PDB ID: 2jzd


Macromolecule:
REPLICASE POLYPROTEIN 1AB

Source Organism:
SARSr-CoV

Gene names:
1a-1b
rep

UniProt ID:
P0C6X7

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2jzd'

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.
5NZY_A_CE3A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		Cefotaxime4 / 7
PHE A 582
GLN A 561
ILE A 567
GLY A 566
1.34A13.75
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.
5HWK_A_BEZA301_0
(GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE)		Benzoic Acid5 / 10
GLY A 646
TYR A 647
SER A 650
LEU A 648
ARG A 625
1.59A19.37
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.
3UF8_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		Tacrolimus5 / 10
ASP A 552
VAL A 589
ILE A 608
TYR A 583
ILE A 549
1.59A20.00
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.
3SUF_D_SUED1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir4 / 5
GLN A 570
PHE A 582
TYR A 576
ARG A 579
1.76A22.49
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.
5UL4_A_SAMA803_0
(OXSB PROTEIN)		S-Adenosylmethionine5 / 12
PHE A 582
ARG A 579
GLY A 577
ILE A 560
MET A 557
1.62A10.71
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		Montelukast5 / 12
SER A 650
THR A 612
VAL A 589
ALA A 590
THR A 594
1.41A15.65
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.
3RUN_A_CCSA165_0
(LYSOZYME)		Carbocisteine3 / 3
ASN A 597
ALA A 629
LYS A 628
1.72A22.78
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.
3RHW_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE A 608
PRO A 607
MET A 624
THR A 528
ILE A 549
1.41A15.98
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.
3A3Y_A_OBNA6000_1
(NA, K-ATPASE ALPHA
SUBUNIT)		Ouabain5 / 10
GLU A 571
ALA A 540
PHE A 581
LEU A 596
THR A 605
1.48A8.93
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.
5HKG_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B)		Sirolimus5 / 12
PHE A 615
VAL A 589
ILE A 608
TYR A 583
VAL A 553
1.52A24.14
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.
6D9K_F_ACTF802_0
(UNCHARACTERIZED
PROTEIN)		Acetic acid3 / 3
TYR A 564
ALA A 540
LEU A 537
1.09A9.91
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.
5ZWR_A_9KLA402_0
(EST-Y29)		Dexketoprofen5 / 12
TYR A 644
ILE A 608
LEU A 627
ALA A 621
LEU A 648
1.64A17.53
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.
4PEV_C_ADNC501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		Adenosine3 / 3
PRO A 607
VAL A 604
HIS A 539
1.64A15.64
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.
1DHJ_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE A 592
ALA A 590
LEU A 603
PRO A 602
ILE A 608
1.49A22.70
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.
1FDU_B_ESTB354_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		Estradiol4 / 8
SER A 637
VAL A 635
LEU A 617
TYR A 647
1.43A16.85
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.
4RJD_A_TFPA203_1
(CALMODULIN)		Trifluoperazine5 / 8
ILE A 560
LEU A 533
MET A 536
ALA A 540
MET A 547
1.73A17.36
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		Clarithromycin5 / 12
ILE A 608
TYR A 583
HIS A 613
GLU A 619
TYR A 644
1.69A16.83
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.
1C9H_A_RAPA108_1
(FKBP12.6)		Sirolimus5 / 12
PHE A 615
VAL A 589
ILE A 608
TYR A 583
VAL A 553
1.54A24.14
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.
3PWR_A_ROCA401_2
(PROTEASE)		Saquinavir3 / 3
ARG A 625
VAL A 635
THR A 528
0.86A19.26
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.
3EM0_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid5 / 12
ILE A 593
ILE A 592
GLY A 572
PHE A 582
LEU A 603
1.56A21.38
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.
1HK2_A_T44A3004_1
(SERUM ALBUMIN)		Levothyroxine4 / 7
ALA A 621
GLU A 618
LEU A 617
VAL A 635
1.04A12.93
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		Desipramine4 / 7
ILE A 556
PHE A 582
ILE A 567
PHE A 580
1.33A12.91
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.
6F32_B_ACTB602_0
(AMINE OXIDASE LKCE)		Acetic acid4 / 6
TYR A 647
VAL A 635
VAL A 641
THR A 643
1.70A15.12
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.
2NNH_B_9CRB502_1
(CYTOCHROME P450 2C8)		Alitretinoin5 / 10
ILE A 556
ILE A 549
LEU A 533
ASN A 532
VAL A 604
1.53A15.65
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.
5L2I_A_LQQA900_1
(CYCLIN-DEPENDENT
KINASE 6)		Palbociclib6 / 12
ILE A 608
GLY A 609
TYR A 644
THR A 594
LEU A 603
ALA A 631
1.79A15.20
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.
5UUN_A_ACTA307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid4 / 4
LEU A 546
LEU A 603
SER A 598
ALA A 629
1.28A19.10
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.
5HW8_A_FK5A201_1
(FK506-BINDING
PROTEIN 1)		Tacrolimus5 / 11
ASP A 552
VAL A 589
ILE A 608
TYR A 583
ILE A 549
1.55A18.40
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.
5GWK_F_EVPF102_1
(DNA TOPOISOMERASE
2-ALPHA)		Etoposide4 / 5
GLY A 577
ASP A 575
ARG A 579
MET A 551
1.54A11.69
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.
2YFX_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)		Crizotinib5 / 8
LEU A 617
ALA A 620
MET A 624
GLY A 646
LEU A 648
1.55A16.54
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.
4DZ3_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		Tacrolimus5 / 10
ASP A 552
VAL A 589
ILE A 608
TYR A 583
ILE A 549
1.64A22.30
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.
3K4V_B_ROCB201_2
(HIV-1 PROTEASE)		Saquinavir3 / 3
ARG A 625
VAL A 635
THR A 528
0.90A18.18
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.
4DFR_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE A 593
ALA A 620
LEU A 648
THR A 605
SER A 634
1.51A22.09
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.
3P4W_D_DSFD319_1
(GLR4197 PROTEIN)		Desflurane5 / 10
ILE A 560
ILE A 556
MET A 557
TYR A 583
ILE A 569
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.
2NNH_A_9CRA502_1
(CYTOCHROME P450 2C8)		Alitretinoin5 / 12
ILE A 593
SER A 591
ILE A 592
LEU A 596
ASN A 600
1.43A15.65
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.
2QD5_B_CHDB1104_0
(FERROCHELATASE)		Cholic Acid3 / 3
LEU A 546
PRO A 548
LEU A 603
1.23A17.33
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.
5FSA_B_X2NB590_2
(CYP51 VARIANT1)		Posaconazole3 / 3
PRO A 607
LEU A 603
SER A 634
1.26A13.81
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.
5I9Y_A_1N1A1001_2
(EPHRIN TYPE-A
RECEPTOR 2)		Dasatinib3 / 3
ILE A 549
ILE A 592
MET A 547
1.63A17.32
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.
5EB5_B_010B607_0
(HNL ISOENZYME 5)		Benzyl alcohol5 / 10
ALA A 538
ALA A 540
VAL A 578
LEU A 533
TYR A 564
1.63A13.45
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.
3CE6_B_ADNB500_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
LEU A 533
GLN A 561
THR A 559
THR A 605
1.68A15.28
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.
4JLT_A_8PRA505_1
(CYTOCHROME P450 2B4)		Paroxetine4 / 8
ILE A 549
ILE A 569
VAL A 574
VAL A 578
1.22A13.89
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.
2NNK_A_ROCA401_2
(PROTEASE)		Saquinavir3 / 3
ARG A 625
VAL A 635
THR A 528
0.84A20.00
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.
3QXV_A_MTXA2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		Methotrexate5 / 12
ALA A 621
SER A 650
SER A 651
ASN A 645
VAL A 633
1.55A24.32
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.
5A6I_A_TCWA1124_1
(TRANSTHYRETIN)		Tolcapone4 / 6
LEU A 596
ALA A 631
LEU A 546
VAL A 633
1.33A21.74
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.
3VT7_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		Calcitriol4 / 4
LEU A 546
ILE A 556
TYR A 564
TYR A 583
1.42A19.41
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		Alectinib5 / 10
LEU A 648
ALA A 621
VAL A 635
LEU A 617
GLY A 527
1.48A15.90
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.
3QL3_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A 593
ALA A 629
LEU A 599
LYS A 595
ILE A 608
1.74A22.09
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.
4IOM_A_FOLA608_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)		Folic Acid4 / 7
ALA A 629
PRO A 602
LEU A 596
LEU A 627
1.33A13.24
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.
3NDT_A_ROCA101_2
(PROTEASE)		Saquinavir3 / 3
ARG A 625
VAL A 635
THR A 528
0.91A18.18
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.
3RIA_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE A 567
ILE A 573
GLY A 572
ILE A 549
PRO A 548
1.30A15.98
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.
4LBG_A_ADNA402_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 10
THR A 528
ILE A 593
VAL A 589
ALA A 620
ALA A 621
1.61A17.49
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.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
PHE A 580
ILE A 567
GLY A 572
PHE A 582
1.17A18.60
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.
4L1W_B_STRB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		Progesterone4 / 6
TYR A 644
VAL A 589
ILE A 593
LEU A 603
1.51A16.46
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.
4DXU_A_ACAA711_1
(LACTOTRANSFERRIN)		Aminocaproic Acid4 / 6
PRO A 607
GLY A 609
GLU A 619
TYR A 610
1.43A18.24
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.
3VT3_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		Calcitriol3 / 3
LEU A 603
ILE A 560
TYR A 583
0.82A19.41
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.
3GGU_B_017B201_1
(PROTEASE)		Darunavir5 / 12
LEU A 603
ALA A 540
ILE A 560
THR A 605
VAL A 604
1.26A18.25
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.
3CYX_A_ROCA201_2
(HIV-1 PROTEASE)		Saquinavir3 / 3
ARG A 625
VAL A 635
THR A 528
1.57A19.26
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.
4ANS_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib5 / 9
LEU A 617
ALA A 620
MET A 624
GLY A 646
LEU A 648
1.54A17.69
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.
3RHW_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE A 608
MET A 624
THR A 528
SER A 634
ILE A 549
1.52A15.98
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.
2VN1_B_FK5B501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		Tacrolimus5 / 10
PHE A 615
VAL A 589
ILE A 608
TYR A 583
CYH A 550
1.54A21.43
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.
5H8T_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
LEU A 627
ALA A 631
TYR A 583
ILE A 608
LEU A 533
1.52A20.28
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.
2OCU_A_TYLA3001_1
(LACTOTRANSFERRIN)		Acetaminophen3 / 3
LEU A 617
TYR A 610
GLY A 614
0.92A18.07
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.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		Pemetrexed5 / 12
ILE A 592
PHE A 581
ARG A 579
LEU A 603
SER A 598
1.28A13.70
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.
2C6N_B_LPRB705_2
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		Lisinopril3 / 3
ALA A 590
THR A 594
PHE A 615
1.65A12.94
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.
2VCT_D_ASDD1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		4-Androstenedione4 / 7
GLY A 577
LEU A 546
PHE A 580
PHE A 582
1.38A24.54
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.
5DZK_4_BEZ4801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid4 / 5
LEU A 603
PHE A 581
ILE A 608
ILE A 592
1.41A13.33
21.33
21.65
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.
2M9Q_B_BEZB251_0
(SERINE PROTEASE
INHIBITOR
SERINE PROTEASE
SUBUNIT NS2B, SERINE
PROTEASE NS3)		Benzoic Acid5 / 9
LEU A 627
ILE A 592
PHE A 581
ALA A 631
LEU A 596
1.45A18.83
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.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE A 593
LEU A 648
THR A 605
SER A 634
TYR A 583
1.52A22.09
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.
5B8I_C_FK5C201_3
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		Tacrolimus5 / 12
ASP A 552
VAL A 589
ILE A 608
TYR A 583
ILE A 549
1.56A20.00
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.
4UBS_A_DIFA502_1
(PENTALENIC ACID
SYNTHASE)		Diclofenac5 / 9
LEU A 603
SER A 598
THR A 594
LEU A 596
ILE A 593
1.72A16.30
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.
5ZSF_B_6T0B913_0
(TOLL-LIKE RECEPTOR 7)		Imiquimod5 / 9
VAL A 578
PHE A 580
THR A 559
LEU A 533
ILE A 549
1.68A9.83
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.
4NED_A_PFNA709_1
(LACTOTRANSFERRIN)		Fenoprofen4 / 6
VAL A 553
SER A 636
ALA A 620
PHE A 615
1.76A18.07
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.
5PBE_A_TYLA2001_1
(BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2B)		Acetaminophen4 / 6
PRO A 548
VAL A 578
TYR A 564
ILE A 549
1.47A17.36
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_G_FK5G201_2
(FK506-BINDING
PROTEIN 1)		Tacrolimus5 / 11
ASP A 552
VAL A 589
ILE A 608
TYR A 583
ILE A 549
1.57A18.40
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.
1RE7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A 592
ALA A 590
LEU A 603
PRO A 602
ILE A 608
1.44A22.09
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.
6EF6_A_BEZA401_0
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		Benzoic Acid5 / 9
LEU A 596
SER A 598
ILE A 592
VAL A 589
ILE A 593
1.70A15.68
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.
5IGI_A_ZITA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		Azithromycin4 / 6
PRO A 548
HIS A 613
ALA A 621
LEU A 648
1.37A18.53
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.
3WAR_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA)		Niacin4 / 8
VAL A 574
ILE A 549
PHE A 580
MET A 551
1.18A18.53
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.
1JG2_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		Adenosine5 / 12
ILE A 549
ASP A 575
GLY A 577
ALA A 540
VAL A 604
1.33A17.72
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.
6NMP_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
ILE A 593
LEU A 627
ARG A 622
LEU A 648
1.29A13.03
19.17
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.
3B2R_B_VDNB1_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Vardenafil5 / 11
ILE A 549
LEU A 537
ALA A 540
ILE A 573
PHE A 580
1.29A18.06
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.
1Q6I_A_FK5A301_1
(FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA)		Tacrolimus5 / 9
ASP A 552
VAL A 589
ILE A 608
TYR A 583
ILE A 549
1.58A16.59
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		Cefoxitin3 / 3
SER A 634
SER A 530
HIS A 539
1.12A16.81
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		Ketoconazole5 / 11
SER A 585
THR A 612
LEU A 533
ALA A 558
THR A 584
1.45A14.50
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.
1T7J_A_478A200_1
(POL POLYPROTEIN)		Amprenavir5 / 11
LEU A 603
ALA A 540
ILE A 560
THR A 605
VAL A 604
1.28A19.71
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.
2NMZ_B_ROCB401_2
(PROTEASE)		Saquinavir3 / 3
ARG A 625
VAL A 635
THR A 528
0.90A20.00
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.
4X1I_B_LOCB502_2
(TUBULIN BETA CHAIN)		Colchicine5 / 12
CYH A 623
LYS A 628
LEU A 627
VAL A 589
ALA A 590
1.50A17.01
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.
3RI5_A_IVMA349_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 13
ILE A 608
MET A 624
THR A 528
SER A 634
ILE A 549
1.53A15.98
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.
2GJ5_A_VD3A163_1
(BETA-LACTOGLOBULIN)		Cholecalciferol5 / 12
LEU A 599
ILE A 593
LEU A 627
ILE A 608
ILE A 592
1.25A20.25
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.
5HWC_A_FK5A201_1
(FK506-BINDING
PROTEIN 1A)		Tacrolimus5 / 11
ASP A 552
VAL A 589
ILE A 608
TYR A 583
ILE A 549
1.62A22.63
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.
2XN7_A_T44A1355_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
LEU A 603
LEU A 546
LEU A 599
ASN A 600
LEU A 596
1.51A16.81
14.95
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.
2VCV_D_ASDD1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione5 / 9
TYR A 644
PRO A 548
LEU A 596
LEU A 603
ALA A 631
1.48A23.18
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.
3GVU_A_STIA1002_1
(TYROSINE-PROTEIN
KINASE ABL2)		Imatinib5 / 8
LEU A 617
ALA A 621
GLY A 609
PRO A 607
VAL A 633
1.66A18.18
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.
5ECM_D_LEUD602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Leucine4 / 7
ALA A 540
VAL A 578
GLU A 535
HIS A 539
1.30A12.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PRG_A_BRLA1_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone3 / 3
ILE A 549
ILE A 569
LEU A 599
0.88A19.54
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.
2NXE_A_SAMA302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
PHE A 582
LEU A 599
GLY A 572
ILE A 592
LEU A 546
LEU A 603
1.62A18.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDU_D_ROCD100_3
(PROTEASE)		Saquinavir3 / 3
ARG A 625
VAL A 635
THR A 528
0.81A18.18
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.
4JQ1_B_NPSB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		Naproxen4 / 8
VAL A 611
TYR A 610
VAL A 553
ILE A 556
1.41A16.56
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.
3B2R_A_VDNA1_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Vardenafil5 / 12
ILE A 549
LEU A 537
ALA A 540
ILE A 573
PHE A 580
1.28A18.06
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.
3RI5_A_IVMA349_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 13
ILE A 608
PRO A 607
MET A 624
THR A 528
ILE A 549
1.40A15.98
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		Acetylsalicylic acid3 / 3
GLU A 618
GLY A 646
THR A 643
1.04A18.07
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		Rosiglitazone5 / 12
PRO A 548
LEU A 596
LEU A 627
CYH A 623
ILE A 608
1.43A15.57
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.
2UXO_B_TACB1211_1
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR)		Tetracycline5 / 11
LEU A 603
LEU A 596
ILE A 560
VAL A 574
ILE A 573
1.37A18.87
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		Benzyl alcohol5 / 11
ALA A 538
ALA A 540
VAL A 578
LEU A 533
TYR A 564
1.59A13.45
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.
4O1Z_A_MXMA807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Meloxicam5 / 12
ILE A 573
SER A 598
LEU A 596
LEU A 599
LEU A 546
1.30A12.08
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.
3TPX_E_ACTE204_0
(E3 UBIQUITIN-PROTEIN
LIGASE MDM2)		Acetic acid3 / 3
LYS A 545
PRO A 602
LEU A 603
1.74A20.87
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.
3NDI_A_SAMA601_0
(METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ILE A 549
PHE A 582
PHE A 581
PHE A 580
THR A 605
1.65A18.18
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.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
PHE A 580
ILE A 567
GLY A 572
PHE A 582
1.20A18.12
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.
3BCR_A_AZZA940_1
(GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM)		Zidovudine4 / 5
ASN A 616
ALA A 620
GLY A 609
TYR A 610
1.47A9.39
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.
1WOP_A_FFOA2888_0
(AMINOMETHYLTRANSFERA
SE)		Levoleucovorin5 / 10
LEU A 627
LEU A 596
ILE A 608
GLU A 541
LEU A 546
1.67A16.71
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.
4KM2_A_TOPA202_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 12
ALA A 621
THR A 605
LEU A 603
LEU A 596
ILE A 608
1.30A23.98
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		Fludarabine4 / 4
LEU A 533
GLN A 561
THR A 559
THR A 605
1.70A15.28
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.
1XBB_A_STIA1_1
(TYROSINE-PROTEIN
KINASE SYK)		Imatinib5 / 9
LEU A 617
ALA A 620
MET A 624
GLY A 646
LEU A 648
1.70A19.54
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.
5YU9_D_1E8D1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Ibrutinib5 / 12
VAL A 589
ALA A 620
ASP A 552
THR A 605
LEU A 596
1.69A17.63
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.
1X70_B_715B801_2
(DIPEPTIDYL PEPTIDASE
IV)		Sitagliptin3 / 3
PHE A 582
TYR A 564
TYR A 576
1.51A12.61
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.
5DQY_A_BEZA401_0
(THIOREDOXIN)		Benzoic Acid4 / 8
ILE A 592
VAL A 589
SER A 626
CYH A 623
1.28A19.55
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.
4XI3_B_29SB601_1
(ESTROGEN RECEPTOR)		Bazedoxifene5 / 12
ALA A 629
LEU A 596
LEU A 627
GLY A 527
PRO A 548
1.16A18.75
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.
2Q6H_A_CXXA802_1
(TRANSPORTER)		Clomipramine4 / 7
ILE A 556
PHE A 582
ILE A 567
PHE A 580
1.33A12.91
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.
1WSV_A_THHA3001_0
(AMINOMETHYLTRANSFERA
SE)		Levomefolic acid5 / 12
THR A 559
LEU A 533
ILE A 556
VAL A 553
PHE A 580
1.76A16.02
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.
4EYZ_A_CCSA109_0
(CELLULOSOME-RELATED
PROTEIN MODULE FROM
RUMINOCOCCUS
FLAVEFACIENS THAT
RESEMBLES
PAPAIN-LIKE CYSTEINE
PEPTIDASES)		Carbocisteine5 / 8
ASN A 597
VAL A 589
ILE A 608
SER A 626
ALA A 631
1.57A18.99
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.
4JX1_E_CAME502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 5
PHE A 580
TYR A 564
THR A 559
ILE A 549
1.16A15.01
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		Alprazolam4 / 7
LEU A 596
LEU A 603
ILE A 549
MET A 551
1.56A18.79
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.
5MUR_E_PFLE406_1
(PROTON-GATED ION
CHANNEL)		Propofol5 / 10
MET A 547
THR A 559
ILE A 560
ILE A 556
ILE A 549
1.64A19.66
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.
3IHZ_A_FK5A501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		Tacrolimus5 / 10
ASP A 552
VAL A 589
ILE A 608
TYR A 583
ILE A 549
1.66A21.48
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.
3TM4_A_SAMA401_0
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		S-Adenosylmethionine5 / 12
ALA A 631
GLY A 527
ALA A 640
PRO A 607
LEU A 617
1.53A16.80
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.
1MJQ_G_SAMG199_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 10
ALA A 629
LEU A 603
PRO A 548
ALA A 631
GLY A 527
1.70A20.61
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.
4L9I_A_8PRA601_1
(RHODOPSIN KINASE)		Paroxetine4 / 7
VAL A 604
ALA A 540
LEU A 596
LEU A 533
1.25A14.39
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.
5DZK_W_BEZW801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid4 / 5
PHE A 581
ILE A 608
ILE A 592
LEU A 603
1.46A21.33
21.65
13.33
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.
5JGL_B_SAMB301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
GLY A 609
LEU A 596
ALA A 631
ALA A 621
SER A 626
1.47A17.06
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.
2ZBP_A_SAMA300_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
PHE A 582
LEU A 599
GLY A 572
ILE A 592
LEU A 546
LEU A 603
1.67A18.36
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.
1EE2_B_CHDB1250_0
(ALCOHOL
DEHYDROGENASE)		Cholic Acid3 / 3
MET A 624
LEU A 627
SER A 626
0.94A16.12
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.
5ECO_D_LEUD602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Leucine4 / 7
ALA A 540
VAL A 578
GLU A 535
HIS A 539
1.18A12.94
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.
3CLB_C_TMQC613_1
(DHFR-TS)		Trimetrexate5 / 12
ALA A 621
THR A 605
PRO A 602
LEU A 596
ILE A 608
1.47A12.98
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.
1DMA_A_NCAA700_0
(EXOTOXIN A)		Nicotinamide4 / 7
GLY A 609
LEU A 617
ALA A 620
TYR A 610
1.14A25.52
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.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
PHE A 580
ILE A 567
GLY A 572
PHE A 582
1.14A18.60
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.
3VN2_A_TLSA501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Telmisartan5 / 8
ILE A 567
LEU A 533
LEU A 603
LEU A 596
LEU A 599
1.51A20.00
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.
6BPY_A_ACTA408_0
(THIOREDOXIN
REDUCTASE)		Acetic acid3 / 3
PRO A 638
SER A 637
SER A 530
1.21A16.84
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.
3TL9_A_ROCA401_2
(PROTEASE)		Saquinavir3 / 3
ARG A 625
VAL A 635
THR A 528
0.86A20.93
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.
5H3A_A_D16A401_1
(ORF70)		Raltitrexed4 / 7
PHE A 580
ILE A 567
GLY A 572
PHE A 582
1.09A18.73
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.
4I00_A_ZMRA509_2
(NEURAMINIDASE)		Zanamivir4 / 5
LEU A 648
ARG A 625
ILE A 593
ASN A 600
1.57A18.18
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.
4KJL_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A 549
ARG A 534
LEU A 537
ILE A 560
THR A 612
1.44A22.00
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.
5ZWR_B_9KLB402_0
(EST-Y29)		Dexketoprofen5 / 12
TYR A 644
ILE A 608
LEU A 627
ALA A 621
LEU A 648
1.67A17.53
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.
4JJK_A_FOLA601_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)		Folic Acid5 / 8
ASN A 600
ALA A 629
PRO A 602
LEU A 596
LEU A 627
1.60A13.24
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.
1PKV_A_RBFA100_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		Riboflavin5 / 11
SER A 585
CYH A 550
THR A 584
THR A 605
ILE A 556
1.52A22.73
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.
1R5L_A_VIVA301_0
(PROTEIN
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN))		Vitamin E6 / 12
VAL A 633
ILE A 593
ILE A 608
VAL A 553
ILE A 549
ILE A 592
1.78A19.62
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.
2QBM_A_CAMA517_0
(CYTOCHROME P450-CAM)		Camphor4 / 8
THR A 605
THR A 612
VAL A 589
ILE A 592
1.23A15.17
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.
1WSV_B_THHB4001_0
(AMINOMETHYLTRANSFERA
SE)		Levomefolic acid5 / 12
THR A 559
LEU A 533
ILE A 556
VAL A 553
PHE A 580
1.72A16.02
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.
5X5Q_C_D16C402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 7
PHE A 580
ILE A 567
GLY A 572
PHE A 582
1.13A18.60
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.
3RHW_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE A 549
PRO A 548
ILE A 567
ILE A 573
GLY A 572
1.30A15.98
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		Fludarabine4 / 5
LEU A 533
GLN A 561
THR A 559
THR A 605
1.68A15.28
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.
4CCQ_A_ACTA1317_0
(THIOREDOXIN
REDUCTASE)		Acetic acid3 / 3
LEU A 596
GLU A 601
SER A 598
1.51A17.76
None