C 839
ASN C 838
GLY C 820
1.29A18.89
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_A_29SA601_1
(ESTROGEN RECEPTOR)		Bazedoxifene5 / 12
THR B 631
ALA B 654
LEU C 846
HIS B 641
PRO B 651
1.32A11.63
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Memantine5 / 8
ALA B 853
SER B 798
ALA B 858
SER B 861
ALA B 854
1.41A14.93
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.
4WG0_A_CHDA103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		Cholic Acid5 / 8
LEU B 986
ARG B 982
LEU B 983
ALA B 732
LEU B 735
1.72A1.09
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.
4N09_B_ADNB401_2
(ADENOSINE KINASE)		Adenosine4 / 5
LEU A 538
SER A 561
LEU A 532
LEU A 519
1.16A15.86
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.
3V3O_C_T1CC401_1
(TETX2 PROTEIN)		Tigecycline5 / 11
ASP A 976
GLN C 984
ARG C 977
PHE C 952
SER C 985
1.67A16.25
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.
2YGN_A_ACTA1181_0
(WNT INHIBITORY
FACTOR 1)		Acetic acid3 / 3
TYR B 622
VAL B 596
THR B 624
0.71A7.65
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		Argatroban5 / 12
TYR B1029
LEU C 876
ALA C 874
GLY C 867
GLY C 862
1.38A12.43
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.
1I3W_E_DVAE2_0
(ACTINOMYCIN D)		L-Valine3 / 3
THR B 693
PRO C 879
THR B1059
1.36A0.95
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.
5NUK_A_Z80A201_1
(BETA-LACTOGLOBULIN)		Chlorpromazine5 / 10
ALA A 595
VAL A 596
ILE A 610
VAL A 628
ALA A 639
1.17A8.98
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.
1H4O_C_BEZC1162_0
(PEROXIREDOXIN 5)		Benzoic Acid5 / 9
THR A1087
GLY A1075
PHE A1091
ARG A1089
GLY A 892
1.75A9.19
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.
5X1F_P_CHDP304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LYS C 344
PHE C 329
LEU C 499
PHE C 501
1.14A11.96
4.10
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.
3M0W_F_P77F203_1
(PROTEIN S100-A4)		Prochlorperazine5 / 9
LEU C 538
ASP C 572
PHE A 837
ASP C 554
SER C 556
1.58A6.74
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.
1D4F_A_ADNA601_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		Adenosine5 / 12
LEU A1006
THR A1009
GLU A1013
LEU C1006
PHE A1024
1.57A15.28
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.
1KF6_N_ACTN803_0
(FUMARATE REDUCTASE
FLAVOPROTEIN
FUMARATE REDUCTASE
IRON-SULFUR PROTEIN)		Acetic acid4 / 6
ARG C 395
GLY C 490
ASP C 392
TYR C 494
1.42A19.16
12.99
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.
4XR4_B_AG2B511_1
(HOMOSPERMIDINE
SYNTHASE)		Agmatine3 / 3
VAL A 205
PHE A 253
ARG A  38
1.40A16.94
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.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)		N-Acetyl-D-glucosamine4 / 5
ASP A 719
TYR A 989
LEU A 986
THR A 716
1.19A14.61
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.
4Q15_B_HFGB803_0
(PROLINE--TRNA LIGASE)		Halofuginone5 / 12
LEU A 538
VAL A 313
THR A 535
PHE A 558
GLY B 726
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.
4P6X_I_HCYI900_1
(GLUCOCORTICOID
RECEPTOR)		Hydrocortisone5 / 12
LEU B 859
GLY B 862
LEU B1016
ILE B 787
PHE B 784
1.36A11.51
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.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib5 / 9
VAL C 510
ALA C 350
GLY C 418
LEU C 499
ALA C 384
1.19A14.00
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.
2VAV_C_CSCC1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		Cephalosporin C5 / 12
LEU A 749
THR A 716
TYR A 989
ARG B 747
VAL A 945
1.63A18.07
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.
4J5J_B_478B401_1
(PROTEASE)		Amprenavir5 / 8
LEU A 519
ASP A 564
ASN A 530
ILE A 573
VAL A 313
1.60A7.68
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.
1D4S_A_TPVA201_2
(PROTEIN (HIV-1
PROTEASE))		Tipranavir4 / 8
ARG B 126
GLY B 104
ILE B 226
PHE B 153
0.85A5.79
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.
2FJ1_A_CTCA222_0
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		Chlortetracycline5 / 12
SER B 703
THR B1048
VAL B1047
LEU B 898
ILE B 905
1.54A10.48
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.
5UO8_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		Sapropterin4 / 6
SER A 380
ARG B 965
PHE A 416
GLU A 502
1.77A16.56
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.
4LBG_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ASN B 951
ASP C 976
GLY B 953
ILE C 979
THR C 980
1.16A13.89
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.
1LIK_A_ADNA799_1
(ADENOSINE KINASE)		Adenosine5 / 10
THR B1059
VAL B1076
ALA C 881
ALA C 885
GLN C 895
1.37A14.74
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.
3U6T_A_KANA4699_1
(RIBOSOME
INACTIVATING PROTEIN)		Kanamycin5 / 10
ILE A 995
ILE C 995
ALA A 998
GLU C 999
ARG A1001
1.18A12.62
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.
5YKE_B_GBMB2001_1
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8 ISOFORM X2)		Glyburide5 / 11
ARG C  48
ILE C 272
LEU C  52
LEU C  54
THR C 215
1.69A21.97
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.
4C49_A_HCYA1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		Hydrocortisone5 / 12
SER B 500
VAL B 498
ILE B 397
PHE B 387
TRP B 340
1.50A14.64
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.
1NBH_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
TYR A 886
GLY A1017
VAL C1022
ASP C1023
TYR C1029
1.47A12.51
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.
2YDO_A_ADNA400_1
(ADENOSINE RECEPTOR
A2A)		Adenosine5 / 12
LEU B 859
THR B 863
GLU B 801
LEU B 788
ILE B 787
1.53A13.72
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.
4PO0_A_NPSA601_1
(SERUM ALBUMIN)		Naproxen5 / 12
VAL B 382
PHE B 325
LEU B 355
VAL B 510
LEU B 377
1.66A18.29
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.
4QLF_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
ALA A 754
ASP A 757
LEU A 846
ILE C 584
LEU C 597
1.63A9.33
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.
6NMP_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
LYS A 344
PHE A 325
LEU A 499
PHE A 501
1.48A11.96
4.10
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.
4WVD_A_IVMA505_0
(BILE ACID RECEPTOR)		Ivermectin5 / 11
GLU B 131
ASN B 109
LEU B 132
ASN B 135
ILE B 117
1.46A9.79
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.
1MX8_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN I, HOLO)		Vitamin A5 / 12
LEU C 597
ALA C 633
PRO A 844
MET A 851
ILE C 656
1.55A8.26
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.
4OBW_A_SAMA602_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		S-Adenosylmethionine5 / 12
ASN C  96
ALA C 251
SER C 248
GLY C  68
PHE C 253
1.36A12.33
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.
1E72_M_ASCM995_0
(MYROSINASE MA1)		Vitamin C4 / 7
ILE C 702
PHE C 782
PHE C 784
PHE C1034
1.10A17.24
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.
6F32_B_ACTB602_0
(AMINE OXIDASE LKCE)		Acetic acid4 / 6
ASN C 409
TYR C 440
VAL C 337
VAL C 389
1.32A17.38
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.
3V5W_A_8PRA701_2
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)		Paroxetine3 / 3
LEU A 499
MET A 417
ASP B 191
1.46A20.64
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.
5AXA_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
GLU A 707
THR A 705
THR A 923
LEU A 804
1.52A17.35
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.
3BJW_F_SVRF509_2
(PHOSPHOLIPASE A2)		Suramin4 / 8
TYR A 195
ASN A 189
LYS A 190
PRO A 259
1.64A7.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTF_L_TRPL81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		L-Tryptophan4 / 7
GLY A  77
ALA A 250
THR A 247
HIS A  74
1.22A4.85
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.
6CZM_B_HISB402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 9
VAL C 990
LEU C 745
LEU C 983
GLN C 984
THR B 988
1.26A14.68
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.
5N5D_B_SAMB303_1
(METHYLTRANSFERASE)		S-Adenosylmethionine4 / 7
GLY B 192
SER A 500
GLU A 452
ASP B 191
1.30A11.58
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.
4IAR_A_ERMA2001_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 1B AND E.
COLI SOLUBLE
CYTOCHROME B562)		Ergotamine5 / 12
ASP A 850
ALA A1037
SER A 798
LEU A 792
THR A 795
1.48A15.80
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.
4XDT_A_ACTA409_0
(FAD:PROTEIN FMN
TRANSFERASE)		Acetic acid4 / 5
ILE B 299
ILE B 295
VAL B 583
THR B 585
1.30A14.03
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.
3O14_A_NIOA300_1
(ANTI-ECFSIGMA
FACTOR, CHRR)		Niacin4 / 7
ALA C 384
VAL C 510
VAL C 382
LEU C 499
1.03A9.98
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.
4XP6_A_B40A601_1
(TRANSPORTER)		Methamphetamine4 / 5
ASP A 727
VAL A 958
ASP A 961
PHE C 558
1.33A18.29
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.
3FI0_B_TRPB1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		L-Tryptophan4 / 8
GLY B 298
ASP B 296
ILE B 295
VAL B 583
1.08A14.56
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.
3U9F_M_CLMM221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
SER B 500
VAL B 328
PHE B 329
VAL B 382
PHE B 387
1.76A10.69
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.
1GTN_F_TRPF81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan4 / 8
THR A1059
GLY A1113
ALA B 881
ILE A1112
1.00A4.85
None
None
None
NAG  A1310 (-4.6A)
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.
3GWS_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA)		Liothyronine5 / 12
ILE B 905
ALA B 906
ALA B 912
ILE B 704
PHE B 880
1.18A11.51
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.
4XDT_A_ACTA407_0
(FAD:PROTEIN FMN
TRANSFERASE)		Acetic acid3 / 3
ASP C 600
GLY C 579
ASP A 719
1.04A14.03
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.
6MB5_A_NMYA301_0
(AAC(3)-IIIB PROTEIN)		Framycetin5 / 11
TYR A 410
ASP A 385
ASP A 414
GLY A 418
ASP A 376
1.29A13.29
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.
4COX_C_IMNC701_1
(CYCLOOXYGENASE-2)		Indomethacin5 / 12
TYR C 410
TRP C 340
ALA C 384
SER C 500
LEU C 499
1.51A19.65
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.
3ASO_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid4 / 8
LYS C 344
PHE C 329
LEU C 499
PHE C 501
1.16A11.96
4.10
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.
2F6D_A_ACRA996_1
(GLUCOAMYLASE GLU1)		Acarbose4 / 7
ASP C 393
THR C 487
GLY C 488
TYR C 491
1.12A18.33
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.
5VDI_A_IVMA403_0
(GLYCINE RECEPTOR
SUBUNIT ALPHA-3)		Ivermectin5 / 10
THR C 760
SER C 712
ALA C 753
PRO C 845
LEU C 846
1.28A14.63
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.
2NMZ_B_ROCB401_1
(PROTEASE)		Saquinavir6 / 12
LEU C 831
ASP C 825
ASP C 850
ASP C 849
GLY B 655
ILE B 656
1.55A6.18
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.
2AOJ_C_FRDC305_3
(PEPTIDE INHIBITOR)		Amphetamine4 / 5
PHE A 888
ASN A 889
GLN A 883
ILE A 878
1.15A1.25
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.
3ZTV_A_ADNA1600_1
(NAD NUCLEOTIDASE)		Adenosine5 / 9
ASN C 304
GLY C 580
GLY C 579
PHE C 578
SER A 717
1.63A19.02
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)		Teniposide5 / 12
ALA B 284
ILE B 272
LEU B  52
ARG B  48
GLY B 270
1.15A17.51
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.
1JQD_A_HSMA600_1
(HISTAMINE
N-METHYLTRANSFERASE)		Histamine4 / 7
GLU A1074
GLN A1088
TRP B 868
ASN B 889
1.75A13.42
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		Polidocanol5 / 12
ALA C 139
ALA C 237
PHE C 238
THR C 247
PHE C  22
1.06A15.31
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.
3E7G_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		Sapropterin4 / 7
ARG A 183
ILE A 116
TRP A 101
PHE A 185
1.71A14.61
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.
4X3M_B_ADNB301_1
(RNA 2'-O RIBOSE
METHYLTRANSFERASE)		Adenosine5 / 9
PRO B 879
GLY A1113
ILE A 694
SER A 690
THR A1059
1.39A11.28
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.
4KYS_B_VIBB501_1
(THIAMINE
PYRIDINYLASE I)		Thiamine5 / 11
ASP A 392
ILE A 405
THR A 487
TYR A 494
ASP A 393
1.52A17.02
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.
4QTU_D_SAMD301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)		S-Adenosylmethionine4 / 5
GLN B 835
SER A 574
ASP A 554
ASP B  50
1.24A10.47
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.
5VCE_A_RITA602_2
(CYTOCHROME P450 3A4)		Ritonavir4 / 6
ARG B1089
PHE B1085
PHE B1077
THR B1102
1.35A17.88
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.
3UQ6_A_ADNA401_2
(ADENOSINE KINASE,
PUTATIVE)		Adenosine4 / 5
LEU A 499
ALA A 350
PHE A 325
ASN A 381
1.64A16.25
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.
5UH6_C_RFPC1201_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin5 / 12
GLN B 201
ASP B 208
HIS B  33
ARG B 207
HIS B  70
1.79A22.79
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.
3PYY_A_STIA3_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		Imatinib5 / 12
VAL C 510
ALA C 350
GLY C 418
LEU C 499
ALA C 384
1.18A13.11
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.
4KJJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A 152
ALA A 233
ALA A 237
PHE A 138
ILE A 117
1.29A9.42
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.
4Y8W_C_STRC603_2
(CYTOCHROME P450
21-HYDROXYLASE)		Progesterone3 / 3
LEU A 948
VAL C 555
ASP C 554
0.92A16.42
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.
1U18_A_HSMA401_1
(NITROPHORIN 1)		Histamine4 / 4
ASP B 976
LEU B 959
LEU B 978
LEU B 734
1.77A9.63
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.
1LWE_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		Nevirapine4 / 7
LEU C1031
TYR C1049
TYR C1029
GLY C1026
1.22A19.22
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.
2Q72_A_IXXA802_1
(TRANSPORTER)		Imipramine4 / 6
ILE C 955
SER C 956
ARG C 982
ILE C 979
1.27A17.38
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.
3WXO_A_NIZA804_1
(CATALASE-PEROXIDASE)		Isoniazid3 / 3
ASN B 227
GLU A 452
ARG A 449
1.17A20.97
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.
3N8Y_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Diclofenac5 / 11
TYR C 410
TRP C 340
ALA C 384
SER C 500
LEU C 499
1.54A18.25
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.
3RI5_A_IVMA349_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 13
ILE C 455
THR A 106
ASN A 227
ILE A 226
PHE A 157
1.48A14.94
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.
3SUD_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir5 / 12
HIS C1040
ILE C 852
PHE C 805
ALA C1038
ALA C1037
1.38A11.72
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.
5QGQ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid4 / 4
VAL A 496
VAL A 389
TYR A 410
GLN A 396
1.54A9.70
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.
4AZT_A_SAMA1472_0
(METHYLTRANSFERASE
WBDD)		S-Adenosylmethionine5 / 12
ALA B 866
PHE B 779
LEU B 859
VAL B 860
ILE B 787
1.51A19.39
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.
5T8S_B_SAMB402_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		S-Adenosylmethionine4 / 8
ASP A 376
SER B 964
THR A 533
ASP A 415
1.56A15.05
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.
3RI5_A_IVMA349_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 13
ILE B 694
PRO C 879
THR C 865
ILE B 687
THR C 869
1.63A14.94
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.
3BWC_B_SAMB501_0
(SPERMIDINE SYNTHASE)		S-Adenosylmethionine5 / 12
LEU A  58
GLY A 192
ILE A 228
GLY A 225
ASP A 191
1.44A13.32
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.
4DQC_A_017A101_1
(ASPARTYL PROTEASE)		Darunavir5 / 10
ALA B 406
ASP B 407
VAL B 404
VAL B 389
ILE B 405
1.39A6.21
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.
1UNJ_F_DVAF8_0
(7-AMINO-ACTINOMYCIN
D)		L-Valine3 / 3
THR B1059
THR B 693
PRO C 879
1.37A0.95
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.
1E3V_B_DXCB801_0
(STEROID
DELTA-ISOMERASE)		Deoxycholic Acid5 / 11
TYR C 622
TYR C 598
GLY C 580
LEU C 286
ALA C 595
1.55A7.84
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.
5W8A_A_SAMA300_0
(AUTOINDUCER SYNTHASE)		S-Adenosylmethionine5 / 12
LEU C 930
VAL C 763
PHE C 764
ILE C 852
THR C 856
1.20A9.52
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.
6AUU_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
SER B 556
ASN C 838
PHE B 558
ASP B 560
1.34A15.69
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.
6NMP_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
ILE B 916
LEU B1045
THR B 925
LEU B 927
1.24A17.65
4.10
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.
2ZW9_B_SAMB801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		S-Adenosylmethionine4 / 8
ILE B 570
SER C  49
ASP B 572
SER B 542
1.09A20.89
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		Phenylacetic acid3 / 3
VAL B 642
TYR B 677
GLU B 640
1.49A9.12
4.82
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.
6GNE_B_ACRB602_2
(-)		Acarbose4 / 8
VAL A 606
TYR A 598
TRP A 619
HIS A 611
1.63A17.13
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.
3RIF_A_IVMA403_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
GLN B 630
ILE C 826
ASN B 602
ILE C 832
GLY C 824
1.58A14.94
NAG  B1309 ( 4.7A)
None
NAG  B1309 (-1.8A)
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.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		S-Adenosylmethionine5 / 12
GLN A 987
GLN C 947
LEU A 735
LEU A 986
ASN A 746
1.29A12.41
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.
3N3I_A_ROCA201_2
(PROTEASE)		Saquinavir4 / 6
ILE A  81
ILE A 226
GLY A 104
VAL A 196
1.23A10.82
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.
3BBT_D_FMMD91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		Lapatinib5 / 12
ALA C 857
THR C 856
GLY C 862
PHE C1044
LEU C1045
1.36A13.39
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.
5UXC_A_ZITA306_1
(PREDICTED
AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		Azithromycin4 / 7
THR C 517
ARG C 315
PHE C 527
SER C 574
1.30A13.10
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.
5ESG_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole5 / 12
TYR A 771
ILE C 891
TYR C1029
VAL A1015
LEU A 876
1.47A17.94
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.
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
THR C 869
ALA C 866
THR C 863
GLY C 873
SER B 685
1.70A11.09
11.17
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.
2RIW_A_T44A1395_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
ALA B1037
GLN B 931
LEU B 927
LEU B 804
LEU B 930
1.54A13.68
3.86
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.
1TW4_B_CHDB1131_0
(FATTY ACID-BINDING
PROTEIN)		Cholic Acid5 / 10
LEU B  60
VAL B 205
THR B  92
PHE B 253
GLN B 201
1.71A8.31
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.
4IAQ_A_2GMA2001_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 1B AND E.
COLI SOLUBLE
CYTOCHROME B562)		Dihydroergotamine4 / 6
ILE A 244
VAL A  25
SER A 239
ASP A 134
1.30A15.80
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.
5ECN_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Leucine4 / 7
THR B 705
VAL B1050
LYS B1027
HIS B1030
1.50A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPN_A_ZMRA700_1
(NEURAMINIDASE)		Zanamivir5 / 12
ARG C1001
GLU B 999
ARG B1001
ALA A1002
GLU A 999
1.69A16.46
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.
4UW0_A_SAMA1506_0
(WBDD)		S-Adenosylmethionine5 / 12
ARG B1089
GLY C 873
ALA C 872
GLN C 766
LEU C 876
1.48A18.00
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.
3P97_C_SAMC263_0
(NON-STRUCTURAL
PROTEIN 5)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
0.99A12.15
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		Cocaine5 / 11
ALA B 633
VAL B 606
ASP B 605
GLY B 580
PHE B 305
1.27A18.42
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.
3PFG_A_SAMA264_0
(N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
TYR B  88
GLY B 255
ASP B 277
PHE B 253
SER B  35
1.69A11.19
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.
2FL5_F_RBFF204_1
(IMMUNOGLOBULIN IGG1
LAMBDA LIGHT CHAIN
IMMUNOGLOBULIN IGG1
HEAVY CHAIN)		Riboflavin4 / 8
TYR A 408
ARG A 395
VAL A 389
TYR A 440
1.38A10.88
11.57
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.
2KI5_B_AC2B2_1
(PROTEIN (THYMIDINE
KINASE))		Aciclovir5 / 12
ILE A 694
ILE B 878
GLN B 883
MET B 882
TYR B 886
1.47A15.09
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.
5DZK_1_BEZ1801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid3 / 3
LEU B1045
PHE B 909
ILE B 787
1.07A0.41
11.94
10.82
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.
4QT3_A_RAPA202_1
(FK506-BINDING
PROTEIN (FKBP)-TYPE
PEPTIDYL-PROPYL
ISOMERASE)		Sirolimus5 / 10
PHE A 153
GLU A 162
VAL A 124
ILE A 116
PHE A 138
1.77A7.08
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.
3MIY_B_B49B2_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		Sunitinib5 / 9
ALA A  90
PHE A 253
GLY A  39
LEU A  60
SER A  35
1.48A12.33
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.
1WRL_D_TFPD207_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine4 / 8
LEU C 898
PHE C 784
PHE C 880
MET C 884
1.27A5.03
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.
4Q5M_A_ROCA1101_3
(PROTEASE)		Saquinavir3 / 3
ASP A1100
ASP C1100
ASN B1101
1.41A9.83
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.
5E9Q_A_SAMA301_0
(GENOME POLYPROTEIN)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
0.99A11.81
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.
2GL0_B_ADNB902_1
(CONSERVED
HYPOTHETICAL PROTEIN)		Adenosine5 / 11
ASN A 281
TRP A 619
ALA A 284
VAL A 581
TYR A 598
1.53A9.34
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		Febuxostat5 / 12
LEU B 170
SER B 173
PHE B 238
ALA B 250
ALA B 249
0.98A23.25
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.
4PB1_A_RBVA501_1
(NUPC FAMILY PROTEIN)		Ribavirin5 / 12
ALA A 881
ASN A 907
PHE A 782
ASN A 910
ILE A 702
1.51A16.81
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.
5J4N_B_AG2B501_1
(ARGININE/AGMATINE
ANTIPORTER)		Agmatine4 / 6
ILE A 650
GLY A 655
MET A 679
ILE A 652
1.26A17.28
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.
4PSS_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A 152
ALA A 233
ALA A 237
PHE A 138
ILE A 117
1.32A9.42
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.
3ABM_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 6
LEU B  60
ARG B 183
THR B  92
LEU B 209
1.56A17.65
4.10
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.
1D0V_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 8
GLY A  39
GLY A 255
LEU A 257
SER A  35
ARG A  38
1.62A14.87
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.
4UCI_B_ADNB2415_1
(RNA-DIRECTED RNA
POLYMERASE L)		Adenosine4 / 7
GLU A 502
PHE A 379
ARG B 965
PHE A 501
1.80A15.87
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.
1HSH_C_MK1C402_2
(HIV-II PROTEASE)		Indinavir4 / 8
ASP C 825
GLY B 655
ILE B 656
PRO C 844
0.82A6.34
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.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		Pentostatin5 / 12
ASP C 825
ALA B 654
GLY B 655
ASP C 849
ASP C 850
1.68A14.45
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.
3PPO_A_DCKA401_0
(GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN)		L-Carnitine5 / 9
ASN C 457
TYR C 338
ASN C 409
TYR C 442
TYR C 440
1.72A13.17
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.
1S1X_A_NVPA999_1
(REVERSE
TRANSCRIPTASE)		Nevirapine4 / 8
LEU C1031
TYR C1049
TYR C1029
GLY C1026
1.25A19.30
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.
1ZZU_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
SER C 556
ASN A 838
PHE C 558
ASP C 560
1.37A15.64
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.
2HMA_A_SAMA375_0
(PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE)		S-Adenosylmethionine5 / 11
GLY C  77
ASP C 208
ASN C  29
THR C  75
HIS C  70
1.67A14.89
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.
1YMX_B_CFXB1002_2
(BETA-LACTAMASE
CTX-M-9)		Cefoxitin4 / 5
TYR B1070
PRO B1061
THR B1099
THR B1098
1.61A12.39
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.
3IZ0_B_TA1B820_1
(BETA TUBULIN, CHAIN
B FROM PDB 1JFF)		Paclitaxel5 / 12
LEU C 224
PHE C 187
LEU C 194
ARG C 126
GLY C 100
1.22A17.64
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.
3ABL_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.33A11.96
4.10
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.
4A97_I_ZPCI1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Eszopiclone4 / 6
ILE C  81
PHE C  89
HIS C  70
VAL C 205
1.41A12.84
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.
2O4N_A_TPVA300_2
(PROTEASE)		Tipranavir5 / 8
LEU A 222
ALA A 127
ILE A 226
ILE A 115
LEU A 194
1.41A6.23
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.
3R6W_A_NFZA214_1
(FMN-DEPENDENT
NADH-AZOREDUCTASE 1)		Nitrofural5 / 10
VAL C 196
PHE C 185
PHE C 187
PHE C 103
GLY C 100
1.49A10.91
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.
5VKQ_C_PCFC1805_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate5 / 9
GLY C 862
LEU C1031
ILE C 878
PHE C 888
ILE C 905
1.14A21.58
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.
1L5L_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY A  39
GLY A 255
LEU A 257
SER A  35
ARG A  38
1.56A14.81
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.
1MT1_C_AG2C7004_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 6
ALA A 971
LEU A 959
GLU A 972
LEU A 734
1.02A9.21
4.02
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.
5HIE_C_P06C801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib4 / 7
VAL B 196
ILE B 125
ASN B  78
PHE B 187
0.95A13.17
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.
3SI7_D_ACTD5_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		Acetic acid4 / 6
LYS A 291
SER B 740
LYS A 946
GLN B 744
1.75A12.93
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.
2JFA_B_CCSB417_0
(ESTROGEN RECEPTOR)		Carbocisteine3 / 3
GLN A 492
LYS A 390
VAL A 388
1.28A12.05
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.
3BWY_A_SAMA301_0
(COMT PROTEIN)		S-Adenosylmethionine5 / 12
GLY C1041
ILE C1000
SER C 712
GLN C 756
HIS C1040
1.43A10.62
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.
3TGV_B_BEZB1_0
(HEME-BINDING PROTEIN
HUTZ)		Benzoic Acid4 / 6
GLN A 549
TYR B  42
PRO B  43
LEU B 264
1.73A8.22
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.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		Acarbose4 / 7
ASN C 746
ASP C 719
ASP C 727
GLY C 726
1.34A22.18
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.
2J1G_F_SC2F1290_1
(FICOLIN-2)		Acetylcysteine5 / 10
LEU A 538
LEU A 571
ASP A 564
THR A 567
GLU A 569
1.68A11.33
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.
5Z84_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.17A11.96
4.10
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.
5AXD_A_RBVA502_1
(ADENOSYLHOMOCYSTEINA
SE)		Ribavirin5 / 12
THR A  92
GLU A  93
ASP A 208
THR A  31
HIS A  70
1.80A17.35
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.
1P93_B_DEXB2999_1
(GLUCOCORTICOID
RECEPTOR)		Betamethasone5 / 12
GLN B 112
LEU B 224
THR B 150
ILE B 152
PHE B 153
1.50A13.08
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.
1RJD_A_SAMA801_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		S-Adenosylmethionine4 / 6
ARG C 444
ASP C 385
TYR C 383
ASN C 381
1.40A13.41
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.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		Vemurafenib5 / 12
VAL C 394
ALA C 422
LEU C 355
PHE C 387
GLY C 418
1.35A12.62
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.
4O4D_A_ACTA406_0
(INOSITOL
HEXAKISPHOSPHATE
KINASE)		Acetic acid4 / 7
TRP C 423
THR C 425
PHE C 361
SER C 362
1.76A12.06
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.
1GSE_B_EAAB224_1
(GLUTATHIONE
TRANSFERASE)		Etacrynic acid5 / 12
GLY C  39
LEU C 216
LEU C 264
ALA C 275
PHE C 213
1.37A11.48
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.
1K6C_B_MK1B902_1
(POL POLYPROTEIN)		Indinavir5 / 10
ARG A 453
ALA A 384
VAL A 497
GLY A 326
PRO A 335
1.47A5.87
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.
3H9U_A_ADNA439_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 10
LEU A 532
THR A 559
LEU A 538
GLY A 536
PHE A 558
1.78A16.43
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.
2GQG_B_1N1B502_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Dasatinib5 / 12
VAL C 510
ALA C 350
GLY C 418
LEU C 499
ALA C 384
1.09A11.93
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.
6BEC_C_RBTC601_1
(SCAFFOLD PROTEIN D13)		Rifabutin5 / 12
PHE C 185
VAL C 114
PHE C 168
PHE C 103
ILE C 115
1.34A19.98
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		Cefamandole5 / 12
SER A 591
SER A 592
THR A 588
GLY A 587
THR A 585
1.28A12.93
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.
4P68_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 11
ILE A 152
SER A 165
ILE A 164
ILE A 117
THR A 236
1.54A9.65
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.
4KQI_A_NIOA403_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
THR B 841
GLY A 579
LEU B 843
SER A 582
GLY A 634
1.55A14.81
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.
2HZQ_A_STRA300_1
(APOLIPOPROTEIN D)		Progesterone4 / 7
TYR A 723
ASN A 838
PHE C 558
LEU A 944
1.52A8.93
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.
5QGT_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL B 601
TYR B 598
GLN B 599
0.80A9.70
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.
1MNV_D_DVAD8_0
(ACTINOMYCIN D)		L-Valine3 / 3
THR C 773
THR C 775
PRO C 774
1.38A0.95
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.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP A  57
GLU C 502
ASP A  44
GLU A  45
1.62A12.18
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.
3ZQT_A_TESA1000_1
(ANDROGEN RECEPTOR)		Testosterone5 / 12
LEU B 948
LEU B 944
GLN B 992
VAL B 990
ARG B 996
1.63A11.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BGD_A_PM6A302_1
(THIOPURINE
S-METHYLTRANSFERASE)		Mercaptopurine4 / 6
THR C 706
GLN C1036
LEU C 927
LEU C 804
1.32A12.35
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.
4A3U_B_ACTB1358_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		Acetic acid4 / 7
PRO A  61
GLY A 255
VAL A  66
SER A  64
0.95A15.99
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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		Edetic Acid4 / 6
ASN C 119
THR C 121
ASN C 122
ILE C 164
1.35A16.28
NAG  C1302 (-1.8A)
NAG  C1302 (-3.3A)
NAG  C1302 (-3.1A)
NAG  C1302 ( 4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FDU_B_ESTB354_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		Estradiol4 / 8
SER B 561
VAL B 562
LEU B 538
VAL B 525
1.18A13.71
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.
1HPV_B_478B200_2
(HIV-1 PROTEASE)		Amprenavir5 / 9
ALA B 406
ASP B 407
VAL B 404
VAL B 389
ILE B 405
1.40A6.18
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.
5Y2T_B_8LXB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Lobeglitazone4 / 8
PHE A  22
SER A 239
PHE A 137
MET A 151
1.20A12.66
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.
1RTS_B_D16B409_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 7
ASP A  85
LEU A 257
GLY A  86
PHE A 187
1.11A13.31
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.
2G72_A_SAMA2001_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 6
TYR C 195
TYR C 197
TYR C  41
ASN C 189
1.44A12.17
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.
4CPZ_A_ZMRA1471_1
(NEURAMINIDASE)		Zanamivir5 / 12
ARG C1001
GLU B 999
ARG B1001
ALA A1002
GLU A 999
1.74A16.56
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.
2AA6_B_STRB402_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU B 944
ALA B 940
LEU B 749
LEU B 994
THR C 991
1.41A12.27
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.
3W9T_E_W9TE506_1
(HEMOLYTIC LECTIN
CEL-III)		Lactulose4 / 6
THR C 229
ASN C 189
GLY C  86
ASP C  85
1.45A15.76
NAG  C1304 ( 4.6A)
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.
5IMS_B_ACTB713_0
(ACETOLACTATE
SYNTHASE CATALYTIC
SUBUNIT,
MITOCHONDRIAL)		Acetic acid3 / 3
GLY A 552
GLN A 549
LYS A 543
1.66A19.30
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.
1BU5_B_RBFB302_1
(PROTEIN (FLAVODOXIN))		Riboflavin4 / 8
THR B 487
ASP B 480
GLY B 391
ASP B 392
1.08A8.30
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.
4QW0_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
GLN C 769
ALA C 872
GLY C 873
ALA C 875
THR C 869
1.53A11.05
10.78
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.
2EIK_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
LYS C 344
PHE C 329
LEU C 499
PHE C 501
1.15A11.96
4.10
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.
5TUZ_B_SAMB3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		S-Adenosylmethionine5 / 12
SER B 336
TYR B 338
ASN B 479
TYR B 440
PHE B 483
1.74A11.63
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.
5OY0_A_PQNA841_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 11
SER B  64
ARG B  38
ALA B  90
GLY B  39
ILE B 125
1.39A20.10
3.31
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.
3EM0_B_CHDB500_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid4 / 7
GLU A 900
VAL A 897
THR A 894
VAL A 893
1.33A8.25
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.
5KVA_A_SAMA301_1
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
THR B 539
SER B 574
ASP B 605
1.29A11.00
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.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		Cefoxitin5 / 12
SER B 680
SER B 645
GLU B 647
GLY B 682
ALA B 683
1.71A12.99
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.
3V7P_A_BEZA430_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		Benzoic Acid4 / 7
ILE B 226
GLY B 104
SER B 111
LEU B 132
1.11A15.10
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.
1HMY_A_SAMA328_0
(HAEIII
METHYLTRANSFERASE)		S-Adenosylmethionine4 / 8
GLU A 801
ASP A 849
ILE A 852
THR A 848
1.00A14.41
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.
1KIA_B_SAMB1293_1
(GLYCINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
ASP A 564
SER A 568
ASN A 530
SER A 516
1.59A12.51
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.
5EHG_C_SAMC4001_0
(RNA-DIRECTED RNA
POLYMERASE NS5)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
1.02A12.28
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.
1I3W_E_DVAE8_0
(ACTINOMYCIN D)		L-Valine3 / 3
THR B1059
THR B 693
PRO C 879
1.31A0.95
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.
4KTV_A_ADNA403_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		Adenosine5 / 12
PRO B 968
SER B 956
ASP B 967
ASP B 961
ILE B 955
1.60A15.96
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.
6AG0_A_ACRA606_0
(ALPHA-AMYLASE)		Acarbose4 / 7
GLY A 871
GLY A 873
GLY C1028
GLY C1026
1.09A18.85
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.
1A7Y_A_DVAA8_0
(ACTINOMYCIN D)		L-Valine3 / 3
THR B1059
THR B 693
PRO C 879
1.37A0.95
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.
2H79_A_T3A1_1
(THRA PROTEIN)		Liothyronine5 / 12
ILE B 905
ALA B 906
ALA B 912
ILE B 704
PHE B 880
1.22A12.35
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.
3DAU_A_MTXA201_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
SER B 165
ILE B 117
THR B 146
0.80A9.42
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.
5ZCO_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.20A11.96
4.10
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.
4CPZ_E_ZMRE1471_1
(NEURAMINIDASE)		Zanamivir5 / 12
ARG C1001
GLU B 999
ARG B1001
ALA A1002
GLU A 999
1.77A16.56
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		Tolfenamic Acid5 / 12
VAL B 420
PHE B 325
ILE B 345
VAL B 510
VAL B 498
1.39A12.76
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.
1HPV_B_478B200_1
(HIV-1 PROTEASE)		Amprenavir5 / 9
LEU C 831
ASP C 825
GLY B 655
ILE B 656
PRO C 844
1.59A6.18
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_A_ESTA601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
ALA C  90
GLU C 184
LEU C 182
ARG C  38
HIS C  70
1.74A11.91
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.
3HZN_G_ACTG225_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		Acetic acid3 / 3
PRO A1035
LEU A1045
GLN A1036
0.81A10.40
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.
1NW5_A_SAMA401_0
(MODIFICATION
METHYLASE RSRI)		S-Adenosylmethionine5 / 12
ASP A 208
PRO A  28
PHE A  69
ALA A 251
ALA A 250
1.41A14.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VL2_A_BEZA1162_0
(PEROXIREDOXIN-5)		Benzoic Acid5 / 10
THR A1087
GLY A1075
PHE A1091
ARG A1089
GLY A 892
1.76A9.55
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.
2O1O_B_RISB400_1
(PUTATIVE FARNESYL
PYROPHOSPHATE
SYNTHASE)		Risedronate5 / 10
ASP A 171
ARG A 183
THR A 236
GLN A 147
ASN A 118
1.53A15.73
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.
2TSR_C_D16C509_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 10
PHE A  89
ASP A  85
LEU A 257
GLY A  86
PHE A 187
1.77A13.31
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.
5JI0_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 11
ILE C 724
LEU C 959
LEU C 735
VAL C 718
LEU C 948
1.38A10.70
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)		Tenofovir4 / 7
ASP B 191
ASP A 415
ASP A 414
LYS B 190
1.49A19.25
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.
1BX4_A_ADNA350_1
(PROTEIN (ADENOSINE
KINASE))		Adenosine5 / 12
GLY A 655
GLY A 653
ALA A 658
LEU A 636
ASP B 757
1.28A14.47
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.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		Vemurafenib5 / 12
GLY B 625
ALA B 595
ILE B 652
ALA B 676
GLY B 580
1.31A13.54
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.
4CX7_D_H4BD600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		Sapropterin4 / 7
TRP A 101
PHE A 185
ARG A 183
ILE A 116
1.73A15.06
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.
3OHT_A_1N1A1000_2
(P38A)		Dasatinib3 / 3
GLU C1054
LEU A 876
LEU A1016
1.08A15.93
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.
6FBV_D_FI8D1904_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		Fidaxomicin4 / 8
LYS B 333
ARG B 495
VAL B 354
GLN B 492
1.37A23.46
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.
1M2Z_D_DEXD401_1
(GLUCOCORTICOID
RECEPTOR)		Betamethasone5 / 12
MET C 107
THR C 150
ILE C 117
PHE C 138
LEU C 235
1.59A11.86
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.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		Terazosin5 / 12
GLY A 871
GLY A 867
THR C 693
LEU A 876
GLY A 862
1.28A16.35
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.
3T3Q_A_9PLA501_1
(CYTOCHROME P450 2A6)		Pilocarpine5 / 10
PHE A 103
PHE A  83
ASN A 189
PHE A 187
ILE A 125
1.34A17.20
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.
5X24_A_LSNA503_1
(CYTOCHROME P450 2C9)		Losartan4 / 6
PHE B 316
PRO B 513
GLY B 512
LYS B 373
1.34A16.79
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.
2FXD_A_DR7A102_1
(POL PROTEIN)		Atazanavir5 / 11
LEU B 222
GLY B 100
ILE B 117
PHE B 220
VAL B 196
1.31A6.05
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.
3OXC_A_ROCA401_3
(PROTEASE)		Saquinavir5 / 12
ALA B 676
ILE B 674
GLY B 638
ILE B 637
ILE B 652
1.16A6.18
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.
2AOH_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine4 / 5
LEU C 831
ASP C 825
GLY B 655
PRO C 844
1.49A6.18
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.
6F88_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		Progesterone4 / 6
LEU C 224
ALA C 127
THR B 509
ASN B 347
1.45A15.08
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.
5SYF_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL A 389
ASP A 393
ASP A 385
ALA A 422
ARG A 395
1.33A16.88
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.
1GTN_J_TRPJ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan4 / 8
THR A1059
GLY A1113
ALA B 881
ILE A1112
0.96A4.85
None
None
None
NAG  A1310 (-4.6A)
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.
4WBO_C_ANWC601_0
(RHODOPSIN KINASE)		Amlexanox4 / 6
LEU A 994
ALA A 997
MET A 713
LEU A 749
1.20A17.55
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.
3BWC_B_SAMB501_1
(SPERMIDINE SYNTHASE)		S-Adenosylmethionine4 / 5
GLN C 818
ASP B 554
ASP B 557
THR C  51
1.47A13.32
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.
1RUK_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		Benzoic Acid4 / 8
ALA C 872
LEU C1016
GLY C1017
GLY C 867
1.16A11.89
11.50
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.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)		Cetirizine5 / 9
ASP B 351
LEU B 374
GLY B 512
LEU B 377
LEU B 499
1.28A19.36
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.
5HW8_B_FK5B201_1
(FK506-BINDING
PROTEIN 1)		Tacrolimus5 / 11
PHE B  76
VAL B  97
ILE B 117
ILE B 115
ILE B 116
1.27A7.57
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.
4JKS_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ASN B 951
ASP C 976
GLY B 953
ILE C 979
THR C 980
1.17A13.89
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.
6EXI_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
LEU B 948
GLY B 726
PHE A 578
0.88A17.51
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.
5KR2_C_ROCC101_2
(PROTEASE PR5-SQV)		Saquinavir5 / 9
LEU C 235
ASN C  78
ILE C 115
VAL C  98
ILE C 234
1.46A6.27
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.
1LQU_A_ACTA1428_0
(FPRA)		Acetic acid4 / 7
PRO B 210
ALA B  90
PHE B 253
SER B  35
1.29A16.44
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.
4NDN_A_SAMA407_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
ALA B1008
GLU B 762
ASP B 757
ILE B 852
1.16A16.19
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.
4HXY_B_ACAB502_1
(PLM1)		Aminocaproic Acid4 / 7
VAL B 276
SER B 292
MET B 263
LEU B  54
1.64A15.44
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.
5A06_D_SORD1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		Sorbitol4 / 6
LYS C 142
GLU C 174
GLY C 145
ASP C 171
1.76A14.39
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.
2M9P_B_BEZB251_0
(SERINE PROTEASE
INHIBITOR
SERINE PROTEASE
SUBUNIT NS2B, SERINE
PROTEASE NS3)		Benzoic Acid3 / 3
VAL B 140
SER B 173
GLY B 145
0.90A11.85
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.
4CTJ_A_SAMA1263_0
(NON-STRUCTURAL
PROTEIN 5)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
1.00A12.28
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.
3OHT_A_1N1A1000_1
(P38A)		Dasatinib5 / 12
VAL A  98
GLY A 100
ALA A  91
LEU A 216
PHE A 187
1.32A15.93
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.
5JW1_B_CELB602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib4 / 6
VAL C 945
VAL C 718
ARG C 996
ILE C 752
0.78A18.54
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.
3RIF_A_IVMA403_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE B 724
SER B 717
ASN B 746
ASP B 719
GLY B 839
1.64A14.94
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.
3KP5_A_KANA2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		Kanamycin5 / 11
ASN A  29
THR A  75
ALA A 250
GLU A  93
ASN A  78
1.62A9.25
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.
5WEA_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
LEU C 538
LYS C 521
LEU C 571
GLU C 569
1.64A21.08
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.
1PXX_B_DIFB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Diclofenac5 / 9
VAL A 808
LEU A 927
LEU A1045
VAL A 708
ALA A1038
1.62A19.41
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.
3DL9_A_V2HA602_0
(CYTOCHROME P450 2R1)		Doxercalciferol5 / 12
THR B 631
VAL B 581
VAL B 606
ILE B 299
THR B 302
0.96A15.54
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.
5ZOV_B_ASCB501_0
(PTS
ASCORBATE-SPECIFIC
SUBUNIT IIBC)		Vitamin C5 / 12
TYR A 266
GLN C 549
ARG A  48
ASP A  44
ILE A 272
1.69A17.54
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.
5B1B_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.22A11.96
4.10
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.
1PK2_A_ACAA91_1
(TISSUE-TYPE
PLASMINOGEN
ACTIVATOR)		Aminocaproic Acid4 / 8
VAL B 497
ASP B 429
LEU B 355
TRP B 423
1.69A5.40
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.
5O96_G_SAMG501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 11
GLY A 867
GLY A 862
SER A1012
THR A 869
ALA A 872
1.02A12.07
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.
3UT5_B_LOCB502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
ALA B 872
ASN A1090
THR A1087
ILE B 878
ILE A 694
1.39A16.65
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.
5ZCP_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.16A11.96
4.10
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.
3K39_A_BCZA1001_0
(NEURAMINIDASE)		Peramivir5 / 12
ARG C1001
GLU B 999
ARG B1001
ALA A1002
GLU A 999
1.61A15.86
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.
4IMA_D_ADND604_1
(PYRUVATE KINASE)		Adenosine3 / 3
ARG C1001
GLU C 755
ASN C 759
1.30A18.70
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.
3P97_A_SAMA263_0
(NON-STRUCTURAL
PROTEIN 5)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
1.02A12.15
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.
1Z9Y_A_FUNA500_1
(CARBONIC ANHYDRASE
II)		Furosemide5 / 12
HIS A 611
VAL A 606
PHE A 305
VAL A 581
THR A 624
1.41A11.85
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.
6ELI_A_T27A701_1
(REVERSE
TRANSCRIPTASE)		Rilpivirine5 / 12
VAL C 388
VAL C 337
TYR C 440
PRO C 493
PHE C 483
1.65A19.01
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.
6BXL_A_SAMA401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		S-Adenosylmethionine5 / 12
LEU C 823
SER C 712
LYS C 715
ASP C 757
ASP C 850
1.54A15.80
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.
5KQY_B_017B101_2
(PROTEASE E35D-DRV)		Darunavir4 / 7
GLY A  39
ASP A  57
GLY A  86
ILE A  87
0.91A6.27
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.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		Levomefolic acid5 / 12
HIS A  74
ILE A  72
LEU A 235
GLY A  77
VAL A  97
1.51A12.00
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.
3SO9_A_017A100_1
(HIV-1 PROTEASE)		Darunavir4 / 8
GLY A  39
ASP A  57
GLY A  86
ILE A  87
0.89A5.37
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.
4AZS_A_SAMA1475_0
(METHYLTRANSFERASE
WBDD)		S-Adenosylmethionine5 / 12
TYR A 252
GLY A 100
PHE A 103
ILE A 115
LEU A 235
1.65A19.39
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.
5YKF_B_GBMB2001_1
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8 ISOFORM X2)		Glyburide5 / 11
ARG C  48
ILE C 272
LEU C  52
LEU C  54
THR C 215
1.70A21.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HW8_G_FK5G201_1
(FK506-BINDING
PROTEIN 1)		Tacrolimus3 / 3
ILE B 234
PRO B 136
ILE B 152
0.89A7.57
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.
3B7P_C_SPMC503_1
(SPERMIDINE SYNTHASE)		Spermine5 / 12
TYR A 195
ASP A  57
ASP C 415
GLU C 502
PRO C 450
1.60A13.62
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.
2AA5_A_STRA301_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
ASN C 937
ALA C 938
GLN C 939
ARG A 747
THR C 716
1.75A12.27
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.
5F8Y_A_X6XA201_1
(GALNAC/GAL-SPECIFIC
LECTIN)		Glucosamine5 / 9
HIS B1030
TYR B1029
GLY B1028
GLY B1026
HIS B1046
1.57A7.16
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		Doxercalciferol3 / 3
VAL A  98
LEU A 235
GLY A  77
0.60A15.54
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.
6C2M_D_SUED1202_0
(NS3 PROTEASE)		Grazoprevir5 / 12
HIS C1040
ILE C 852
PHE C 805
ALA C1038
ALA C1037
1.32A10.13
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
MET A1011
LEU A 859
VAL A 711
GLY A1041
1.15A14.03
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		Clotrimazole6 / 12
THR B 865
ILE B 878
ALA B 866
THR B 869
ALA B 874
ALA A 695
1.56A16.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X1L_A_ADNA601_1
(METHIONYL-TRNA
SYNTHETASE)		Adenosine5 / 11
ALA A1037
ALA A1038
GLU A 801
ASP A 849
ILE A 852
1.42A18.40
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.
4QI9_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 754
ASP A 757
LEU A 846
ILE C 584
LEU C 597
1.57A8.55
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.
2C8A_B_NCAB1246_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		Nicotinamide4 / 7
GLY C 177
SER C  95
PHE C 179
GLU C  93
1.44A10.37
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.
2EJF_B_ADNB2002_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		Adenosine4 / 6
ARG C 761
GLU C 755
ASN C1005
ALA C1004
1.53A12.19
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.
2QR2_B_VK3B236_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		Menadione4 / 5
GLY C 862
GLY C 867
PHE C 784
PHE C 880
1.79A11.60
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.
4IP7_D_ADND604_1
(PYRUVATE KINASE
ISOZYMES L)		Adenosine3 / 3
ARG C1001
GLU C 755
ASN C 759
1.27A18.70
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.
2PRG_A_BRLA1_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone3 / 3
ILE B 116
ILE B 234
LEU B 216
0.85A12.65
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.
1YA3_A_STRA1001_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
ASN C 937
ALA C 938
GLN C 939
ARG A 747
THR C 716
1.77A11.77
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.
5VLM_E_CVIE301_1
(REGULATORY PROTEIN
TETR)		Gentian Violet4 / 7
GLN B  56
TYR B 197
ASP B  44
ASP A 557
0.93A8.53
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.
4V2G_B_CTCB222_0
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		Chlortetracycline5 / 12
ASN A 118
THR A 236
VAL A 140
GLN A 147
SER A 169
1.63A10.48
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.
3FSU_A_C2FA995_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		Levomefolic acid5 / 12
LEU A 804
SER A 798
GLN A 917
LEU A 920
THR A 923
1.33A13.74
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.
4GKH_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP A  57
GLU C 502
ASP A  44
GLU A  45
1.50A12.18
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.
3V4T_H_ACTH503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid4 / 7
ARG A 232
ALA A 233
ILE A  81
GLY A  77
1.23A15.33
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.
5D0Y_A_FOLA201_0
(CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN)		Folic Acid5 / 12
GLN B 744
GLY B 739
SER A 289
THR A 302
ASN B 746
1.31A10.12
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.
3EJ8_A_H4BA1902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		Sapropterin4 / 7
ARG A 183
ILE A 116
TRP A 101
PHE A 185
1.69A14.61
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.
5VSF_B_SAMB3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		S-Adenosylmethionine5 / 12
GLY B1075
TYR C 899
ASN C 889
PHE B1103
ARG B1073
1.46A11.63
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.
3JAF_A_IVMA503_0
(GLYCINE RECEPTOR
SUBUNIT ALPHAZ1)		Ivermectin6 / 12
VAL B 860
LEU B1045
ILE B 787
ILE B 800
LEU B 920
LEU B 803
1.70A14.30
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.
4CCQ_A_ACTA1317_0
(THIOREDOXIN
REDUCTASE)		Acetic acid3 / 3
LEU B 286
GLU B 285
SER B 289
1.23A14.71
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.
2O4P_A_TPVA300_1
(PROTEASE)		Tipranavir5 / 11
LEU C 831
ASP C 825
GLY B 655
ILE B 656
PRO C 844
1.48A6.27
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		Dalfopristin5 / 12
ILE B  87
ASN B  78
LEU B 235
PRO B  79
VAL B  97
1.67A10.70
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		Vorapaxar5 / 12
LEU C 846
LEU B 681
ALA C 857
ALA C 858
TYR C 855
1.37A16.91
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.
5AMI_B_EF2B151_1
(CEREBLON ISOFORM 4)		Thalidomide4 / 8
ASN C 381
PHE C 501
SER C 500
TYR C 410
1.59A8.70
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.
2OAX_D_SNLD4001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU A 941
ASN A 937
ALA A 714
LEU A 843
LEU A 749
1.68A11.77
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.
1DDS_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 754
ASP A 757
LEU A 846
ILE C 584
LEU C 597
1.57A9.42
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.
1FAP_A_RAPA108_1
(FK506-BINDING
PROTEIN)		Sirolimus5 / 12
ASP B 719
PHE A 305
GLN A 630
VAL A 601
PHE A 578
1.38A6.28
None
None
NAG  A1306 (-3.7A)
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		Ketoconazole5 / 11
PHE B 103
ALA B 233
ALA B 251
ALA B 249
LEU B 235
1.46A16.09
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.
5DNU_A_BEZA319_0
(SHKAI2IB)		Benzoic Acid4 / 5
GLN C1036
HIS C1046
ILE C 916
ILE C 704
1.56A12.50
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.
5C0O_H_SAMH301_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		S-Adenosylmethionine4 / 5
THR A 402
GLY A 400
GLU A 452
ASP A 407
1.54A11.14
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.
4NOS_D_H4BD3011_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		Sapropterin4 / 6
TRP B 101
PHE B 185
ARG B 183
ILE B 116
1.72A14.50
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.
6D9K_F_ACTF802_0
(UNCHARACTERIZED
PROTEIN)		Acetic acid3 / 3
TYR C 598
ALA C 577
LEU C 615
1.20A21.16
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.
4QVL_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 9
THR A  92
SER A  95
ALA A 251
ALA A 249
THR A  71
1.76A11.05
10.78
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.
2HYY_D_STID600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
MET A 713
ILE A 752
THR A 716
LEU A 944
ALA A 940
1.35A11.96
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.
4U14_A_0HKA2000_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3)		Tiotropium5 / 12
ILE C 674
THR A 848
ALA C 654
ALA C 633
TYR C 677
1.55A17.17
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.
5LRB_A_ACRA1003_1
(ALPHA-1,4 GLUCAN
PHOSPHORYLASE)		Acarbose4 / 6
GLU C 502
THR C 509
TYR C 383
PHE A 193
1.61A21.37
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.
4UCI_A_ADNA2414_1
(RNA-DIRECTED RNA
POLYMERASE L)		Adenosine4 / 6
GLU A 502
PHE A 379
ARG B 965
PHE A 501
1.78A15.87
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.
3M0W_A_P77A203_1
(PROTEIN S100-A4)		Prochlorperazine5 / 10
ASP C 554
SER C 556
PHE A 837
LEU C 538
ASP C 572
1.66A6.74
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.
6EBP_B_DAHB123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		Levodopa5 / 10
PHE C 741
LEU C 745
THR C 743
GLY C 739
ILE C 724
1.34A14.06
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.
5FHZ_B_REAB602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		Tretinoin5 / 9
ILE B 724
GLY B 726
LEU B 959
GLN B 987
LEU B 948
1.57A17.43
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.
2XZ5_D_ACHD1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Acetylcholine4 / 8
THR B 894
GLN B1088
SER B1093
SER A1105
1.14A11.06
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.
2HA6_A_SCKA902_1
(ACETYLCHOLINESTERASE)		Succinylcholine5 / 10
ASN B 158
ASP A 454
THR B 229
GLU A 452
LEU A 448
1.72A17.58
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.
1USQ_A_CLMA1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		Chloramphenicol4 / 7
PRO A1072
GLY A1075
THR A1059
ILE A 694
0.95A8.63
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.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		Nilotinib5 / 12
LEU B  58
LEU B 257
ILE B  87
ALA B 233
PHE B 185
1.39A14.93
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.
1ME7_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		Mycophenolic acid5 / 8
ASP B 649
SER B 659
ILE B 656
GLY B 653
GLY B 298
1.48A18.30
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.
4NPT_A_017A401_1
(PROTEASE)		Darunavir5 / 9
ILE A1115
GLY A1113
ILE A1112
ILE A 694
VAL A1076
1.28A6.47
None
None
NAG  A1310 (-4.6A)
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.
2I91_A_ACTA601_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)		Acetic acid4 / 7
SER A 690
ALA A 688
THR A 693
ASN A1056
1.08A19.44
None
NAG  A1316 ( 4.9A)
None
NAG  A1316 (-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.
1TDR_B_MTXB170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 10
ALA A 754
ASP A 757
LEU A 846
ILE C 584
LEU C 597
1.60A9.52
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.
3A8I_A_C2FA401_0
(AMINOMETHYLTRANSFERA
SE)		Levomefolic acid5 / 12
ILE C 345
TYR C 352
VAL C 510
PHE C 329
TYR C 383
1.62A15.45
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.
4KEB_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE C  81
ALA C 233
LEU C 235
PHE C  69
ASN C  29
1.25A10.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPN_B_ZMRB700_1
(NEURAMINIDASE)		Zanamivir5 / 12
ARG C1001
GLU B 999
ARG B1001
ALA A1002
GLU A 999
1.75A16.46
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.
4ANS_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib5 / 9
VAL C 510
ALA C 350
GLY C 418
LEU C 499
ALA C 384
1.20A14.00
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.
5NNA_A_BZMA301_0
(ISATIN HYDROLASE A)		Benzyl Benzoate6 / 12
ILE B 345
LEU B 499
VAL B 510
ASP B 351
GLY B 512
TYR B 352
1.73A12.14
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.
1HK1_A_T44A3003_1
(SERUM ALBUMIN)		Levothyroxine4 / 6
HIS A 181
ILE A 203
ALA A 251
VAL A 205
1.27A17.51
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.
3ASO_J_CHDJ60_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid4 / 6
LEU B  60
ARG B 183
THR B  92
LEU B 209
1.54A17.65
4.10
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.
5M5B_A_SAMA1001_0
(NS5
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
1.02A13.19
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.
4IV0_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
TYR C 723
GLY C 726
ILE C 979
ASP C 976
ILE C 975
1.53A12.80
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.
5QGO_A_ACTA302_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid4 / 4
VAL A 496
VAL A 389
TYR A 410
GLN A 396
1.45A9.70
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.
4KTT_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
HIS C 445
PRO C 466
SER A 111
SER A 113
1.58A15.96
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.
2BM9_D_SAMD301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine3 / 3
ASP C 554
ASP C 572
ASN A 838
1.17A10.86
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.
2QX6_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Melatonin4 / 6
PHE B 329
ILE B 345
PHE B 325
GLY B 512
1.16A11.60
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.
2H42_C_VIAC903_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Sildenafil5 / 12
LEU A 681
ALA A 683
ALA B 875
PHE B 870
ILE A 687
1.19A13.74
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.
3CL9_A_MTXA602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		Methotrexate5 / 12
ALA B 233
THR B  67
LEU B 209
PRO B 210
ARG B  38
1.49A16.64
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.
2B0Q_A_NMYA305_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E)		Framycetin5 / 12
ASP A 560
SER A 561
ARG B  48
ASP A 554
ASP B  44
1.66A12.65
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.
2C49_B_ADNB1301_1
(SUGAR KINASE MJ0406)		Adenosine4 / 7
ALA C 872
ASP B1023
GLY C 871
GLY C 873
1.27A13.59
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.
5XDQ_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.14A11.96
4.10
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.
3LN1_C_CELC682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib4 / 7
GLN A 112
LEU A 222
ARG C 342
ILE A 226
1.43A19.31
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.
3HCO_B_CHDB1_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 4
LEU B 222
PRO B 223
LEU B 224
ARG B 126
1.52A14.03
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.
3U88_A_CHDA611_0
(MENIN)		Cholic Acid3 / 3
SER C 556
PHE A 837
LYS A 836
1.64A18.62
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.
5FSA_A_X2NA590_1
(CYP51 VARIANT1)		Posaconazole5 / 12
ALA C1004
LEU C 859
PHE C 870
GLY C 867
PHE C1044
1.26A18.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SBR_B_VIBB504_1
(YKOF)		Thiamine4 / 6
PRO B 844
LEU A 636
ILE A 652
SER A 582
1.35A10.19
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.
2AB2_A_SNLA502_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
ASN C 937
ALA C 938
GLN C 939
ARG A 747
THR C 716
1.78A12.27
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.
2ZM9_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		Aminocaproic Acid5 / 9
ALA A 595
TYR A 622
ILE A 637
GLY A 638
HIS A 611
1.75A17.24
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.
5VOO_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid5 / 12
ARG C 544
GLY A 270
LEU C 532
PHE C 548
ILE C 570
1.11A13.25
NAG  A1302 (-4.1A)
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.
1DG5_A_TOPA201_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 11
ILE B 652
ALA B 676
ILE B 674
PRO B 282
ILE B 299
1.52A8.77
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.
4RJD_B_TFPB203_1
(CALMODULIN)		Trifluoperazine4 / 7
LEU C 847
MET C 851
ALA C 854
MET C 770
1.27A4.17
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.
3RIA_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
SER A 985
ILE B 979
GLY B 739
LEU B 986
GLN B 987
1.46A14.94
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.
3NDI_A_SAMA601_0
(METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLU A 801
PHE A1044
PHE A1034
ALA A 853
THR A 856
1.48A15.97
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.
2WBE_B_TA1B1439_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
LEU C 224
PHE C 187
LEU C 194
ARG C 126
GLY C 100
1.25A17.64
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.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)		Bifonazole4 / 7
PHE B1024
GLY B1026
THR B1048
ILE B 704
1.11A17.30
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.
2F94_F_BFQF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		Ibandronate5 / 12
ASP A 171
ARG A 183
THR A 247
THR A 236
GLN A 147
1.43A15.23
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.
5KQX_A_ROCA101_2
(PROTEASE E35D-SQV)		Saquinavir5 / 9
LEU C 257
VAL C 254
ILE C  81
ILE C 228
ILE C  87
1.47A6.27
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.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 9
PHE A  89
ARG A 183
LEU A 216
GLY A  39
TYR A  42
1.52A13.38
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.
3N62_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE)		Mannitol4 / 8
SER B 556
ASN C 838
PHE B 558
ASP B 560
1.41A15.70
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.
2Q83_A_ADNA1_1
(YTAA PROTEIN)		Adenosine4 / 7
ILE C  81
PRO C 136
LEU C 235
ILE C 234
1.22A14.96
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.
4GKH_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP A  57
GLU C 502
ASP A  44
GLU A  45
1.57A12.18
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.
4KJK_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 916
LYS B 911
THR B1048
ILE B 702
ILE B 704
1.55A9.42
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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		Pentamidine5 / 11
LEU C 597
ASP A 719
GLN C 301
GLY C 580
GLY C 579
1.63A12.15
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.
4DRH_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		Sirolimus5 / 12
TYR A  41
ASP A  57
ILE A 272
TYR A 266
PHE A  59
1.69A8.01
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.
5Y80_A_IREA402_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 11
SER A1033
ILE A 916
THR A 706
ILE A 800
GLN A1036
1.46A12.84
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.
2XPW_A_OTCA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		Oxytetracycline5 / 12
LEU B 920
SER B 924
PRO B1039
VAL B 808
GLN B 931
1.70A10.48
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.
3CJT_G_SAMG302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY C 104
SER C 105
ILE C 116
LEU C 224
LEU C 222
1.06A12.06
None
NAG  C1304 ( 4.7A)
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.
1MRG_A_ADNA300_1
(ALPHA-MOMORCHARIN)		Adenosine5 / 9
ILE A 995
ILE C 995
ALA A 998
GLU C 999
ARG A1001
1.31A12.71
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.
5HNW_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL A 124
GLU A 162
PHE A 130
LEU A 132
ARG A  18
1.38A16.50
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.
5B3S_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
PHE B  89
ARG B  99
THR B 236
LEU B 235
1.31A17.65
4.10
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.
2AOH_C_FRDC305_3
(PEPTIDE INHIBITOR)		Amphetamine4 / 5
PHE A 888
ASN A 889
GLN A 883
ILE A 878
1.13A1.11
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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)		Ibudilast4 / 7
PHE A 387
TYR A 410
PRO A 413
TRP A 340
1.61A7.21
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.
3OXX_A_DR7A100_2
(HIV-1 PROTEASE)		Atazanavir5 / 11
LEU C 636
ALA C 658
ASP C 649
GLY C 298
ILE C 652
1.33A6.26
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.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 871
GLU A1013
GLY A1017
GLY A 873
PRO C1051
1.11A11.81
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.
4YPA_A_SAMA3004_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		S-Adenosylmethionine5 / 12
ASP B 392
TYR B 491
TYR B 440
GLN B 396
ILE B 405
1.77A9.99
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.
2I30_A_SALA1200_1
(SERUM ALBUMIN)		Salicylic acid4 / 4
LEU C 286
ILE C 299
ILE C 584
ALA C 595
1.32A17.51
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.
2Q6H_A_CXXA801_1
(TRANSPORTER)		Clomipramine5 / 11
GLN A 550
ILE A 573
PHE A 529
LEU A 571
ASP A 564
1.52A17.38
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.
5TAT_B_CFFB5102_1
(RYANODINE RECEPTOR 1)		Caffeine4 / 6
ILE B  81
TRP B 101
ILE B  87
TYR B 252
1.56A12.56
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.
2VAX_H_CSCH1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		Cephalosporin C5 / 12
THR B 236
LEU B 235
TYR B 200
PHE B 238
VAL B 172
1.53A18.07
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.
5MIO_B_LOCB502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
ALA B 872
ASN A1090
THR A1087
ILE B 878
ILE A 694
1.28A16.82
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.
2OBV_A_SAMA501_0
(S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1)		S-Adenosylmethionine4 / 8
ASP C 415
SER C 380
PHE C 379
ASP A 191
1.65A15.43
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.
4ACB_B_DXCB1473_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid4 / 8
ILE A  87
GLY A  86
VAL A  66
SER A  36
1.00A17.68
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.
2G70_A_SAMA2001_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 7
TYR C 195
TYR C 197
TYR C  41
ASN C 189
1.43A12.17
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.
4ODJ_A_SAMA500_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		S-Adenosylmethionine4 / 7
PRO C 413
ASP C 415
SER A 956
ASP C 414
1.79A15.96
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.
3E7G_D_H4BD3902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		Sapropterin4 / 8
TRP B 101
PHE B 185
ARG B 183
ILE B 116
1.71A14.61
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.
3V4T_E_ACTE503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid3 / 3
GLN B  32
THR B  34
ASN B  65
1.09A15.33
NAG  B1301 (-3.5A)
None
NAG  B1301 (-1.8A)
Potential target for repurposing, i.e. matched protein structure has less than 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_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		Imatinib5 / 12
VAL C 510
ALA C 350
GLY C 418
LEU C 499
ALA C 384
1.17A13.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OY0_2_PQN2843_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		Phylloquinone5 / 12
PHE A 361
SER A 362
TRP A 423
ILE A 428
ALA A 422
1.50A20.16
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.
6EF6_A_BEZA401_0
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		Benzoic Acid5 / 9
LEU B 843
SER B 717
THR B 841
PHE A 578
VAL A 601
1.71A14.27
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.
2Z2P_B_DOLB2003_1
(VIRGINIAMYCIN B
LYASE)		Dalfopristin5 / 10
ASN A  73
THR A  71
GLY A 177
SER A  95
GLU A 174
1.28A13.84
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.
4S0V_A_SUVA2001_1
(HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE)		Suvorexant5 / 12
TRP B 868
VAL A 897
GLN A1088
GLU A1074
TYR A1049
1.62A17.92
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.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 12
ALA A 875
TYR A 886
GLY A 871
ALA A 872
TYR C1029
1.48A12.58
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.
4M11_A_MXMA606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Meloxicam5 / 12
LEU A 735
ARG A 982
VAL A 718
LEU A 840
LEU A 983
1.32A18.38
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.
5TZO_A_7V7A201_1
(ENDO-1,4-BETA-XYLANA
SE A)		Fentanyl4 / 8
TYR C 989
THR C 943
ARG A 747
GLN A 744
1.36A9.92
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.
5JSD_A_1GNA607_1
(PHIAB6 TAILSPIKE)		Glucosamine3 / 3
THR B 644
SER B 645
TYR B 646
0.76A21.86
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.
4O2B_B_LOCB503_2
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
ALA B 872
ASN A1090
THR A1087
ILE B 878
ILE A 694
1.26A16.82
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.
2PO5_A_CHDA502_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
MET A1011
LEU A 859
VAL A 711
GLY A1041
1.12A14.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YFB_B_ACTB501_0
(METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER)		Acetic acid4 / 6
ASP A 649
VAL A 675
ILE A 674
TYR A 677
1.46A12.47
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.
4DJF_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		Levomefolic acid5 / 12
ASN C 108
ILE C 115
GLY C 104
SER C 105
ASN C 230
1.45A13.00
None
None
None
NAG  C1304 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYU_A_SAMA201_0
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		S-Adenosylmethionine5 / 12
GLY C 403
ALA C 406
GLY C 400
ALA C 398
LEU C 448
1.42A9.21
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		Quinine5 / 12
ALA A 864
SER A 861
GLY A 780
PHE A 909
GLN A 786
1.62A11.04
11.76
None
None
None
None
NAG  A1314 (-4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I1O_F_DVAF9_0
(D-VILLIN HEADPIECE
SUBDOMAIN
VILLIN-1)		L-Valine3 / 3
ALA B1002
ASN B1005
LEU B1006
0.30A2.55
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.
3TEG_A_DAHA416_1
(PHENYLALANYL-TRNA
SYNTHETASE,
MITOCHONDRIAL)		Levodopa5 / 12
THR B 863
GLY B 871
GLY B 867
ALA B 866
GLY B 873
1.28A15.71
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.
5YKG_B_GBMB2001_1
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8 ISOFORM X2)		Glyburide5 / 11
ARG C  48
ILE C 272
LEU C  52
LEU C  54
THR C 215
1.71A21.97
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.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		Doxycycline5 / 12
ASN A 118
THR A 236
VAL A 140
GLN A 147
SER A 169
1.56A10.48
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.
3BC9_A_ACRA901_1
(ALPHA AMYLASE,
CATALYTIC REGION)		Acarbose4 / 7
ASP C 554
SER C 556
LYS A 818
ASP A 719
1.25A18.92
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.
4XI3_D_29SD601_1
(ESTROGEN RECEPTOR)		Bazedoxifene5 / 12
THR B 631
ALA B 654
LEU C 846
HIS B 641
PRO B 651
1.43A11.63
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.
5WZ1_B_SAMB601_0
(NS5
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
0.97A13.37
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.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		Acetic acid4 / 7
GLY C 862
GLY C 867
ALA C 875
ALA C 866
1.34A17.58
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.
3DMH_A_SAMA384_1
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
SER C1003
GLU A 762
ASP A 757
1.10A16.14
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.
5CDP_H_EVPH2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B)		Etoposide4 / 6
SER C1019
GLU C1013
GLY A 871
GLY A1017
1.12A17.00
10.15
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		Salmeterol3 / 3
ASP A 277
SER A  35
SER A  64
1.32A17.22
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.
2OXT_A_SAMA300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A1017
GLY A 867
GLY A 871
TRP A 868
ILE C 694
1.20A12.32
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.
1UPF_A_URFA999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		Fluorouracil4 / 5
ALA C 406
TYR C 410
ILE C 405
ASP C 385
1.51A11.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ECK_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Folic Acid5 / 12
VAL A 496
MET A 417
LEU A 412
VAL A 498
THR A 363
1.38A19.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CB4_A_BEZA501_0
(CANAVALIN)		Benzoic Acid4 / 8
LEU A 374
VAL A 382
LEU A 499
ILE A 345
1.03A16.64
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.
3S53_A_017A201_2
(PROTEASE)		Darunavir5 / 11
ALA A 633
ILE A 656
ILE A 637
ILE A 584
ILE A 652
1.20A6.18
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.
3TNE_B_RITB401_2
(SECRETED ASPARTIC
PROTEASE)		Ritonavir5 / 7
SER C 690
ILE C 694
THR A 865
THR A 863
TYR A 771
1.75A15.71
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.
3RI5_A_IVMA349_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 13
ILE C 652
PRO C 651
ILE C 674
MET C 679
THR C 678
1.63A14.94
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.
3EEY_B_SAMB300_0
(PUTATIVE RRNA
METHYLASE)		S-Adenosylmethionine5 / 12
ASN A 457
ILE B 226
GLN B 112
GLY B 104
ASN B 109
1.39A10.16
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.
2G78_A_REAA200_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		Tretinoin5 / 12
PHE C1044
ALA C1007
THR C 856
VAL C 763
VAL C1015
1.40A7.85
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.
2YGQ_A_PCFA1275_0
(WNT INHIBITORY
FACTOR 1)		Colfosceril palmitate5 / 12
ILE C 152
ILE C 117
PRO C  79
PHE C  22
VAL C 172
1.21A12.81
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.
2VAX_G_CSCG1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		Cephalosporin C5 / 12
LEU A 749
THR A 716
TYR A 989
ARG B 747
VAL A 945
1.57A18.07
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.
1SG9_A_SAMA301_0
(HEMK PROTEIN)		S-Adenosylmethionine5 / 12
PHE C 161
PRO C 223
ILE B 345
GLU B 341
ASN B 347
1.30A12.13
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.
5WHY_A_SAMA504_0
(RADICAL SAM DOMAIN
PROTEIN)		S-Adenosylmethionine5 / 11
PHE A1091
GLU A 900
THR A 894
SER C1105
VAL A1078
1.57A16.53
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.
4LTW_A_486A303_1
(ANCESTRAL STEROID
RECEPTOR 2)		Mifepristone5 / 9
LEU B 538
LEU B 532
GLN B 550
PHE B 529
LEU B 519
1.51A12.18
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.
5ZV2_A_LEVA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		Lenvatinib5 / 12
GLY C  68
ALA C 250
VAL C  97
ALA C  91
ALA C 233
0.89A12.25
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.
4W9N_C_CCSC1548_0
(ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE)		Carbocisteine3 / 3
ALA A1060
TRP A1084
VAL A1078
1.14A14.61
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.
5IGT_A_ERYA402_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		Erythromycin5 / 12
VAL B 763
ALA B1038
VAL B 711
LEU B 930
THR B 706
1.30A12.74
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.
1GTN_A_TRPA81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan4 / 7
GLY A1113
ALA B 881
ILE A1112
THR A1059
0.97A4.85
None
None
NAG  A1310 (-4.6A)
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.
4GKI_A_KANA301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP A  57
GLU C 502
ASP A  44
GLU A  45
1.58A12.18
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.
4QVP_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 12
GLN C 769
ALA C 872
GLY C 873
ALA C 875
THR C 869
1.51A11.05
10.78
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.
3A50_A_VD3A2001_1
(VITAMIN D
HYDROXYLASE)		Cholecalciferol5 / 12
THR B 302
ILE B 299
ALA B 633
THR B 631
LEU B 636
1.45A16.37
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.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 754
ASP A 757
LEU A 846
ILE C 584
LEU C 597
1.62A8.35
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_E_CVIE301_0
(REGULATORY PROTEIN
TETR)		Gentian Violet5 / 12
ALA A 633
LEU A 636
ILE A 637
VAL A 601
PHE A 305
1.61A8.53
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.
2VMY_A_FFOA505_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		Levoleucovorin4 / 6
TYR A 252
LYS A  84
PHE A 231
PRO A  82
1.40A16.18
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.
3JAF_A_IVMA503_0
(GLYCINE RECEPTOR
SUBUNIT ALPHAZ1)		Ivermectin6 / 12
VAL C 860
LEU C1045
ILE C 787
ILE C 800
LEU C 920
LEU C 803
1.65A14.30
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.
2DM6_A_IMNA1401_1
(NADP-DEPENDENT
LEUKOTRIENE B4
12-HYDROXYDEHYDROGEN
ASE)		Indomethacin5 / 10
TYR B1070
ILE B1097
TYR B1120
ILE B1114
ILE B1115
1.70A14.66
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.
3TEH_B_DAHB786_1
(PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN)		Levodopa4 / 7
GLY A1106
GLU B 900
ALA A1069
PHE A1071
1.42A21.05
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.
5ZCO_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.16A11.96
4.10
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.
4OAD_A_CLMA206_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		Chloramphenicol4 / 4
ALA B 853
ALA B 854
ALA B 857
ALA B 858
1.26A8.99
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.
1TD7_A_NFLA2001_1
(PHOSPHOLIPASE A2
ISOFORM 3)		Niflumic Acid5 / 9
LEU A 412
PHE A 416
GLY A 418
TYR A 410
PHE A 379
1.59A7.08
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.
1RS7_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
SER C 556
ASN A 838
PHE C 558
ASP C 560
1.31A15.87
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.
5PBE_A_TYLA2001_1
(BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2B)		Acetaminophen4 / 6
PRO B  79
VAL B  98
TYR B 252
ILE B  81
1.26A7.36
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.
3A8I_C_C2FC401_0
(AMINOMETHYLTRANSFERA
SE)		Levomefolic acid5 / 12
ILE C 345
TYR C 352
VAL C 510
PHE C 329
TYR C 383
1.58A15.45
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.
2VDY_A_HCYA1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		Hydrocortisone5 / 12
SER C 500
VAL C 498
ILE C 405
PHE C 387
TRP C 340
1.53A15.00
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.
3OPE_A_SAMA7_0
(PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		S-Adenosylmethionine5 / 12
ASP B 392
TYR B 491
TYR B 440
GLN B 396
ILE B 405
1.66A10.20
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.
3TJ7_A_ACTA604_0
(GBAA_1210 PROTEIN)		Acetic acid4 / 6
GLY B  68
VAL B  66
HIS B  33
THR B  67
1.56A10.72
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.
3HS6_B_EPAB1_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Icosapent4 / 7
VAL B 496
VAL B 498
LEU B 499
SER B 500
0.95A19.14
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.
3SPK_A_TPVA100_1
(HIV-1 PROTEASE)		Tipranavir5 / 11
ALA A 618
ASP A 613
ILE A 610
ILE A 621
PRO A 282
1.52A5.37
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.
1R55_A_097A518_1
(ADAM 33)		Marimastat5 / 10
ALA A1037
VAL A1043
THR A 706
HIS A1046
GLU A 707
1.10A9.48
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.
2W3M_B_FOLB1188_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE C  81
ALA C 233
LEU C 235
PHE C  69
ASN C  29
1.27A10.23
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.
209D_C_DVAC8_0
(N8-ACTINOMYCIN D)		L-Valine3 / 3
THR B1059
THR B 693
PRO C 879
1.28A0.95
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.
2EIM_W_CHDW1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LYS C 344
PHE C 329
LEU C 499
PHE C 501
1.06A11.96
4.10
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.
1ZZQ_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
SER C 556
ASN A 838
PHE C 558
ASP C 560
1.35A15.47
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.
3RHW_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
GLN A 895
THR C1102
GLY C1075
THR C1087
PHE C1085
1.39A14.94
None
None
None
None
NAG  C1321 (-3.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Prazosin5 / 11
VAL B 172
PHE B  76
GLY B 100
ASN B  78
ILE B 117
1.44A11.33
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.
4OLT_A_GCSA303_1
(CHITOSANASE)		Glucosamine4 / 6
ILE A  72
GLY A  77
VAL A  25
HIS A  74
1.51A12.38
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.
5NOO_D_D16D402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
ASP C  85
LEU C 257
GLY C  86
PHE C 187
1.15A
None
Potential target for repurposing, i.e. matched protein structure has less than 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_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Memantine5 / 9
ALA B 858
SER B 861
ALA B 854
ALA B 853
SER B 798
1.43A14.93
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.
5I1N_F_DVAF9_0
(D-VILLIN HEADPIECE
SUBDOMAIN
VILLIN-1)		L-Valine3 / 3
ALA B1002
ASN B1005
LEU B1006
0.35A2.55
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_E_PCFE202_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL
CYTOCHROME C OXIDASE
SUBUNIT 1)		Colfosceril palmitate4 / 8
ILE A 234
ALA A 139
VAL A 140
ASP A  23
1.08A19.11
7.65
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.
5XOO_A_ADNA506_1
(GLYCOSAMINOGLYCAN
XYLOSYLKINASE)		Adenosine4 / 6
TYR A 367
LEU A 499
LYS A 371
LEU A 355
1.75A15.09
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.
5O96_C_SAMC501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 7
GLY A 867
GLY A 862
SER A1012
THR A 869
ALA A 872
1.01A12.07
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.
1QFI_A_DVAA8_0
(ACTINOMYCIN X2)		L-Valine3 / 3
THR C 773
THR C 775
PRO C 774
1.35A0.95
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.
4Z53_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)		Trovafloxacin4 / 6
GLY A 579
ASP A 600
GLY B 839
SER A 574
1.41A19.98
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.
5BMV_C_VLBC507_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA-1B
CHAIN)		Vinblastine4 / 6
ASP A  85
TYR A  88
TYR A  41
LEU A 216
1.55A17.64
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.
3JB3_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine5 / 12
ASN A 896
SER C1105
ARG A1089
VAL A1076
ILE A1086
1.59A21.56
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.
3OLS_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU A 804
ALA A1038
LEU A 930
LEU A 927
ILE A 916
1.60A11.69
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.
3VAS_A_ADNA401_2
(PUTATIVE ADENOSINE
KINASE)		Adenosine4 / 4
LEU A 499
ALA A 350
PHE A 325
ASN A 381
1.67A16.07
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.
1YC5_A_NCAA2001_0
(NAD-DEPENDENT
DEACETYLASE)		Nicotinamide4 / 7
ALA C 714
SER C 712
ILE C1000
ILE C 752
1.15A11.47
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.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 11
PHE A  89
ASN A 230
ASP A  85
GLY A  86
PHE A 187
1.16A12.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X23_A_LSNA503_1
(CYTOCHROME P450 2C9)		Losartan4 / 5
GLY B 839
THR B 841
ASN B 838
LYS B 818
1.57A16.54
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.
4NDN_C_SAMC405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 7
PRO C 413
ASP C 415
SER A 956
ASP C 414
1.78A16.19
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		Lincomycin5 / 12
HIS C1030
PHE C1034
ILE C 704
ALA C 912
PHE C 909
1.73A8.80
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.
2AVO_B_MK1B902_1
(POL POLYPROTEIN)		Indinavir5 / 9
LEU C 831
ASP C 825
GLY B 655
ILE B 656
PRO C 844
1.56A6.27
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.
3AQI_A_CHDA3_0
(FERROCHELATASE)		Cholic Acid3 / 3
PRO B 540
LEU B 571
ARG B 315
1.16A13.87
None
None
NAG  B1305 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NB9_A_RBFA401_1
(HYPOTHETICAL PROTEIN
FLJ11149)		Riboflavin5 / 9
THR C 856
SER C 798
GLU C 801
LEU C1045
ILE C 787
1.58A8.06
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.
3QLG_B_1N1B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Dasatinib5 / 12
VAL C 510
ALA C 350
GLY C 418
LEU C 499
ALA C 384
1.14A11.53
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.
4YVX_B_GMRB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		Glimepiride5 / 12
TYR A 197
LEU A 216
TYR A  41
LEU A 182
PHE A 187
1.67A14.27
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.
4EM2_A_SALA502_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)		Salicylic acid4 / 8
THR B 302
TRP B 619
VAL B 596
VAL B 581
1.31A10.24
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.
4ODO_B_FK5B203_2
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		Tacrolimus3 / 3
ALA C 658
GLN C 599
GLY C 580
0.32A7.57
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.
3CYX_A_ROCA201_3
(HIV-1 PROTEASE)		Saquinavir6 / 12
GLY B 953
ASP B 976
ILE B 979
GLY B 981
VAL B 958
ILE B 962
1.71A5.57
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.
5A1R_A_STRA600_1
(CYTOCHROME P450 3A4)		Progesterone4 / 5
PHE A 501
ASP A 415
PHE A 379
VAL A 382
1.55A17.79
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.
5XV7_A_EMHA705_2
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		Alectinib4 / 4
VAL B 537
LEU B 538
LEU B 571
ASP B 564
1.45A14.92
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.
4IK7_A_IMNA201_1
(TRANSTHYRETIN)		Indomethacin4 / 7
LEU C 788
THR C 863
ALA C 864
THR C 865
1.35A7.73
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.
4KTT_A_SAMA405_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
ALA B1008
GLU B 762
ASP B 757
ILE B 852
1.13A15.96
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.
5LF3_K_BO2K305_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
ALA C 874
ALA C 872
GLY C 862
GLY C 867
ALA C 866
1.48A10.43
11.16
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.
6A4I_A_TRPA403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)		L-Tryptophan4 / 8
ARG C1073
THR C1102
PRO C1072
ILE C1097
1.17A15.44
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.
4ZZC_E_ACTE406_0
(PROTON-GATED ION
CHANNEL)		Acetic acid4 / 5
ILE C 995
ILE C 752
ARG C1001
GLU B 999
1.61A14.02
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.
5NWU_A_ACAA18_1
(WTFP-TAG,GP41)		Aminocaproic Acid5 / 12
GLY B 212
SER B 211
GLU B 184
LEU B 182
GLU B  93
1.31A3.42
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.
2DTT_E_H4BE1004_1
(HYPOTHETICAL PROTEIN
PH0634)		Sapropterin5 / 11
PHE A1034
LEU A1045
VAL A1015
HIS A1030
THR A 863
1.76A7.31
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.
3W9T_C_W9TC1005_1
(HEMOLYTIC LECTIN
CEL-III)		Lactulose3 / 3
ASP A 393
GLY A 403
TYR A 440
1.38A15.76
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.
4V04_B_0LIB1771_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib5 / 10
LEU B1031
VAL B1047
ILE B 905
TYR B1049
LEU B 898
1.59A13.03
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.
4FU9_A_ACTA311_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		Acetic acid3 / 3
GLN B 987
THR B 988
THR B 991
0.81A10.71
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.
5MWY_A_YNUA1101_1
(MINERALOCORTICOID
RECEPTOR)		Eplerenone4 / 6
GLN A 550
ARG A 563
PHE A 548
PHE B 193
1.56A12.21
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.
2QHF_A_ACTA509_0
(CHORISMATE SYNTHASE)		Acetic acid3 / 3
ARG A 563
GLN A 546
PRO A 547
1.68A15.81
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.
3W9T_F_W9TF512_1
(HEMOLYTIC LECTIN
CEL-III)		Lactulose4 / 6
THR C 229
ASN C 189
GLY C  86
ASP C  85
1.45A15.76
NAG  C1304 ( 4.6A)
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.
5YF0_A_SAMA505_1
(CARNOSINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
GLN A1088
ARG A1089
TYR B 886
ASP C1100
1.76A14.98
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.
3VYW_A_SAMA501_0
(MNMC2)		S-Adenosylmethionine5 / 12
TYR C 383
GLY A 225
GLY A 192
ALA A 127
PHE C 451
1.19A13.21
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.
1EKJ_F_ACTF3008_0
(BETA-CARBONIC
ANHYDRASE)		Acetic acid4 / 8
TYR A 494
VAL A 394
GLY A 490
GLY A 391
1.30A11.61
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.
2EIL_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
LYS C 344
PHE C 329
LEU C 499
PHE C 501
1.09A11.96
4.10
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.
3NHX_A_ASDA126_1
(STEROID
DELTA-ISOMERASE)		4-Androstenedione5 / 12
ASP C 274
PHE C 293
PHE C  62
VAL C  40
PHE C 213
1.26A8.24
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.
3BJW_G_SVRG506_3
(PHOSPHOLIPASE A2)		Suramin3 / 3
PRO C 136
PHE C 153
LYS C  18
1.80A7.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXW_D_017D200_2
(HIV-1 PROTEASE)		Darunavir5 / 10
ALA B 406
ASP B 407
VAL B 404
VAL B 389
ILE B 405
1.38A6.26
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.
5D0X_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2)		Bortezomib5 / 11
GLN C 769
ALA C 872
GLY C 873
ALA C 875
THR C 869
1.52A11.05
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.
3ZOA_A_ACRA1587_2
(TREHALOSE
SYNTHASE/AMYLASE
TRES)		Acarbose3 / 3
ARG B 449
PHE B 451
PRO B 413
1.12A19.17
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.
3N58_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
THR A 236
GLU A  93
THR A  92
HIS A  70
1.77A17.93
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.
1WG8_A_SAMA3142_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 536
GLY A 534
GLN B 835
PHE A 578
SER A 574
1.45A12.18
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.
2YQZ_A_SAMA301_0
(HYPOTHETICAL PROTEIN
TTHA0223)		S-Adenosylmethionine5 / 12
ILE C 826
ALA B 658
ALA B 639
LEU B 636
LEU B 597
1.13A12.36
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.
4A97_A_ZPCA1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Eszopiclone4 / 7
ILE C  81
PHE C  89
HIS C  70
VAL C 205
1.39A12.84
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.
2WEY_B_EV1B1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)		Papaverine4 / 8
LEU B 898
VAL B1047
ILE B 891
GLN B1018
1.10A14.52
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.
2O4L_A_TPVA403_2
(PROTEASE)		Tipranavir6 / 12
ARG C 395
GLY C 400
VAL C 498
VAL C 404
VAL C 394
ILE C 397
1.69A5.74
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.
4N09_A_ADNA401_2
(ADENOSINE KINASE)		Adenosine4 / 4
LEU A 538
SER A 561
LEU A 532
LEU A 519
1.17A15.86
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.
5VEU_H_RITH602_2
(CYTOCHROME P450 3A5)		Ritonavir4 / 5
ARG A 183
PHE A  69
PHE A  89
LEU A 235
1.69A17.38
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.
4KAN_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ASN B 951
ASP C 976
GLY B 953
ILE C 979
THR C 980
1.16A13.89
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.
4E0F_A_RBFA301_1
(RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA)		Riboflavin5 / 11
SER C 924
VAL C 808
LEU C 927
GLU C 801
ALA C1038
1.69A10.57
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.
4P6V_E_RBFE201_1
(NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B
NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT E)		Riboflavin4 / 5
VAL C1119
GLU C1066
VAL C1104
LYS C1068
1.71A16.04
11.77
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.
1TW4_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN)		Cholic Acid5 / 11
LEU A 257
ILE A 228
LEU A 194
VAL A 102
PHE A 187
1.63A8.31
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.
6H7L_A_Y00A406_1
(BETA-1 ADRENERGIC
RECEPTOR)		Dobutamine4 / 6
GLY C1026
PHE C1034
PHE C 909
PHE C 782
1.10A12.52
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.
2EIK_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.24A11.96
4.10
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.
4QTU_B_SAMB301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)		S-Adenosylmethionine4 / 5
GLN B 835
SER A 574
ASP A 554
ASP B  50
1.27A10.47
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.
2PGR_A_DCFA501_2
(ADENOSINE DEAMINASE)		Pentostatin3 / 3
LEU C 499
LEU C 374
PHE C 329
0.59A14.33
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.
2AYL_B_FLPB2701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen5 / 12
TYR C 410
TRP C 340
ALA C 384
SER C 500
LEU C 499
1.45A18.25
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.
1GTN_B_TRPB81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan4 / 8
THR A1059
GLY A1113
ALA B 881
ILE A1112
0.99A4.85
None
None
None
NAG  A1310 (-4.6A)
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		Sitagliptin3 / 3
ARG A 495
SER A 353
TYR A 352
1.07A21.18
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.
3AI9_X_SAMX501_0
(UPF0217 PROTEIN
MJ1640)		S-Adenosylmethionine5 / 9
LEU A 978
LEU A 959
SER A 728
GLU A 972
LEU A 963
1.52A10.41
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.
3S45_B_478B201_1
(PROTEASE)		Amprenavir5 / 9
ALA A 633
ILE A 656
ILE A 637
ILE A 584
ILE A 652
1.03A6.34
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.
3MS9_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
VAL C 510
ALA C 350
GLY C 418
LEU C 499
ALA C 384
1.17A13.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN1_A_LLLA302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		GENTAMICIN C1A5 / 10
ASP A 719
GLY A 820
ASP A 757
THR A 716
SER A 717
1.56A13.50
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.
3VT3_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		Calcitriol3 / 3
LEU B 257
ILE B 272
TYR B 197
0.58A11.99
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.
3Q87_B_SAMB300_0
(N6 ADENINE SPECIFIC
DNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY B 726
SER B 728
LEU B 978
LEU B 948
ASN B 721
1.49A8.72
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.
4HIV_D_DVAD2_0
(ACTINOMYCIN D)		L-Valine3 / 3
THR B 693
PRO C 879
THR B1059
1.29A0.95
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.
4K7G_B_ACTB902_0
(3-HYDROXYPROLINE
DEHYDRATSE)		Acetic acid4 / 7
ASP A 560
ASP A 572
SER A 541
SER A 561
1.34A17.55
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.
1E06_A_IPBA600_0
(ODORANT-BINDING
PROTEIN)		Thymol4 / 6
VAL C1047
MET C1032
ASN C 910
ILE C 787
1.17A9.16
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.
4OBW_D_SAMD601_1
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		S-Adenosylmethionine3 / 3
ASN A 746
ASP A 719
ASP C 600
0.89A12.33
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.
3N9J_B_EAAB214_1
(GLUTATHIONE
S-TRANSFERASE P)		Etacrynic acid4 / 8
GLY C 488
ARG C 426
TYR C 494
GLY C 391
1.09A9.71
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.
3DCM_X_SAMX5452_0
(UNCHARACTERIZED
PROTEIN TM_1570)		S-Adenosylmethionine5 / 11
GLY B 890
GLY B 892
ILE B 905
ASN B 901
LEU B 898
1.32A10.77
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.
2VUF_B_FUAB2002_1
(SERUM ALBUMIN)		Fusidic Acid4 / 9
ILE C 152
ARG C 232
ALA C 233
VAL C 102
1.58A17.51
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.
2DYR_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 6
LEU B  60
ARG B 183
THR B  92
LEU B 209
1.53A17.65
4.10
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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		Ticagrelor4 / 8
GLY B 192
SER B 113
GLY B 225
PHE A 451
1.11A13.15
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		Boceprevir5 / 12
GLN B 632
LEU B 636
GLY B 634
ALA B 676
VAL B 675
1.26A9.79
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.
1A4G_A_ZMRA466_1
(NEURAMINIDASE)		Zanamivir5 / 12
ARG C1001
GLU B 999
ARG B1001
ALA A1002
GLU A 999
1.72A15.46
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.
2ZUL_A_SAMA376_1
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
SER C1003
GLU A 762
ASP A 757
1.12A16.23
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.
5OY0_B_PQNB841_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		Phylloquinone5 / 11
PHE A 361
SER A 362
TRP A 423
ILE A 428
ALA A 422
1.46A20.16
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.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		Cephalosporin C5 / 11
GLY A 326
ASN A 330
ILE A 345
TYR A 352
LEU A 322
1.80A8.99
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.
2Z0Y_A_SAMA300_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0657)		S-Adenosylmethionine5 / 9
ALA C 639
VAL C 628
GLY C 625
LEU C 636
ALA C 595
1.23A10.71
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		Hyoscyamine4 / 7
GLY C 446
HIS C 445
ASP C 454
PRO C 477
1.78A7.00
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.
2QEI_A_CXXA802_1
(TRANSPORTER)		Clomipramine4 / 6
ARG B 887
PHE B 888
ILE B 891
PHE B 700
1.58A17.38
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.
1UNM_E_DVAE8_0
(7-AMINOACTINOMYCIN D)		L-Valine3 / 3
THR C 773
THR C 775
PRO C 774
1.33A0.95
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.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		Benzylpenicillin5 / 12
ASN A 230
GLY C 446
GLY C 464
ASP C 463
ARG C 441
1.30A11.69
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.
5V0V_A_8QSA614_1
(SERUM ALBUMIN)		Etodolac5 / 8
ARG C 996
ALA C 997
ALA A 998
SER C1003
ALA C1002
1.29A19.38
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Chloroquine4 / 6
GLY B 780
GLY B 781
ASN B 910
ILE A1112
1.15A11.19
None
None
None
NAG  A1310 (-4.6A)
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		Diclofenamide5 / 12
ASN B 304
GLN B 301
LEU C 843
THR C 716
THR C 841
1.51A12.16
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.
1MEH_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		Mycophenolic acid5 / 10
ASP B 649
SER B 659
ILE B 656
GLY B 653
GLY B 298
1.51A18.30
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.
5B1B_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.33A11.96
4.10
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.
4W5Q_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
ARG C1089
ILE C1086
GLN C1088
ILE C 696
1.55A21.08
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.
1FM6_D_BRLD503_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone4 / 4
ILE A 117
LEU A 132
VAL A 102
ILE A 234
1.25A12.55
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.
1SN0_C_T44C601_1
(TRANSTHYRETIN)		Levothyroxine5 / 9
LEU C 421
LEU C 355
LYS C 343
GLU C 341
ALA C 384
1.37A8.69
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.
3JAF_A_IVMA503_0
(GLYCINE RECEPTOR
SUBUNIT ALPHAZ1)		Ivermectin6 / 12
VAL A 860
LEU A1045
ILE A 787
ILE A 800
LEU A 920
LEU A 803
1.69A14.30
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.
4F4D_A_CHDA506_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 4
PRO C 540
LEU C 571
ILE C 570
ARG C 563
1.47A14.03
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.
5M5K_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 4
GLN C 301
THR C 302
LEU C 636
LEU C 597
1.29A17.51
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.
3FSU_E_C2FE995_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		Levomefolic acid5 / 11
SER A 798
GLN A 917
LEU A 920
THR A 923
LEU A1045
1.50A13.74
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.
4A97_B_ZPCB1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Eszopiclone5 / 12
ASN A 889
GLU A1074
GLU C1074
VAL A 897
PHE C1103
1.46A12.84
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.
4PFJ_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 7
THR B 856
THR B 706
LEU B 930
SER B1033
1.12A17.60
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.
5QGK_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL B 601
TYR B 598
GLN B 599
0.85A9.70
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.
3SP9_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		Iloprost5 / 12
THR A 923
THR A 922
LEU A 804
VAL A1043
ILE A 916
1.29A12.52
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.
5MLM_A_STRA401_1
(-)		Progesterone5 / 12
PHE B 784
ILE B 913
SER B 701
VAL B1047
ILE B 704
1.34A16.45
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.
2OXT_C_SAMC300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B 298
GLY B 587
THR B 585
LEU B 286
ILE B 299
1.33A12.32
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.
1IKE_A_HSMA190_1
(NITROPHORIN 4)		Histamine3 / 3
ASP C 976
LEU C 735
LEU C 734
1.20A9.88
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.
2OKC_B_SAMB500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		S-Adenosylmethionine4 / 6
THR C 215
THR C 271
THR C  51
ASP B 557
1.62A16.56
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Pyrimethamine5 / 10
ILE A 152
SER A 165
ILE A 164
ILE A 117
THR A 236
1.49A11.61
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.
5ZV2_A_LEVA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		Lenvatinib3 / 3
LYS B 190
LEU B 257
ASP B  57
1.44A12.25
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.
4XUM_B_IMNB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin5 / 11
SER A 113
ILE A 226
LEU A 224
LEU A 194
ILE A 116
1.40A13.32
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.
2R5P_B_MK1B902_1
(PROTEASE)		Indinavir6 / 12
LEU C 257
VAL C 254
ILE C  81
ILE C 228
VAL C 186
ILE C  87
1.51A6.44
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.
2ZW9_B_SAMB801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		S-Adenosylmethionine5 / 12
THR A 320
GLY A 512
ASP A 351
LEU A 515
ASN A 530
1.42A20.89
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.
2Q58_B_ZOLB2_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		Zoledronic acid5 / 9
ASP A 171
ARG A 183
THR A 236
GLN A 147
ASN A 118
1.51A15.73
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.
3QJ7_A_SPMA264_1
(THYMIDYLATE SYNTHASE)		Spermine4 / 8
ARG C 797
LEU C 823
ASP C 825
ASP C 850
1.39A12.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RGC_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 754
ASP A 757
LEU A 846
ILE C 584
LEU C 597
1.64A9.42
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.
2AOJ_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine5 / 7
LEU C 831
ASP C 825
GLY B 655
ILE B 656
PRO C 844
1.47A6.18
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.
2HRC_A_CHDA703_0
(FERROCHELATASE)		Cholic Acid4 / 4
LEU B 222
PRO B 223
LEU B 224
ARG B 126
1.46A13.87
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.
3OXX_C_DR7C100_1
(HIV-1 PROTEASE)		Atazanavir5 / 12
LEU C 636
ALA C 658
ASP C 649
GLY C 298
ILE C 652
1.32A6.26
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.
2P16_A_GG2A298_1
(COAGULATION FACTOR X
(EC 3.4.21.6)
(STUART FACTOR)
(STUART-PROWER
FACTOR))		Apixaban5 / 12
ASP B1023
SER B1019
GLY B1026
GLY B1028
TYR B1029
1.34A11.26
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.
6HU9_I_PCFI101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		Colfosceril palmitate5 / 11
ASP C 727
VAL C 718
SER C 750
ALA C 754
ASN B 304
1.67A16.85
9.40
4.51
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		Hyoscyamine4 / 7
GLY C 446
HIS C 445
ASP C 454
PRO C 477
1.78A7.00
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.
2P4N_B_TA1B601_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
LEU C 224
PHE C 187
LEU C 194
ARG C 126
GLY C 100
1.24A17.64
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.
5M50_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL B 958
ASP B 961
ARG A 553
GLY A 531
LEU A 532
1.48A17.15
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		Desipramine4 / 7
ILE C 955
SER C 956
ARG C 982
ILE C 979
1.26A17.38
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.
316D_C_DVAC2_0
(8-FLUORO-ACTINOMYCIN
D)		L-Valine3 / 3
THR B 693
PRO C 879
THR B1059
1.18A0.95
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.
5M0O_A_EPAA502_1
(TERMINAL
OLEFIN-FORMING FATTY
ACID DECARBOXYLASE)		Icosapent5 / 10
LEU B 235
PRO B 136
PHE B  22
VAL B  25
PRO B  28
1.45A15.87
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.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 9
PHE A  89
ASP A  85
LEU A 257
GLY A  86
PHE A 187
1.79A12.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I6V_C_RFPC1640_1
(DNA-DIRECTED RNA
POLYMERASE)		Rifampicin5 / 12
ASP B 932
ARG B 996
SER B 712
GLU B 999
ILE B1000
1.72A22.30
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.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		Vorinostat5 / 11
LEU B1006
HIS B1030
PHE B1024
HIS B1046
PHE B1044
1.74A14.03
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.
4DV1_A_SRYA1601_1
(16S RRNA
RIBOSOMAL PROTEIN
S12)		Streptomycin3 / 3
LYS C 198
LYS C 217
PRO C 218
1.36A7.78
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.
1KIA_C_SAMC2293_1
(GLYCINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 6
ASP A 564
SER A 568
ASN A 530
SER A 516
1.59A12.51
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.
1CMC_A_SAMA105_0
(MET REPRESSOR)		S-Adenosylmethionine5 / 10
ALA A 875
GLY A 862
GLU C1054
LEU A 876
PRO C 697
1.75A6.92
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.
2Y6R_A_CTCA1385_0
(TETX2 PROTEIN)		Chlortetracycline5 / 10
ASP A 727
ARG C 306
PHE C 305
ASN A 721
GLY C 580
1.42A16.25
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.
5NZY_A_CE3A1103_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		Cefotaxime5 / 8
THR A 856
PRO A1035
GLN A 766
ASP C1023
GLY A 867
1.62A15.03
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Ruxolitinib5 / 11
VAL C 510
ALA C 350
GLY C 418
LEU C 499
ALA C 384
1.12A11.53
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.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		Vorinostat5 / 12
ASP A 719
GLY A 839
PHE C 578
ASP A 727
GLY A 726
1.42A14.97
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.
2HJH_A_NCAA900_0
(NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2)		Nicotinamide4 / 5
ILE A 696
PRO A 697
PHE A1091
ILE A1086
1.52A14.51
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.
3QL6_A_NIMA614_1
(LACTOPEROXIDASE)		Nimesulide4 / 7
GLN B 147
GLU B  93
ARG B  99
PHE B 238
1.66A18.70
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.
3A51_E_VDYE6178_1
(VITAMIN D
HYDROXYLASE)		Calcidiol5 / 12
THR B 302
ILE B 299
ALA B 633
THR B 631
LEU B 636
1.43A16.37
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.
1L5K_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY A  39
GLY A 255
LEU A 257
SER A  35
ARG A  38
1.56A14.81
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.
4UCK_A_SAMA2409_1
(RNA-DIRECTED RNA
POLYMERASE L)		S-Adenosylmethionine3 / 3
SER B 712
ASP A 932
ASP B 757
1.18A15.94
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.
4Q5M_A_ROCA1101_2
(PROTEASE)		Saquinavir5 / 12
ALA B1060
ILE B1115
GLY B1113
ASP B1109
ILE B1063
1.17A9.83
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.
1A7Y_B_DVAB2_0
(ACTINOMYCIN D)		L-Valine3 / 3
THR B 693
PRO C 879
THR B1059
1.31A0.95
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.
1JHA_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 8
THR B 841
GLY A 579
LEU B 843
SER A 582
GLY A 634
1.57A14.81
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.
3JAY_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine5 / 12
ILE C 787
ALA C1037
ALA C 858
PHE C 784
PRO C 774
1.33A21.56
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.
3AY0_A_ADNA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		Adenosine5 / 10
TYR B 197
ILE B 116
VAL B 114
LEU B 222
PHE B 161
1.56A13.45
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.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 926
LEU A 804
ALA A1038
ILE A 916
LEU A1045
1.58A9.42
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.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		Adenosine5 / 12
THR C 869
GLY B1028
VAL B1050
GLU B1054
ARG B1089
1.73A12.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YNP_B_SAMB2304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		S-Adenosylmethionine5 / 10
ASP B 392
TYR B 491
TYR B 440
GLN B 396
ILE B 405
1.74A9.72
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.
1DRE_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 754
ASP A 757
LEU A 846
ILE C 584
LEU C 597
1.67A9.51
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.
5AOX_C_ACTC1001_0
(ALU JO CONSENSUS RNA
SIGNAL RECOGNITION
PARTICLE 14 KDA
PROTEIN)		Acetic acid3 / 3
TYR A 484
THR A 431
THR A 486
0.65A9.10
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.
5KPC_A_SAMA401_0
(PAVINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 298
GLY A 587
LEU A 286
VAL A 583
ALA A 658
1.20A14.87
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.
2IDK_A_C2FA1410_0
(GLYCINE
N-METHYLTRANSFERASE)		Levomefolic acid5 / 11
TYR B 723
THR B 943
LEU B 941
TYR B 989
LEU B 840
1.73A12.51
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.
3HJO_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE P)		Etacrynic acid4 / 8
PHE A 952
GLN A 984
ILE A 962
GLY A 953
1.20A9.91
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.
3EDL_B_TA1B601_1
(BETA TUBULIN)		Paclitaxel5 / 12
LEU C 224
PHE C 187
LEU C 194
ARG C 126
GLY C 100
1.25A17.64
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.
2C12_F_SPMF1433_1
(NITROALKANE OXIDASE)		Spermine5 / 11
GLU B 730
ALA B 971
LEU B 966
LEU B 963
ASP B 961
1.50A16.05
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.
6GNF_C_QPSC602_2
(-)		Acarbose5 / 12
HIS B 149
ASN B 155
ASN B 109
ARG B 126
GLU B 162
1.37A19.72
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.
6BEE_B_RXMB601_0
(SCAFFOLD PROTEIN D13)		Rifaximin5 / 9
PHE B 909
PHE B1034
VAL B 767
PHE B 779
VAL B1047
1.33A19.90
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.
1NSI_A_H4BA600_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		Sapropterin4 / 6
ARG A 183
ILE A 116
TRP A 101
PHE A 185
1.72A15.06
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.
3TIC_A_ZMRA1002_2
(NEURAMINIDASE)		Zanamivir4 / 5
LEU C 448
ARG C 453
ARG C 444
ARG C 342
1.75A16.89
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.
2W98_A_P1ZA1353_1
(PROSTAGLANDIN
REDUCTASE 2)		Phenylbutazone5 / 9
GLU A 184
VAL A 186
GLY A 255
PHE A 253
ILE A  87
1.80A13.83
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.
3KO0_F_TFPF201_1
(PROTEIN S100-A4)		Trifluoperazine4 / 5
MET C 884
PHE C 779
PHE C1034
PHE C 909
1.68A6.31
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.
2P2F_B_ACTB653_0
(ACETYL-COENZYME A
SYNTHETASE)		Acetic acid4 / 4
VAL B  97
THR B 236
VAL B 140
GLY B 145
1.72A19.54
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.
2Z71_A_PNVA903_1
(PENICILLIN ACYLASE)		Phenoxymethylpenicillin5 / 10
ARG B 395
ASN B 409
ASP B 392
GLY B 403
GLN B 396
1.71A14.83
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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		Parecoxib3 / 3
PRO B1061
GLU C 900
TYR C 899
1.41A14.55
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.
1M4I_A_KANA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		Kanamycin4 / 8
GLY A 751
SER A 717
ASP A 719
THR A 841
1.06A9.50
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.
5GWK_F_EVPF102_1
(DNA TOPOISOMERASE
2-ALPHA)		Etoposide4 / 5
GLY B  86
ASP B  85
ARG A 449
MET B 107
1.75A20.58
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.
2PLW_A_SAMA203_0
(RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
ALA A 654
GLY A 634
GLU A 640
ILE A 674
ALA A 676
1.19A10.03
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.
5M66_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU C 377
ASP C 376
ASP A 961
GLY C 531
PHE C 416
1.59A17.51
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.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
ASN B 189
ARG A 342
GLY B 225
GLY B 192
ASP B 191
1.62A12.77
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.
3ELZ_A_CHDA153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid4 / 4
ILE A 489
THR A 363
LYS A 365
TYR A 494
1.79A8.25
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.
4ZJQ_D_ERYD1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		Erythromycin5 / 12
SER C1019
SER A1012
MET A 709
ARG B1021
GLU C1013
1.70A22.65
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.
3NNE_G_ACTG601_0
(CHOLINE OXIDASE)		Acetic acid4 / 6
ALA B1062
ILE B1115
VAL B1119
ASN B1117
1.52A19.21
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.
1P6K_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
SER C 556
ASN A 838
PHE C 558
ASP C 560
1.34A15.88
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.
2O1O_A_RISA400_1
(PUTATIVE FARNESYL
PYROPHOSPHATE
SYNTHASE)		Risedronate5 / 9
ASP A 171
ARG A 183
THR A 236
GLN A 147
ASN A 118
1.54A15.73
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.
3FZG_A_SAMA300_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
THR A 865
GLY A 871
GLY A 867
VAL A 767
GLN A 766
1.49A10.55
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.
5W5V_A_ANWA701_0
(SERINE/THREONINE-PRO
TEIN KINASE TBK1)		Amlexanox5 / 9
LEU A 876
VAL C1076
MET A 882
THR C 698
THR C1059
1.52A20.72
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.
5X80_A_SALA201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		Salicylic acid4 / 5
VAL B 496
PRO B 493
GLY B 391
TYR B 494
1.58A9.63
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.
6DH3_A_017A101_0
(PROTEASE)		Darunavir5 / 12
GLY A 867
ALA A 866
GLY A 873
PRO C 697
ILE C 696
0.94A5.96
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.
5IGY_A_ERYA403_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		Erythromycin5 / 12
ILE A 125
PHE A 153
ALA A 156
ILE A 228
PHE A 187
1.24A12.51
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.
3I5U_A_SAMA401_0
(O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
PHE C 880
MET C 884
LEU C 898
GLY C 781
GLY C 780
1.38A13.64
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.
5NUN_A_Z80A201_1
(BETA-LACTOGLOBULIN)		Chlorpromazine5 / 9
VAL A1047
ILE A 913
ILE A 916
ILE A 800
PHE A1034
1.17A8.98
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.
2WQ5_A_MIYA1120_1
(PHOSPHOLIPASE A2,
ACIDIC)		Minocycline4 / 7
LEU B 499
ALA B 350
GLY B 512
PHE B 501
1.18A6.50
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.
1G50_C_ESTC2600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
GLU C 184
LEU C 182
LEU C 209
ARG C  38
HIS C  70
1.66A11.94
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.
1MX1_C_THAC3_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 12
LEU A1045
VAL A 808
LEU A 930
LEU A 920
LEU A 927
1.17A19.00
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.
2NSI_A_H4BA600_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		Sapropterin4 / 7
ARG A 183
ILE A 116
TRP A 101
PHE A 185
1.72A15.06
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		Nintedanib5 / 12
GLY C 892
VAL C 893
GLU C 900
GLY C1075
GLU C1074
1.41A14.34
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.
5V9J_A_SAMA1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		S-Adenosylmethionine5 / 12
SER B 336
TYR B 338
ASN B 479
TYR B 440
PHE B 483
1.78A12.92
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.
4NJU_A_TPVA500_1
(PROTEASE)		Tipranavir5 / 12
LEU C 831
ASP C 825
GLY B 655
ILE B 656
PRO C 844
1.44A5.75
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.
1PCG_A_ESTA1_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU B 235
ALA B 250
GLU B  93
ARG B 183
ILE B  81
1.77A11.80
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.
2Q6U_A_BEZA501_0
(NIKD PROTEIN)		Benzoic Acid4 / 7
ARG B 183
GLU B  93
PHE B  89
TYR B 252
1.19A15.96
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.
2DG9_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		Sirolimus5 / 11
PHE A 130
GLU A 162
VAL A 124
ILE A 116
ILE A 228
1.66A6.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WGQ_B_ESTB601_1
(ESTROGEN RECEPTOR)		Estradiol6 / 10
ALA C  91
GLU C 184
LEU C 182
LEU C 209
ARG C  38
HIS C  70
1.80A12.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WMZ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Fluconazole5 / 9
PHE C 784
PHE C 880
GLY C 780
LEU C 898
MET C 884
1.62A18.03
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.
4N09_C_ADNC401_2
(ADENOSINE KINASE)		Adenosine4 / 5
ASN C 838
LEU C 948
LEU C 959
ASN C 960
1.60A15.86
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.
2QL8_A_BEZA143_0
(PUTATIVE REDOX
PROTEIN)		Benzoic Acid4 / 7
ALA C 251
THR C  92
ALA C  90
ARG C  38
1.14A8.28
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.
3ADX_A_IMNA2_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin4 / 7
ILE B 652
LEU B 636
PHE B 629
LEU C 831
1.09A13.58
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.
1FKB_A_RAPA108_1
(FK506 BINDING
PROTEIN)		Sirolimus5 / 12
ASP B 719
PHE A 305
GLN A 630
VAL A 601
PHE A 578
1.42A6.28
None
None
NAG  A1306 (-3.7A)
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.
1LXF_C_BEPC92_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Bepridil5 / 12
PHE C 187
ILE C  87
LEU C 194
ILE C  81
VAL C 254
1.67A5.11
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.
3TPX_E_ACTE204_0
(E3 UBIQUITIN-PROTEIN
LIGASE MDM2)		Acetic acid3 / 3
LYS B 258
PRO B  61
LEU B  60
1.66A5.42
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.
3LXN_A_MI1A1_1
(NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2)		Tofacitinib5 / 12
LEU B 681
GLY B 682
ALA C 854
ILE C 852
LEU C 847
1.40A13.46
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.
1GMK_B_DVAB6_0
(GRAMICIDIN A)		L-Valine4 / 4
VAL B 388
TRP B 340
ALA B 339
VAL B 337
1.48A1.33
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.
2XRH_A_NIOA200_1
(PROTEIN HP0721)		Niacin4 / 7
GLY A1075
ILE A 694
THR A1059
ARG A1089
1.18A6.27
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.
2AOU_A_CQAA403_0
(HISTAMINE
N-METHYLTRANSFERASE)		Amodiaquine4 / 8
ASP C 727
GLY B 536
PHE B 527
ASP B 312
1.04A13.42
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.
1G50_A_ESTA600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A 235
ALA A 250
GLU A  93
ARG A 183
ILE A  81
1.70A11.94
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.
1ZQ9_A_SAMA4000_1
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		S-Adenosylmethionine3 / 3
GLY A 820
GLU A 821
ASN A 838
1.04A13.56
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.
4ZJO_D_ERYD1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		Erythromycin5 / 11
SER B 303
THR B 302
ALA C 748
ASP C 719
GLY B 579
1.54A22.56
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.
3AG2_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 7
ILE C 203
LEU C 182
ARG C 207
THR C  31
1.48A17.65
4.10
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.
4PTH_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA C 237
ILE C 152
ARG C 232
ILE C 234
THR C 247
1.47A9.42
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.
3I5U_B_SAMB401_0
(O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
MET C 884
LEU C 898
GLY C 781
GLY C 780
SER C 785
1.38A13.64
None
None
None
None
NAG  C1317 (-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.
1ZP4_B_C2FB996_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		Levomefolic acid5 / 10
GLN C 818
GLN C 936
THR C 809
TYR C 819
LEU C 941
1.75A13.74
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.
3TJ7_A_ACTA609_0
(GBAA_1210 PROTEIN)		Acetic acid3 / 3
LYS B 672
VAL B 675
HIS B 661
1.64A10.72
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.
1MX1_E_THAE5_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 12
LEU C 959
GLY C 726
VAL C 718
LEU C 948
LEU C 986
1.32A19.00
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.
6EMU_A_SAMA501_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		S-Adenosylmethionine5 / 12
PRO C 651
ILE C 656
GLY C 655
ILE C 584
ILE C 652
1.20A9.96
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.
6C06_D_FI8D1404_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		Fidaxomicin4 / 8
ILE A1086
THR A1087
GLN A1088
SER C1105
0.98A22.81
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.
1DF7_A_MTXA501_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
TRP A 423
ARG A 395
THR A 363
1.51A8.77
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.
5TZO_B_7V7B201_1
(ENDO-1,4-BETA-XYLANA
SE A)		Fentanyl5 / 12
LEU B 412
VAL B 498
TRP B 423
ALA B 422
TRP B 340
1.47A9.92
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.
4JKU_A_ADNA500_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ASN B 951
ASP C 976
GLY B 953
ILE C 979
THR C 980
1.16A13.89
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.
2XZ5_E_ACHE1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Acetylcholine4 / 7
GLN B 301
ILE B 652
SER C 750
TYR B 300
1.60A11.06
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.
4XI3_C_29SC601_2
(ESTROGEN RECEPTOR)		Bazedoxifene4 / 6
LEU C 920
ASP C 802
ILE C 704
PRO C 789
1.07A11.63
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.
3F78_A_ICFA1_1
(INTEGRIN ALPHA-L)		Isoflurane5 / 9
ILE B 584
ILE B 299
LEU B 597
LEU B 636
TYR B 622
1.56A10.17
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.
4MK4_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
SER A 353
VAL A 354
VAL A 349
GLY A 512
1.42A14.13
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.
6G9B_B_IXXB705_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN
ENVELOPE
GLYCOPROTEIN)		Imipramine4 / 5
ARG A 761
ALA A 765
TYR A 855
ILE A 852
1.41A14.06
11.35
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.
4BWL_C_MN9C1297_0
(N-ACETYLNEURAMINATE
LYASE)		N-Acetyl-D-glucosamine5 / 10
ILE C 272
LEU C 264
THR C 215
GLY C 212
PHE C  62
1.44A13.51
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.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
LEU B 681
GLY B 682
ALA C 854
LEU C 859
LEU C 847
1.20A14.42
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.
2EJG_A_ADNA1501_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		Adenosine4 / 7
ARG C 761
GLU C 755
ASN C1005
ALA C1004
1.35A12.02
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.
5P9I_A_1E8A701_2
(TYROSINE-PROTEIN
KINASE BTK)		Ibrutinib4 / 5
LEU A 840
TYR A 723
MET A 722
ASP C 600
1.75A11.29
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.
3SFU_B_RBVB601_1
(RNA POLYMERASE)		Ribavirin5 / 9
ASP C 727
TYR C 723
GLY C 839
ASP C 719
LEU C 986
1.59A17.20
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.
4XUD_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY C1041
ILE C1000
SER C 712
GLN C 756
HIS C1040
1.40A10.88
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.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		Galantamine5 / 12
GLY A 780
GLY A 781
TYR A 778
PHE A 784
TYR C 689
1.55A18.02
None
None
NAG  A1314 (-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.
5UHC_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin3 / 3
PHE C 558
ASP C 554
LEU A  54
0.89A22.79
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.
5NJV_A_SAMA301_0
(NS5)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
0.99A13.32
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.
2J2P_B_SC2B1294_1
(FICOLIN-2)		Acetylcysteine5 / 9
GLY C 552
SER C 561
LEU C 571
ASP C 572
ASP C 560
1.71A11.33
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.
1G50_B_ESTB1600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 12
GLU C 184
LEU C 182
LEU C 209
ARG C  38
HIS C  70
1.66A11.94
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.
3NVK_I_SAMI228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		S-Adenosylmethionine5 / 12
GLY A 246
ALA A 237
ILE A 244
ASP A  24
GLU A  93
1.59A11.02
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.
2RLC_A_GLYA333_0
(CHOLOYLGLYCINE
HYDROLASE)		Glycine3 / 3
ASN A 129
ASN A 158
ARG C 453
1.40A14.31
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.
1RS6_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
SER C 556
ASN A 838
PHE C 558
ASP C 560
1.35A15.87
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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		Dalfopristin5 / 11
ILE A 652
PRO B 844
ASN B 746
VAL B 718
ASP B 719
1.80A10.70
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.
1E7C_A_HLTA4007_1
(SERUM ALBUMIN)		Halothane4 / 8
PHE A 103
ASN A 189
LEU A 222
LEU A 224
1.36A17.51
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.
1A52_A_ESTA1_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
ALA C  91
LEU C 182
LEU C 209
ARG C  38
HIS C  70
1.78A11.85
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.
5JLC_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole4 / 5
GLY A 145
THR A 146
GLY A  68
LEU A 235
1.05A18.52
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.
1SG9_C_SAMC303_0
(HEMK PROTEIN)		S-Adenosylmethionine5 / 12
PHE A 416
GLY A 418
SER A 500
GLU A 327
PHE A 325
1.17A12.13
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.
3VAQ_A_ADNA401_2
(PUTATIVE ADENOSINE
KINASE)		Adenosine4 / 4
LEU A 499
ALA A 350
PHE A 325
ASN A 381
1.70A16.25
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.
2Q58_A_ZOLA1_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		Zoledronic acid5 / 10
ASP A 171
ARG A 183
THR A 236
GLN A 147
ASN A 118
1.46A15.73
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.
5YNI_A_SAMA401_0
(NSP16 PROTEIN)		S-Adenosylmethionine5 / 12
GLY C  86
PRO C  82
ASP C  85
LEU C  58
ASP C  57
1.74A13.20
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.
4Z3O_F_MFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE
E-SITE DNA)		Moxifloxacin4 / 5
ARG C 620
ARG C  38
GLY C  39
GLU C 184
1.61A19.98
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		Phenylacetic acid3 / 3
ALA A 398
VAL A 337
TYR A 410
0.74A9.12
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.
4J6C_A_STRA501_1
(CYTOCHROME P450
MONOOXYGENASE)		Progesterone5 / 11
PHE A 870
ALA A 875
ALA A 874
VAL C1022
LEU A1016
1.34A16.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7P_A_SALA1000_1
(LYSR-TYPE REGULATORY
PROTEIN)		Salicylic acid5 / 10
THR B 678
ILE B 656
GLY B 655
HIS B 641
ILE C 826
1.37A9.46
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.
1P7L_C_SAMC685_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		S-Adenosylmethionine4 / 8
PRO C  43
ASP C  44
THR B 559
PHE B 551
1.63A14.69
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.
5DSG_A_0HKA1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		Tiotropium3 / 3
ASN A 901
LEU A1031
PHE A1091
0.98A16.01
NAG  A1311 (-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.
1LQT_A_ACTA1871_0
(FPRA)		Acetic acid4 / 7
PRO B 210
ALA B  90
PHE B 253
SER B  35
1.31A16.44
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.
1FKL_A_RAPA108_1
(FK506 BINDING
PROTEIN)		Sirolimus5 / 12
TYR A 899
VAL C1110
ILE C1115
ILE C1063
PHE C1071
1.52A6.28
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.
3P2K_A_SAMA6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY A 820
ASN A 838
ALA C 633
LEU A 840
LEU A 843
1.30A10.99
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.
4XV2_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib5 / 12
PHE A 379
ALA A 350
LEU A 499
GLY A 418
ASP A 376
1.56A13.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DF3_A_SAMA301_1
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		S-Adenosylmethionine3 / 3
TYR A 622
THR A 624
GLU A 593
1.47A10.24
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.
4O8F_B_BRLB501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone5 / 6
ILE B 228
PHE B 231
GLY B 104
ILE B 152
LEU B 194
1.36A13.58
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.
4YPE_A_SAMA2304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		S-Adenosylmethionine5 / 12
ASP B 393
TYR B 481
GLN B 396
LYS B 411
ILE B 397
1.57A9.81
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.
5M66_D_ADND502_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
THR C 863
GLN C 883
GLY C1017
MET C 884
PHE C 880
1.49A17.51
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.
4MJ8_A_SPMA202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		Spermine4 / 8
GLU B 970
ILE B 955
GLN B 974
LEU B 959
1.17A9.00
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.
4NOS_B_H4BB1011_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		Sapropterin4 / 7
TRP B 101
PHE B 185
ARG B 183
ILE B 116
1.77A14.50
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.
4CPZ_C_ZMRC1470_1
(NEURAMINIDASE)		Zanamivir5 / 12
ARG C1001
GLU B 999
ARG B1001
ALA A1002
GLU A 999
1.68A16.56
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.
5ZW4_A_SAMA302_0
(PUTATIVE
O-METHYLTRANSFERASE
YRRM)		S-Adenosylmethionine5 / 12
ILE A1000
ALA A1002
ASN B1005
ALA B 998
ALA B 997
1.31A9.88
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.
4P6X_A_HCYA900_1
(GLUCOCORTICOID
RECEPTOR)		Hydrocortisone5 / 12
LEU B 859
GLY B 862
LEU B1016
ILE B 787
PHE B 784
1.30A11.51
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.
5OV9_A_CVIA608_0
(ACETYLCHOLINESTERASE)		Gentian Violet4 / 7
ASP C 518
LEU C 519
THR C 517
VAL C 525
1.41A18.26
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.
4A6D_A_SAMA1350_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
TYR B 738
GLY B 981
ILE B 724
ALA B 954
ARG B 977
1.55A15.45
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.
6MN5_A_LLLA301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		GENTAMICIN C1A4 / 6
ASP B 557
TYR C  53
ASP C  44
GLU C  45
1.56A11.25
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.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		Risedronate5 / 12
ASP A 171
ARG A 183
THR A 247
THR A 236
GLN A 147
1.40A15.23
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.
3EBZ_B_017B201_1
(PROTEASE)		Darunavir5 / 11
ALA A 633
ILE A 656
ILE A 637
ILE A 584
ILE A 652
1.03A6.34
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.
4KYA_C_FOLC703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Folic Acid5 / 10
VAL A 496
MET A 417
LEU A 412
VAL A 498
THR A 363
1.43A18.78
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		Disopyramide5 / 12
ILE B 891
PHE B1034
GLN B1018
ALA B 906
PHE B 909
1.34A9.30
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.
5VDI_A_IVMA403_0
(GLYCINE RECEPTOR
SUBUNIT ALPHA-3)		Ivermectin5 / 10
SER C 712
ALA C 753
PRO C 845
LEU C 846
ILE B 652
1.47A14.63
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.
1Q23_H_FUAH709_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid5 / 12
PHE B 501
LEU B 499
PHE B 329
VAL B 382
VAL B 354
1.23A10.69
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.
1FJA_C_DVAC8_0
(ACTINOMYCIN D)		L-Valine3 / 3
THR B1059
THR B 693
PRO C 879
1.32A0.95
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.
2ZIF_A_SAMA298_0
(PUTATIVE
MODIFICATION
METHYLASE)		S-Adenosylmethionine5 / 12
ALA B 885
PRO A1061
PHE A1057
GLY A1075
THR A1087
1.47A12.91
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.
4MWV_A_BCZA513_0
(NEURAMINIDASE)		Peramivir5 / 12
GLU A 452
LEU A 448
ILE A 455
ARG A 453
ARG A 342
1.29A15.83
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.
1DB1_A_VDXA428_2
(VITAMIN D NUCLEAR
RECEPTOR)		Calcitriol4 / 6
ILE C 117
TRP C 101
TYR C 252
VAL C 140
1.50A13.24
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.
1MNV_D_DVAD2_0
(ACTINOMYCIN D)		L-Valine3 / 3
THR C 775
PRO C 774
THR C 773
1.34A0.95
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.
6FBP_B_ADNB404_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		Adenosine5 / 12
ASP B 961
ILE B 955
PRO B 968
SER B 956
ASP B 967
1.62A16.87
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.
2W26_A_RIVA1001_1
(ACTIVATED FACTOR XA
HEAVY CHAIN)		Rivaroxaban5 / 12
ASP B1023
SER B1019
GLY B1026
GLY B1028
TYR B1029
1.34A11.26
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.
5JLC_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole5 / 12
PHE C 909
ILE C 704
PHE C 784
THR C 863
THR C 775
1.41A18.52
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.
1QHY_A_CLMA999_0
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE)		Chloramphenicol5 / 12
ILE C 704
ILE C 913
PHE C 909
ILE C 787
MET C 884
1.37A9.47
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.
3FUP_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE JAK2)		Tofacitinib5 / 12
GLY B 145
LYS B 175
SER B 120
LEU B 170
ASP B 171
1.35A12.18
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.
1RMT_D_ADND1504_1
(CLASS B ACID
PHOSPHATASE)		Adenosine4 / 8
ASP A  57
PHE A  59
LEU A 264
THR A 260
1.25A11.43
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.
1G5Y_C_9CRC502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 10
ALA B  91
LEU B 209
SER B  36
LEU B  60
PHE B 253
1.50A10.62
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.
4FEW_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP A  57
GLU C 502
ASP A  44
GLU A  45
1.55A12.18
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.
1LH6_A_NIOA155_1
(LEGHEMOGLOBIN A
(NICOTINATE MET))		Niacin4 / 7
PHE B 909
PHE B 782
PHE B 880
VAL B1047
0.91A9.18
None