PDB ID: 2hsx


Macromolecule:
LEADER PROTEIN
P65 HOMOLOG
NSP1

Source Organism:
SARSr-CoV

Gene names:
-

UniProt ID:
P0C6X7

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

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.
4KQI_A_NIOA403_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY A  83
GLY A  90
LEU A  45
SER A  89
ARG A  88
1.78A16.67
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.
1V2X_A_SAMA400_0
(TRNA (GM18)
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A  21
SER A  29
LEU A  28
VAL A  24
ALA A  79
1.38A22.45
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.
1CMA_B_SAMB105_0
(PROTEIN (MET
REPRESSOR))		S-Adenosylmethionine5 / 11
GLU A  44
ARG A 108
LEU A  42
LEU A  45
GLY A  48
1.59A19.33
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.
5C0O_G_SAMG301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		S-Adenosylmethionine5 / 12
PRO A   8
GLY A  94
GLY A  41
LEU A  96
LEU A  93
1.40A21.01
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.
1BCU_H_PRLH280_0
(ALPHA-THROMBIN)		Proflavine5 / 9
ALA A  31
GLU A  25
VAL A  58
GLY A  21
GLY A  19
1.52A18.53
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.
5CP4_A_CAMA422_0
(CYTOCHROME P450CAM)		Camphor5 / 9
LEU A  42
VAL A  95
GLY A  94
THR A  92
VAL A  78
1.73A13.41
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.
3OHT_A_1N1A1000_2
(P38A)		Dasatinib3 / 3
GLU A 102
LEU A  10
LEU A  45
1.13A14.55
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.
3QUO_A_FCNA4001_1
(FOMA PROTEIN)		Fosfomycin5 / 8
GLY A  87
GLY A  94
ILE A  60
GLY A  90
SER A  89
1.68A18.12
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.
6B3A_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		S-Adenosylmethionine5 / 12
GLY A  19
GLY A  21
TYR A  57
ALA A  27
PRO A  51
1.26A11.32
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.
3ELZ_A_CHDA153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid4 / 4
ILE A  84
THR A  92
LYS A  61
TYR A  57
1.53A23.24
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.
5D0Y_A_FOLA201_1
(CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN)		Folic Acid3 / 3
ARG A 113
LYS A  61
GLU A  76
1.78A22.51
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.
1MJ2_A_SAMA2200_0
(PROTEIN (METHIONINE
REPRESSOR))		S-Adenosylmethionine5 / 12
GLY A  48
GLU A  44
ARG A 108
LEU A  42
LEU A  45
1.63A19.33
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.
2JKJ_D_CLMD1142_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		Chloramphenicol4 / 5
PRO A  56
ILE A  84
GLY A  83
TYR A  57
1.24A25.49
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.
1XDK_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ALA A  31
LEU A  28
ALA A  27
VAL A  75
LEU A   7
1.51A20.85
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.
3TGV_B_BEZB160_0
(HEME-BINDING PROTEIN
HUTZ)		Benzoic Acid4 / 4
LEU A  93
GLY A  94
LEU A  45
GLU A  44
1.29A21.02
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.
2FCN_B_DVAB35_0
(UBIQUITIN)		L-Valine4 / 6
LEU A  53
GLN A  55
GLU A  80
PRO A  56
1.61A23.36
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.
2PNJ_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU A  50
LEU A  53
ILE A  84
LEU A  96
VAL A  24
1.41A18.45
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.
2XFS_A_J01A500_1
(ORF12)		Clavulanate4 / 8
VAL A 110
LEU A  28
ARG A  32
ALA A  31
1.46A19.22
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.
3G5D_B_1N1B1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Dasatinib5 / 12
ALA A 106
GLU A  46
TYR A 107
GLY A  41
LEU A  42
1.46A19.52
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.
1NT2_A_SAMA301_0
(FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN)		S-Adenosylmethionine5 / 12
GLY A  21
ALA A  27
SER A  29
TYR A  57
GLN A  55
1.56A19.25
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.
5M8R_B_MMSB514_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		Mimosine4 / 8
HIS A   2
LEU A  77
VAL A  74
SER A  63
1.40A15.19
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.
4HTF_A_SAMA301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A  19
GLY A  21
LEU A  53
VAL A  17
VAL A  15
1.37A18.57
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.
4WQ4_A_ACTA403_0
(TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE)		Acetic acid3 / 3
VAL A  24
LEU A  28
VAL A  58
0.88A17.67
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.
2PO7_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU A  50
LEU A  53
ILE A  84
LEU A  96
VAL A  24
1.51A18.45
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.
4OR0_B_NPSB603_1
(SERUM ALBUMIN)		Naproxen5 / 11
LEU A  77
VAL A  95
LEU A  42
LEU A  28
LEU A  35
1.48A12.19
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.
5VCE_A_RITA602_2
(CYTOCHROME P450 3A4)		Ritonavir4 / 6
ARG A  18
PHE A  59
ILE A  60
THR A  92
1.45A17.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R20_B_AERB602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		Abiraterone5 / 9
ALA A 106
ILE A  60
VAL A  95
GLY A  41
VAL A  43
1.63A13.08
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.
1EE2_A_CHDA1150_0
(ALCOHOL
DEHYDROGENASE)		Cholic Acid5 / 11
LEU A  28
LEU A  42
LEU A  35
VAL A  78
ILE A  60
1.67A15.66
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.
1CMC_B_SAMB105_0
(MET REPRESSOR)		S-Adenosylmethionine5 / 10
GLU A  44
ARG A 108
LEU A  42
LEU A  45
GLY A  48
1.60A19.33
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.
5HBS_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		Vitamin A4 / 8
LEU A  53
LEU A  96
THR A  92
GLN A  85
1.20A15.97
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.
2XF3_A_J01A500_1
(ORF12)		Clavulanate5 / 10
VAL A  75
ILE A  60
LEU A  10
LEU A  96
GLY A  41
1.75A19.22
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.
4USW_A_ACTA1470_0
(ADENYLATE CYCLASE
TYPE 10)		Acetic acid4 / 6
LEU A  53
LEU A  96
VAL A  97
PHE A  59
1.25A13.70
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.
4D39_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		Acetic acid4 / 6
GLY A  87
ILE A  84
GLN A  85
VAL A  78
1.49A14.09
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.
5QGZ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  75
VAL A  74
GLN A   4
0.85A23.63
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.
5QH0_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  75
VAL A  74
GLN A   4
0.86A23.63
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Osimertinib5 / 8
LEU A  96
VAL A  58
ALA A  31
LEU A  35
GLY A  41
1.45A17.58
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.
4GC9_A_SAMA401_0
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		S-Adenosylmethionine5 / 12
GLY A  87
ILE A  84
VAL A  95
LEU A  50
VAL A  49
1.08A17.02
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.
4IK6_B_LURB201_1
(TRANSTHYRETIN)		Lumiracoxib4 / 8
LEU A 112
GLU A  76
LEU A   5
VAL A  58
1.22A27.41
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.
5NOO_D_D16D402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
TYR A  86
LEU A  93
GLY A  94
PHE A  59
1.28A
None
Potential target for repurposing, i.e. matched protein structure has less than 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
ASP A  14
VAL A  43
VAL A  49
GLN A  52
1.24A17.96
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.
5IWU_A_ACTA402_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		Acetic acid4 / 6
VAL A  78
TYR A  86
ILE A  91
ASP A  64
1.74A17.61
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.
2RIW_A_T44A1395_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
ALA A  79
LEU A   7
LEU A  35
LEU A  77
LEU A  96
1.39A16.27
25.64
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.
1T3R_A_017A1200_2
(PROTEASE RETROPEPSIN)		Darunavir5 / 11
LEU A  28
VAL A  95
GLY A  83
ILE A  84
VAL A  78
1.40A26.23
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.
5UMW_F_RBFF201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		Riboflavin4 / 7
LEU A  96
VAL A  74
GLU A  76
SER A  63
1.69A21.52
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.
3V4T_C_ACTC502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid3 / 3
PRO A  56
ASP A  22
GLU A  26
1.19A15.50
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.
5TWJ_D_SAMD201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		S-Adenosylmethionine6 / 11
LEU A  96
GLY A  19
GLY A  21
LEU A  77
LEU A  28
VAL A  58
1.61A21.12
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.
3KVR_A_URFA2001_1
(URIDINE
PHOSPHORYLASE)		Fluorouracil5 / 10
GLY A  41
PHE A  20
GLU A 102
LEU A  42
LEU A   7
1.79A17.33
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		Argatroban5 / 12
LEU A  50
ALA A  27
ALA A  79
VAL A  58
GLY A  19
1.21A18.53
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.
4DQE_B_017B101_1
(ASPARTYL PROTEASE)		Darunavir5 / 11
LEU A  28
VAL A  95
GLY A  83
ILE A  84
VAL A  78
1.47A23.62
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.
1P7R_A_NCTA440_1
(CYTOCHROME P450-CAM)		Nicotine4 / 7
THR A  92
VAL A  78
ASP A  64
ILE A  91
1.31A13.06
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.
3QX3_A_EVPA1_1
(DNA TOPOISOMERASE
2-BETA)		Etoposide4 / 5
GLY A  83
ASP A  82
ARG A  88
GLN A  52
1.80A9.44
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Nintedanib6 / 12
GLU A  33
ALA A  31
VAL A  58
CYH A  40
GLY A  38
LEU A   7
1.71A19.17
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.
4JLT_A_8PRA505_1
(CYTOCHROME P450 2B4)		Paroxetine4 / 8
ILE A 105
VAL A   9
PRO A   8
VAL A  97
1.23A15.16
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.
6HU9_S_PCFS603_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		Colfosceril palmitate4 / 7
GLY A  38
HIS A  99
VAL A  97
SER A   6
1.34A18.49
22.86
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.
5QGX_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  75
VAL A  74
GLN A   4
0.85A23.63
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.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
SER A  89
THR A  92
GLY A  87
GLY A  83
ASP A  82
1.60A16.61
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.
5I9Y_A_1N1A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		Dasatinib5 / 12
ALA A 106
GLU A  46
TYR A 107
GLY A  41
LEU A  42
1.50A18.89
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.
5HHJ_A_GLYA403_0
(RETRON-TYPE REVERSE
TRANSCRIPTASE)		Glycine4 / 4
LEU A  50
LEU A  45
GLY A  87
GLU A  80
1.69A20.22
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.
1JHY_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY A  83
GLY A  90
LEU A  45
SER A  89
ARG A  88
1.73A16.67
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.
1E7A_B_PFLB4002_1
(SERUM ALBUMIN)		Propofol4 / 6
LEU A  45
VAL A  95
VAL A  12
GLN A  52
1.35A12.90
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.
2V0Z_C_C41C1328_1
(RENIN)		Aliskiren5 / 12
GLN A  85
GLY A  94
VAL A  78
GLY A  87
SER A  89
1.48A14.46
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.
5HJI_A_ADNA401_1
(TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A)		Adenosine5 / 11
LEU A  53
PHE A  20
GLY A  21
VAL A  58
PRO A  98
1.58A16.48
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.
5QH6_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  75
VAL A  74
GLN A   4
0.84A23.63
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.
4UCI_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		S-Adenosylmethionine5 / 12
GLU A  54
GLY A  19
LEU A  96
ALA A  79
ALA A  27
1.53A12.22
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.
4N48_B_SAMB601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		S-Adenosylmethionine5 / 12
GLY A  87
GLY A  83
THR A  92
ILE A  60
LEU A  42
1.29A14.05
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.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		Warfarin6 / 11
PHE A  20
ALA A  31
LEU A  77
LEU A  96
LEU A  42
SER A   6
1.70A12.90
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.
4KLR_A_CHDA505_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 5
LEU A   7
PRO A   8
LEU A  42
ILE A  60
1.38A18.50
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.
4DQH_B_017B101_2
(WILD-TYPE HIV-1
PROTEASE DIMER)		Darunavir5 / 10
LEU A  28
VAL A  95
GLY A  83
ILE A  84
VAL A  78
1.48A24.59
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.
5QGL_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  75
VAL A  74
GLN A   4
0.90A23.63
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.
4HOJ_A_ACTA303_0
(REGF PROTEIN)		Acetic acid4 / 5
VAL A  74
ARG A 113
GLU A  76
LEU A  66
1.74A16.98
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		Telbivudine4 / 7
GLU A  46
VAL A  49
LEU A  53
LEU A  10
1.49A19.12
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.
4V04_B_0LIB1771_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib5 / 10
LEU A  53
ARG A 113
LEU A  45
ILE A  91
LEU A  77
1.68A20.71
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.
4WW7_A_ACTA305_0
(EKC/KEOPS COMPLEX
SUBUNIT BUD32)		Acetic acid4 / 6
LEU A  45
LEU A  93
GLU A  44
ILE A  60
1.33A18.94
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.
2PO7_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid3 / 3
LEU A  50
PRO A  51
LEU A  53
1.04A18.45
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.
1JHV_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 8
GLY A  83
GLY A  90
LEU A  45
SER A  89
ARG A  88
1.74A16.67
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.
6MDQ_A_TESA605_0
(SERUM ALBUMIN)		Testosterone4 / 8
GLY A  38
LEU A  96
GLY A  41
LEU A   7
1.12A12.17
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.
5Z12_C_9CRC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ALA A  31
LEU A  28
ALA A  27
VAL A  75
LEU A   7
1.51A18.61
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.
4ODR_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA)		Tacrolimus5 / 11
LEU A  93
LEU A 112
LEU A  77
LEU A  96
ILE A  91
1.48A25.95
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.
2BXQ_A_IMNA2001_1
(SERUM ALBUMIN)		Indomethacin5 / 10
PHE A  20
ALA A  31
ARG A  32
LEU A  77
LEU A  96
1.65A12.72
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.
5HPU_C_IPHC101_0
(INSULIN, CHAIN A
INSULIN, CHAIN B)		Phenol4 / 6
LEU A  77
CYH A  40
HIS A  34
LEU A  96
1.11A10.09
15.38
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.
1ERR_A_RALA600_2
(ESTROGEN RECEPTOR)		Raloxifene5 / 6
LEU A  77
LEU A  42
HIS A  34
LEU A  53
LEU A  50
1.72A19.12
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.
5QH5_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  75
VAL A  74
GLN A   4
0.85A23.63
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.
4A9K_B_TYLB2198_1
(CREB-BINDING PROTEIN)		Acetaminophen4 / 5
VAL A 110
LEU A  93
ILE A  60
VAL A   9
1.35A22.73
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.
2NYU_B_SAMB201_0
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		S-Adenosylmethionine5 / 12
ALA A  27
GLY A  21
LEU A  77
LEU A  28
LEU A   7
1.29A19.17
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.
3K9W_A_ACTA170_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		Acetic acid3 / 3
SER A  89
GLY A  90
THR A  92
1.30A26.97
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.
5LJC_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
LEU A  35
ALA A  31
LEU A  28
ILE A  60
LEU A  50
1.48A17.27
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.
5QHC_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  75
VAL A  74
GLN A   4
0.88A23.63
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.
1JHO_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY A  83
GLY A  90
LEU A  45
SER A  89
ARG A  88
1.75A16.67
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.
3W68_D_VIVD301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E6 / 12
LEU A  45
VAL A  15
ILE A  60
VAL A  95
LEU A  96
VAL A  97
1.77A19.23
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.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
SER A  89
THR A  92
GLY A  87
GLY A  83
ASP A  82
1.57A16.61
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.
3G1U_A_ADNA438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU A  77
ASN A  37
LEU A   5
LEU A   7
GLY A  41
1.75A15.46
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.
2XN3_A_ID8A1356_1
(THYROXINE-BINDING
GLOBULIN)		Mefenamic acid4 / 8
LEU A  96
LYS A  36
LEU A   7
ARG A  32
1.44A16.57
25.64
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.
2CEO_A_T44A1395_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 11
ALA A  79
LEU A   7
LEU A  35
LEU A  77
LEU A  96
1.39A16.98
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.
2W8Y_A_486A1000_1
(PROGESTERONE
RECEPTOR)		Mifepristone5 / 12
LEU A  77
LEU A  93
GLY A  94
LEU A   5
CYH A  40
1.63A16.17
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.
5A06_D_SORD1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		Sorbitol4 / 6
CYH A  40
GLU A  30
GLY A  21
GLY A  19
1.43A15.06
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.
3TBG_C_RTZC2_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 10
LEU A   5
VAL A 110
LEU A  77
VAL A  95
PHE A  20
1.42A16.04
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.
1L4N_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY A  83
GLY A  90
LEU A  45
SER A  89
ARG A  88
1.75A16.67
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.
5O96_B_SAMB501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 9
LEU A  96
PRO A  98
GLY A  19
LEU A  35
ALA A  31
1.33A23.05
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.
5QGJ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  75
VAL A  74
GLN A   4
0.85A23.63
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.
1JKH_A_EFZA999_1
(HIV-1 RT, A-CHAIN
HIV-1 RT, B-CHAIN)		Efavirenz5 / 11
VAL A  97
VAL A   9
GLY A  41
LEU A  53
GLU A  44
1.62A11.72
12.56
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.
1JHR_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY A  83
GLY A  90
LEU A  45
SER A  89
ARG A  88
1.76A16.67
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.
1FAP_A_RAPA108_2
(FK506-BINDING
PROTEIN
FRAP)		Sirolimus4 / 8
LEU A  42
ARG A  18
PHE A  20
GLY A  19
1.38A20.17
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.
1CMC_A_SAMA105_0
(MET REPRESSOR)		S-Adenosylmethionine5 / 10
GLY A  48
GLU A  44
ARG A 108
LEU A  42
LEU A  45
1.59A19.33
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.
6CZM_F_HISF402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 10
VAL A  58
LEU A  96
GLY A  38
LEU A  35
CYH A  40
1.45A18.41
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.
1Y4L_B_SVRB301_2
(PHOSPHOLIPASE A2
HOMOLOG 2)		Suramin5 / 11
LEU A  35
LEU A   7
VAL A  58
GLY A  19
LYS A  36
1.52A19.84
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.
1SN5_C_T3C601_1
(TRANSTHYRETIN)		Liothyronine4 / 6
LEU A 112
GLU A  76
LEU A   5
VAL A  58
1.07A23.88
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.
5JQ7_B_T0RB705_1
(ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN 1
ENVELOPE
GLYCOPROTEIN 2)		Toremifene5 / 7
ARG A 108
VAL A 110
LEU A 112
LEU A   7
LEU A  42
1.22A18.91
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.
1MJQ_C_SAMC199_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 10
GLU A  44
ARG A 108
LEU A  42
LEU A  45
GLY A  48
1.60A19.33
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.
5X80_C_SALC201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		Salicylic acid4 / 7
VAL A  95
VAL A  15
PRO A  98
GLY A  41
1.54A23.21
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.
2V3K_A_SAMA1254_0
(ESSENTIAL FOR
MITOTIC GROWTH 1)		S-Adenosylmethionine6 / 10
LEU A  28
PHE A  59
GLY A  21
LEU A  77
LEU A  96
ALA A  31
1.65A20.00
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.
4MXX_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Bosutinib5 / 12
ALA A 106
GLU A  46
TYR A 107
GLY A  41
LEU A  42
1.50A19.52
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		Riluzole5 / 10
ALA A  27
LEU A  28
VAL A  24
LEU A  77
VAL A  95
1.49A23.02
23.75
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.
6ECX_A_SAMA1301_0
(STIE PROTEIN)		S-Adenosylmethionine6 / 12
LEU A  77
LEU A  96
GLY A  87
GLY A  94
ILE A  91
SER A  89
1.76A16.61
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.
2IEO_A_017A402_2
(PROTEASE)		Darunavir6 / 12
LEU A  28
VAL A  95
GLY A  83
ILE A  84
VAL A  78
VAL A  58
1.60A23.77
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.
4IQQ_D_D16D402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
TYR A  86
LEU A  93
GLY A  94
PHE A  59
1.26A18.30
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.
6D8F_A_ACTA803_0
(UNCHARACTERIZED
PROTEIN)		Acetic acid3 / 3
GLU A  76
LEU A  77
ARG A  32
1.22A10.04
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.
4ZBQ_A_DIFA601_1
(SERUM ALBUMIN)		Diclofenac5 / 11
LEU A  96
VAL A  58
LEU A  45
GLY A  83
LEU A  53
1.28A12.55
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.
4KM2_A_TOPA202_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 12
ALA A  31
THR A  92
LEU A  45
VAL A  49
LEU A  50
1.23A23.56
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.
1FDU_D_ESTD352_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		Estradiol4 / 6
VAL A  97
GLY A  41
LEU A  42
GLU A  46
1.37A18.61
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.
3KU1_G_SAMG226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A  41
VAL A   9
PRO A 104
GLY A  94
ILE A  60
1.33A22.69
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.
5HWK_A_BEZA301_0
(GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE)		Benzoic Acid5 / 10
GLY A  87
GLY A  94
LEU A  45
LEU A  53
TYR A  57
1.65A20.00
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.
4ZJZ_A_BEZA1001_0
(BENZOATE-COENZYME A
LIGASE)		Benzoic Acid4 / 8
ALA A  27
PRO A  56
VAL A  58
GLY A  19
1.01A13.90
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.
4KCN_A_ACTA803_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		Acetic acid4 / 6
GLY A  87
ILE A  84
GLN A  85
VAL A  78
1.48A13.03
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.
1CQP_A_803A311_1
(ANTIGEN CD11A (P180))		Lovastatin5 / 10
LEU A  42
VAL A  95
ILE A  60
LEU A 112
LEU A  35
1.58A21.74
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.
3OU6_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
TYR A  86
GLY A  90
SER A  89
LEU A  93
ALA A  65
1.59A21.00
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.
2YY8_B_SAMB500_0
(UPF0106 PROTEIN
PH0461)		S-Adenosylmethionine5 / 11
LEU A  16
VAL A  17
GLY A  19
VAL A  97
GLU A  54
1.62A21.24
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.
1IE4_A_T44A128_1
(TRANSTHYRETIN)		Levothyroxine5 / 10
LEU A  96
LEU A   7
LEU A 112
GLU A  76
LEU A   5
1.54A26.95
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.
1JGS_A_SALA256_1
(MULTIPLE ANTIBIOTIC
RESISTANCE PROTEIN
MARR)		Salicylic acid4 / 7
VAL A  78
LEU A  28
LEU A  96
VAL A  75
1.24A22.76
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.
3A3Y_A_OBNA6000_1
(NA, K-ATPASE ALPHA
SUBUNIT)		Ouabain5 / 10
GLU A  80
PHE A  59
GLY A  94
VAL A   9
LEU A  53
1.78A9.08
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.
4DQH_B_017B101_1
(WILD-TYPE HIV-1
PROTEASE DIMER)		Darunavir5 / 11
LEU A  28
VAL A  95
GLY A  83
ILE A  84
VAL A  78
1.38A24.59
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.
6DH0_A_017A101_0
(PROTEASE)		Darunavir6 / 12
LEU A  28
VAL A  95
GLY A  83
ILE A  84
VAL A  78
VAL A  58
1.72A24.59
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.
5NOO_C_D16C402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 6
TYR A  86
LEU A  93
GLY A  94
PHE A  59
1.31A18.30
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.
3UG2_A_IREA1_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
LEU A  96
VAL A  58
ALA A  31
LEU A  35
GLY A  41
1.44A17.37
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.
4G1B_C_ECNC403_1
(FLAVOHEMOGLOBIN)		Econazole5 / 9
PHE A  59
GLN A  55
LEU A  53
VAL A  49
LEU A  45
1.54A14.14
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.
4MJW_A_ACTA603_0
(CHOLINE OXIDASE)		Acetic acid3 / 3
ARG A 113
HIS A   2
SER A  63
1.58A12.59
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.
1V8B_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
GLU A  80
GLU A  76
LEU A  96
1.23A13.30
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.
3MS9_B_STIB1_2
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 7
TYR A 107
VAL A  58
ILE A  60
ARG A  18
1.50A17.41
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.
6FEK_A_ADNA1104_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		Adenosine6 / 11
LEU A  50
GLY A  48
VAL A  49
VAL A  97
TYR A  57
GLY A  87
1.74A21.26
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.
4MJR_A_0LAA404_1
(DNA POLYMERASE III
SUBUNIT BETA)		Carprofen5 / 9
ARG A 108
LEU A  10
PRO A   8
VAL A  97
VAL A  15
1.75A20.49
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.
2VCV_F_ASDF1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione5 / 8
PHE A  20
LEU A   7
LEU A   5
LEU A  77
ALA A  31
1.68A20.54
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.
3NU9_A_478A401_2
(PROTEASE)		Amprenavir6 / 10
LEU A  28
VAL A  95
GLY A  83
ILE A  84
VAL A  78
VAL A  58
1.64A23.77
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.
5X24_A_LSNA502_1
(CYTOCHROME P450 2C9)		Losartan5 / 12
LEU A  50
VAL A  49
VAL A  43
GLY A  94
LEU A  28
1.44A15.08
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.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Memantine4 / 6
ASN A  37
GLU A  30
LEU A  35
PHE A  20
1.78A17.14
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.
5UAN_A_9CRA503_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ALA A  31
LEU A  28
ALA A  27
VAL A  75
LEU A   7
1.55A16.77
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.
5U63_A_ACTA405_0
(THIOREDOXIN
REDUCTASE)		Acetic acid3 / 3
GLY A  41
LEU A  10
HIS A  99
1.16A15.12
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.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
VAL A 110
GLU A  76
CYH A  40
GLY A  41
LEU A  96
1.37A18.73
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.
4YB6_A_HISA302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		L-Histidine5 / 10
VAL A  75
GLU A  76
VAL A 110
LEU A  66
LEU A 112
1.66A19.06
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.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
SER A  89
THR A  92
GLY A  87
GLY A  83
ASP A  82
1.61A16.61
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.
4PO0_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen4 / 8
ALA A  31
GLY A  38
LEU A  35
LEU A  77
1.26A12.41
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.
5QHG_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  75
VAL A  74
GLN A   4
0.86A23.63
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		Ergocalciferol3 / 3
LEU A 112
GLU A  76
ILE A  60
0.92A15.02
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.
3KU1_H_SAMH226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A  41
VAL A   9
PRO A 104
GLY A  94
ILE A  60
1.35A22.69
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.
3W68_C_VIVC301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E6 / 12
LEU A  45
VAL A  15
ILE A  60
VAL A  95
LEU A  96
VAL A  97
1.79A19.23
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.
5QH2_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  75
VAL A  74
GLN A   4
0.85A23.63
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.
4F4D_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 4
LEU A   7
PRO A   8
LEU A  42
ILE A  60
1.51A18.45
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.
5QGW_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  75
VAL A  74
GLN A   4
0.85A23.63
None