PDB ID: 3to2


Macromolecule:
MD3-C9 PEPTIDE DERIVED
FROM MEMBRANE
GLYCOPROTEIN
MHC CLASS I ANTIGEN

Source Organism:
Homo sapiens
SARS-COV TJF

Gene names:
HLA

UniProt ID:
Q53Z42,Q692E0

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '3to2'

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.
2UVN_A_ECNA1409_1
(CYTOCHROME P450 130)		Econazole5 / 12
LEU B  65
PRO A 235
THR A 240
GLY A 239
THR A  31
1.66A10.87
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.
1FDT_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)		Estradiol5 / 11
SER A   4
VAL A  28
TYR B  63
SER B  55
PHE A   8
1.77A22.71
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.
2WEY_A_EV1A1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)		Papaverine5 / 12
LEU A 179
VAL A  28
ILE A  52
TYR A  59
GLU A  53
1.42A18.72
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.
4S0V_A_SUVA2001_1
(HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE)		Suvorexant5 / 12
THR A  94
VAL A  12
GLN A  96
ILE B  35
HIS B  84
1.68A16.70
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.
4WQ4_A_ACTA403_0
(TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE)		Acetic acid3 / 3
VAL A 152
LEU A 156
VAL C   5
0.57A22.70
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.
2Y00_A_Y00A601_1
(BETA-1 ADRENERGIC
RECEPTOR)		Dobutamine5 / 12
LEU C   6
VAL C   5
VAL A  25
PHE A  33
TYR A  99
1.62A3.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHR_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
SER A 207
TYR B  10
SER B  20
ASP A 238
1.31A19.57
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.
3OHT_A_1N1A1000_2
(P38A)		Dasatinib3 / 3
GLU A  63
LEU C   1
LEU A 172
1.05A21.05
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.
4QB9_A_PARA500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		Paromomycin5 / 10
SER A  11
PHE A  22
THR A  94
SER B  33
TYR A 116
1.54A20.84
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.
6DEB_B_MTXB303_1
(BIFUNCTIONAL PROTEIN
FOLD)		Methotrexate4 / 5
TYR A   7
LYS A  66
GLY A 175
ILE A  52
1.72A20.00
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.
6QXS_D_FOZD403_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
LEU C   1
LEU A 179
GLY A  26
ILE A  52
ALA A  49
1.23A2.26
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.
5OHH_B_ACTB311_0
(CARBONIC ANHYDRASE
13)		Acetic acid4 / 6
HIS A 114
VAL A 152
LEU C   6
TRP A 147
1.61A24.67
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.
3UBO_B_ADNB353_1
(ADENOSINE KINASE)		Adenosine5 / 12
GLY A  16
GLY A  18
SER A  92
LEU A  78
GLU A  19
1.42A20.61
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.
4IG3_A_T27A601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
PRO A 235
VAL B  82
VAL B   9
TYR B  66
PRO B   5
1.47A19.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FDU_D_ESTD352_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		Estradiol4 / 6
SER A   2
VAL A 103
GLY A 104
GLU A 166
1.38A22.71
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.
1Z9H_A_IMNA379_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		Indomethacin5 / 12
TYR B  63
VAL B  49
TYR B  67
VAL B  37
LEU B  39
1.51A15.19
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.
3UWL_B_FOZB316_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
LEU C   1
LEU A 179
GLY A  26
ILE A  52
ALA A  49
1.28A2.26
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.
5H5F_A_SAMA301_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
SFM1)		S-Adenosylmethionine5 / 12
PRO A  50
PHE A  33
GLY A 239
ASP A 238
ARG A 181
1.55A22.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		Theophylline4 / 8
LEU B  23
GLU B  77
LEU B  40
ILE B  92
1.43A10.60
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.
4KTT_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
PRO B  32
SER A  11
SER A  38
ASP B  34
1.70A12.31
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.
2OXT_C_SAMC300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		S-Adenosylmethionine4 / 4
SER B  28
GLY B  29
HIS B  51
ASP A  39
1.65A14.12
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.
2WA2_B_SAMB1267_1
(NON-STRUCTURAL
PROTEIN 5)		S-Adenosylmethionine3 / 3
SER B  57
HIS B  51
ASP A  39
1.06A14.91
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.
5FSA_B_X2NB590_1
(CYP51 VARIANT1)		Posaconazole5 / 12
TYR A   7
GLY A  26
GLN A  32
LEU A 172
GLY A   1
1.54A21.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZLC_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		Calcitriol4 / 5
LEU C   6
ILE A  23
ARG A  21
TYR A   7
1.77A3.70
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.
1GTI_F_CCSF47_0
(GLUTATHIONE
S-TRANSFERASE)		Carbocisteine4 / 5
LEU A 160
GLY A 162
LYS C   1
TYR A 159
1.10A22.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTI_D_CCSD47_0
(GLUTATHIONE
S-TRANSFERASE)		Carbocisteine4 / 7
LEU A 160
GLY A 162
LYS C   1
TYR A 159
1.10A22.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_B_NILB600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib5 / 9
VAL B  85
VAL A  12
ILE B  35
PHE A   8
VAL A  95
1.57A17.71
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.
4Z69_A_DIFA1006_1
(SERUM ALBUMIN)		Diclofenac4 / 7
HIS A   3
LEU A 168
GLY A 175
LYS A 176
1.48A18.10
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.
4K8P_A_ADNA401_1
(SUGAR KINASE)		Adenosine5 / 12
GLY A  16
GLY A  18
SER A  92
LEU A  78
GLU A  19
1.46A21.27
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.
5V5Z_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole3 / 3
GLY A  91
THR B   4
PRO B  32
0.74A19.54
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.
4IK7_A_IMNA201_1
(TRANSTHYRETIN)		Indomethacin4 / 7
THR A  80
ALA C   8
THR A  73
VAL A  76
1.39A18.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		Adenosine5 / 12
SER A  13
HIS A  93
TYR A 118
VAL A  76
GLY A  79
1.75A21.27
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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)		Amsacrine4 / 7
ARG A 219
GLY A 221
GLU A 222
GLN A 255
1.19A15.03
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.
3SXR_B_1N1B2_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		Dasatinib5 / 12
VAL A  95
GLY A  79
LEU A  78
SER A  11
PHE A   9
1.22A20.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6D8P_A_ACTA816_0
(UNCHARACTERIZED
PROTEIN)		Acetic acid3 / 3
ARG B  81
ARG B  45
ASP B  38
1.66A8.61
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.
2AZQ_A_PCFA954_0
(CATECHOL
1,2-DIOXYGENASE)		Colfosceril palmitate5 / 9
GLU A 166
TYR A 171
LEU A 172
GLU A  55
LEU C   1
1.66A22.55
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.
2ZVJ_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 6
SER A 207
TYR B  10
SER B  20
ASP A 238
1.46A20.76
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.
5JS1_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol3 / 3
VAL A  67
ALA C   2
PHE A   9
1.45A15.73
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.
5I3B_A_HQEA303_1
(TYROSINASE)		Hydroquinone4 / 7
HIS A  70
HIS A  74
VAL A  67
ALA A  24
1.49A20.56
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.
5H1E_A_VDXA501_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
ARG A  21
SER A  38
VAL A  67
HIS A  70
HIS A  74
1.75A23.45
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.
1ZLQ_B_EDTB1511_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		Edetic Acid4 / 8
TYR A 116
ARG A  97
TYR A  84
THR A 142
1.67A20.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N2X_B_SAMB402_1
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		S-Adenosylmethionine4 / 5
ASP B  53
VAL A  25
SER B  55
ASP A  39
1.79A13.62
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.
6CP4_A_CAMA422_0
(CYTOCHROME P450CAM)		Camphor4 / 8
LEU B  64
THR A  10
VAL A  12
ASP B  34
1.14A12.86
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.
5ZRF_D_EVPD101_1
()		Etoposide4 / 5
GLY A 104
ASP A 106
ARG A 169
GLN A 180
1.60A15.03
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.
3RUK_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Abiraterone5 / 11
ALA A 150
TYR A 123
ILE A 124
ALA C   8
THR A  73
1.46A19.67
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.
4A84_A_DXCA1161_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		Deoxycholic Acid5 / 12
PHE A 241
LEU B  39
TYR B  66
VAL B  49
SER B  52
1.72A20.28
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.
2QAK_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ARG A  97
THR A  80
VAL C   9
1.63A14.18
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.
5ND7_B_TA1B601_2
(TUBULIN BETA-2B
CHAIN)		Paclitaxel3 / 3
THR A 240
PRO A  50
ARG A  48
1.19A20.94
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.
1FM4_A_DXCA1001_0
(MAJOR POLLEN
ALLERGEN BET V 1-L)		Deoxycholic Acid5 / 12
PHE A  36
THR A  31
ILE A  52
TYR A 171
ALA C   2
1.63A20.58
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Nintedanib6 / 12
LEU A 130
GLY A 112
VAL C   5
VAL A 152
GLY A 162
CYH C   3
1.71A22.69
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.
4JKU_B_ADNB500_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
GLY A  16
GLY A  18
SER A  92
LEU A  78
GLU A  19
1.45A21.27
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.
3P2K_A_SAMA6735_1
(16S RRNA METHYLASE)		S-Adenosylmethionine3 / 3
ASP A  30
GLU A 232
SER A   2
1.10A21.09
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.
5Q1S_A_AWYA1103_0
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		Agomelatine4 / 6
LYS A  66
VAL A  34
ILE A  52
TYR A   7
1.77A20.22
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.
4K9I_A_ADNA401_1
(SUGAR KINASE)		Adenosine5 / 12
GLY A  16
GLY A  18
SER A  92
LEU A  78
GLU A  19
1.46A21.27
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.
6B1E_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)		Vildagliptin5 / 12
TYR A  85
TYR A  84
TYR A 116
TYR A 123
VAL A  95
1.74A18.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V4T_H_ACTH503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid4 / 7
ALA A  49
TRP A  51
ARG A 181
GLY A 175
1.64A22.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GL0_C_ADNC903_1
(CONSERVED
HYPOTHETICAL PROTEIN)		Adenosine5 / 12
ILE A  52
ALA A  24
TYR A 171
PHE A  33
SER B  55
1.48A21.30
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		Dolutegravir4 / 7
ASP A 227
PRO A 250
GLN A 253
GLU A 198
1.48A20.71
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.
4K8T_A_ADNA401_1
(SUGAR KINASE)		Adenosine5 / 12
GLY A  16
GLY A  18
SER A  92
LEU A  78
GLU A  19
1.45A21.27
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.
5MWU_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		Edetic Acid4 / 8
TYR A 116
ARG A  97
TYR A  84
THR A 142
1.68A20.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I9G_A_SAMA301_1
(HYPOTHETICAL PROTEIN
RV2118C)		S-Adenosylmethionine3 / 3
GLU A 264
HIS A 263
ASP A  30
1.57A22.04
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.
2ZAX_A_CAMA422_0
(CYTOCHROME P450-CAM)		Camphor4 / 7
LEU B  64
THR A  10
VAL A  12
ASP B  34
1.14A13.80
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.
2YDO_A_ADNA400_1
(ADENOSINE RECEPTOR
A2A)		Adenosine5 / 12
THR A  94
PHE B  56
LEU B  54
SER B  33
HIS B  31
1.73A19.58
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.
3L2V_A_RLTA397_1
(INTEGRASE)		Raltegravir4 / 7
ASP B  34
GLN A  96
TYR A 118
GLN B   2
1.58A14.43
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.
3BGD_A_PM6A301_1
(THIOPURINE
S-METHYLTRANSFERASE)		Mercaptopurine4 / 6
GLY A 237
ALA A 236
LEU B  65
PRO A 235
1.45A21.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQE_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		Agmatine5 / 12
ALA C   2
TRP A 167
GLU A  55
TYR A 171
THR A 163
1.75A8.65
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.
2P02_A_SAMA2_0
(S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
PRO B  32
SER A  11
SER A  38
ASP B  34
1.52A12.31
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.
3OYA_A_RLTA398_1
(PFV INTEGRASE)		Raltegravir4 / 8
ASP A 227
GLN A 224
PRO A 250
GLU A 198
1.34A20.71
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.
3W37_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		Acarbose4 / 5
PHE C   4
ILE A  52
TRP A  60
TRP A 167
1.69A1.14
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.
2Y01_B_Y00B601_1
(BETA-1 ADRENERGIC
RECEPTOR)		Dobutamine5 / 12
LEU C   6
VAL A  12
SER B  33
PHE B  56
TYR A 116
1.56A3.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XI3_D_29SD601_1
(ESTROGEN RECEPTOR)		Bazedoxifene5 / 12
ALA A 205
LEU A 206
LEU A 230
HIS A 260
LEU A 272
1.70A20.21
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.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
LEU C   1
LEU A 179
GLY A  26
ILE A  52
ALA A  49
1.29A2.26
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.
4JLT_A_8PRA505_1
(CYTOCHROME P450 2B4)		Paroxetine4 / 8
ILE A  52
ALA C   2
VAL A  34
VAL A  28
1.11A19.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FWD_A_BO2A801_1
(TTC1975 PEPTIDASE)		Bortezomib5 / 9
VAL C   9
VAL A  95
GLY A  83
ALA A 139
LYS A 146
1.66A1.44
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.
5SYE_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
GLU B  50
VAL B  49
ASP B  53
HIS B  51
ARG B  45
1.61A12.68
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.
1MXD_A_ACRA734_1
(ALPHA AMYLASE)		Acarbose4 / 6
ASN A 174
TRP A  51
TYR A 171
TRP A  60
1.76A21.96
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		Ketoconazole5 / 11
PHE C   4
THR A  73
VAL C   9
ALA A 125
LEU A 156
1.23A8.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QX3_A_EVPA1_1
(DNA TOPOISOMERASE
2-BETA)		Etoposide4 / 5
GLY A  16
ARG A  14
GLN A  87
MET B   0
1.46A15.03
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.
3ADX_A_IMNA2_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin5 / 12
PHE B  56
GLN A  96
PHE A   9
HIS A  74
TYR A 116
1.61A18.08
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.
3L2V_A_RLTA397_1
(INTEGRASE)		Raltegravir4 / 7
ASP A 227
GLN A 224
PRO A 250
GLU A 198
1.41A20.71
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.
4OGR_A_ADNA401_1
(CYCLIN-DEPENDENT
KINASE 9)		Adenosine4 / 8
ILE A  52
GLY A  26
ALA A  49
LEU A 179
0.99A19.10
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.
5C0O_G_SAMG301_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		S-Adenosylmethionine3 / 3
GLU A 264
HIS A 263
ASP A  30
1.58A21.40
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.
4MWR_A_ZMRA513_2
(NEURAMINIDASE)		Zanamivir4 / 5
LEU C   6
ASP A  77
TRP A 147
ILE A 124
1.80A2.36
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.
4K93_A_ADNA401_1
(SUGAR KINASE)		Adenosine5 / 12
GLY A  16
GLY A  18
SER A  92
LEU A  78
GLU A  19
1.46A21.27
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.
5UMW_B_RBFB201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		Riboflavin4 / 7
VAL A 165
ARG A 157
GLU A 161
LEU A 126
1.75A21.45
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.
3KO0_M_TFPM201_1
(PROTEIN S100-A4)		Trifluoperazine4 / 7
GLY A 100
PHE B  62
PHE A   8
GLY A  26
1.32A16.97
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.
4RDX_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		L-Histidine4 / 7
GLU A  63
ARG A  97
TYR A  99
TYR A   7
1.35A21.45
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.
3W2T_A_LF7A801_1
(DIPEPTIDYL PEPTIDASE
4)		Vildagliptin5 / 12
TYR A  85
TYR A  84
TYR A 116
TYR A 123
VAL A  95
1.74A18.14
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.
2WX2_A_TPFA1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Fluconazole4 / 7
ALA C   7
ALA C   8
THR A  80
LEU A  81
1.38A4.02
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.
1KIJ_B_NOVB444_2
(DNA GYRASE SUBUNIT B)		Novobiocin3 / 3
ASP A 119
PHE B  62
VAL A  12
1.13A21.32
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.
5Y2T_A_8LXA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Lobeglitazone3 / 3
SER A  13
HIS A  93
TYR A 118
1.32A19.48
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.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		Acarbose5 / 12
ASP B  34
ASN B  83
ASP A  37
ILE A  23
HIS B  51
1.66A7.49
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.
4K9C_A_ADNA401_1
(SUGAR KINASE)		Adenosine5 / 12
GLY A  16
GLY A  18
SER A  92
LEU A  78
GLU A  19
1.45A21.27
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.
1NBI_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A  62
THR A  64
ALA C   2
TRP A 167
GLY A  56
1.80A24.64
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.
2M2O_B_DHIB24_0
(INSULIN B CHAIN)		L-Histidine4 / 6
PHE A 208
PRO A 185
LYS A 186
THR A 187
1.76A10.46
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.
1FM6_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
GLN A  96
ALA A 117
VAL A 152
CYH C   3
LEU C   6
1.48A20.27
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.
6B1E_A_LF7A801_1
(DIPEPTIDYL PEPTIDASE
4)		Vildagliptin5 / 11
TYR A  85
TYR A  84
TYR A 116
TYR A 123
VAL A  95
1.75A18.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RIA_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
GLY A 265
THR A 182
LEU A 215
GLN A 262
ILE A 213
1.48A20.96
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.
5A1I_A_ADNA407_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		Adenosine4 / 8
PRO B  32
SER A  11
SER A  38
ASP B  34
1.55A12.56
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.
5FHQ_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
VAL A  25
TYR A  27
ALA C   7
HIS A  74
ASP A  77
1.51A19.79
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.
3CE6_D_ADND500_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
GLN A 141
THR A 143
HIS A 114
LEU A 126
1.47A18.04
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.
2C6N_B_LPRB705_2
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		Lisinopril3 / 3
ALA A  69
THR A  73
PHE A  36
1.47A18.14
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.
2QHF_A_ACTA509_0
(CHORISMATE SYNTHASE)		Acetic acid3 / 3
ARG B  81
GLN B  89
PRO B  90
1.08A12.04
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.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		Gabapentin5 / 11
PHE A   9
TYR A  59
GLY A  62
THR A  64
TYR A   7
1.68A22.03
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.
4NJT_D_017D101_2
(PROTEASE)		Darunavir5 / 9
LEU A 270
GLY A 265
ALA A 184
ASP A 183
THR A 187
1.67A14.23
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.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Vemurafenib5 / 12
ALA A 153
LEU A 130
TRP A 133
GLY A 112
PHE A 109
1.48A20.50
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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		Pentamidine5 / 11
HIS A 114
LEU A 156
ASP A 102
GLN A 115
GLY A 112
1.68A20.40
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.
3JQA_A_DX4A270_0
(PTERIDINE REDUCTASE
1)		Tioguanine4 / 6
ARG A 181
SER A 207
PHE A 208
PRO A 210
1.77A20.00
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.
1MX1_D_THAD4_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 12
GLY A 175
VAL A  28
LEU A 179
LEU A 172
ILE A  52
1.38A17.60
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.
5G5G_B_ACTB1321_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT)		Acetic acid3 / 3
THR A 182
ASP A 183
ALA A 184
0.98A22.51
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)		Teniposide5 / 12
LEU A 206
ALA A 246
TYR B  10
HIS B  13
GLY A 237
1.59A18.10
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.
4KFB_A_T27A607_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H,
EXORIBONUCLEA P66 RT)		Rilpivirine5 / 12
PRO A 235
VAL B  82
VAL B   9
TYR B  66
PRO B   5
1.42A19.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I6X_A_8PRA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Paroxetine5 / 10
TYR A  84
ASP A  77
ALA A 135
ILE A 124
TYR A 116
0.83A16.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JTR_A_IBPA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		Ibuprofen4 / 8
TYR A 159
VAL C   5
LEU A 130
LEU A 126
1.35A20.28
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.
4G1Q_A_T27A601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
PRO A 235
VAL B  82
VAL B   9
TYR B  66
PRO B   5
1.43A19.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VC0_A_RITA602_1
(CYTOCHROME P450 3A4)		Ritonavir5 / 12
ASP A 102
ARG A   6
LEU C   6
ILE A 124
ALA A 125
1.31A22.06
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.
5UC3_A_486A801_1
(GLUCOCORTICOID
RECEPTOR)		Mifepristone5 / 12
ASN A 174
GLY A 175
PHE A  33
MET A   5
LEU A 168
1.43A20.88
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.
5KB6_A_ADNA401_1
(ADENOSINE KINASE)		Adenosine5 / 12
THR A 178
GLY A 175
VAL A  28
ALA A  49
ILE A  52
1.25A22.40
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.
6QYA_B_FOZB401_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
LEU C   1
LEU A 179
GLY A  26
ILE A  52
ALA A  49
1.32A2.26
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.
5O4Y_F_CCSF14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2)		Carbocisteine4 / 6
PHE B  62
SER B  61
ARG B   3
GLY B  29
1.62A11.54
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.
2CDQ_B_SAMB1500_0
(ASPARTOKINASE)		S-Adenosylmethionine4 / 7
SER A  38
ASP A  39
ARG A  48
GLU A  46
1.54A20.27
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.
5KKZ_E_ASCE1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		Vitamin C4 / 7
HIS A  70
VAL C   5
TYR A  99
ARG A  97
1.44A22.07
19.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJF_B_ADNB2002_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		Adenosine4 / 6
ARG A 170
TRP A  51
GLU A  53
PRO A  47
1.63A22.07
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.
5ZVG_A_SAMA401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		S-Adenosylmethionine5 / 12
ALA A  49
GLY A 175
ASP B  53
ARG A  35
PRO A  47
1.71A20.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FBN_B_SAMB401_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
PRO B  32
SER A  11
SER A  38
ASP B  34
1.50A12.56
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.
2WA2_A_SAMA1248_0
(NON-STRUCTURAL
PROTEIN 5)		S-Adenosylmethionine5 / 12
GLY A 104
GLY A 100
GLY A 112
LEU A 156
GLU A 161
1.35A19.54
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		Salmeterol3 / 3
ASP A  39
SER A  71
SER A  11
0.84A21.49
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.
6AWN_A_8PRA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Paroxetine5 / 11
TYR A  84
ASP A  77
ALA A 135
ILE A 124
TYR A 116
0.72A16.43
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.
6D9H_R_ADNR400_1
(CHIMERA PROTEIN OF
MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4 AND
ADENOSINE RECEPTOR
A1)		Adenosine5 / 10
VAL A  28
THR A  31
GLU A 173
ASN A 174
THR A 178
1.76A18.56
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.
5Z12_C_9CRC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
GLN A  96
ALA A 117
VAL A 152
CYH C   3
LEU C   6
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		Diazoxide4 / 7
TYR A 118
VAL C   9
ILE A 124
ALA A 136
1.15A17.68
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.
5N0O_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
ALA A 211
GLN A 242
THR A 233
1.19A19.90
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.
3RI5_A_IVMA349_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 13
ILE B   7
PRO B   5
THR B  86
ASN B  83
ILE B  92
1.56A16.94
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.
1NT2_A_SAMA301_1
(FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN)		S-Adenosylmethionine3 / 3
THR A 163
GLU A 161
ASP A 129
1.26A20.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WUZ_A_TPFA1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE
, PUTATIVE)		Fluconazole5 / 10
ALA A  49
THR A  31
LEU A 179
MET A   5
VAL A  28
1.34A19.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_B_CVIB301_1
(REGULATORY PROTEIN
TETR)		Gentian Violet4 / 8
GLY A   1
ARG A 111
ASP A 102
ASP A 106
1.57A22.91
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.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		Donepezil5 / 11
TYR A 171
GLU A 166
TYR A 159
TYR A   7
GLY A 162
1.77A18.86
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.
4LC4_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
GLY A  16
GLY A  18
SER A  92
LEU A  78
GLU A  19
1.45A21.27
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.
6CNK_A_NCTA405_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4)		Nicotine4 / 6
TYR A  59
TRP A 167
TYR A   7
THR A 163
1.70A21.72
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.
5HNZ_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL A  25
ASP B  53
LEU A 179
ASP A  30
PRO A  47
1.70A20.94
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.
6C71_B_NCTB501_1
(AMINE OXIDASE)		Nicotine4 / 8
LEU A 179
GLU A 177
THR A  31
TRP A  51
1.62A20.85
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.
6CDU_A_EY4A502_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		Alfaxalone4 / 7
ALA A 199
THR A 200
GLN A 255
TRP A 274
1.23A20.72
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.
5L8D_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		Edetic Acid4 / 8
TYR A 116
ARG A  97
TYR A  84
THR A 142
1.68A20.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIQ_B_HFGB1002_1
(PROLYL-TRNA
SYNTHETASE (PRORS))		Halofuginone3 / 3
THR A 182
GLU A 264
HIS A   3
1.08A19.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		L-Cysteine4 / 8
ALA A 246
HIS A 188
ARG A 202
HIS A 192
1.69A19.52
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Ketoconazole5 / 12
TYR A  85
GLY A 120
ALA A 117
ILE A 124
MET A 138
1.55A22.32
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.
3Q5R_A_KANA2002_1
(MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR)		Kanamycin5 / 11
TYR A 159
ILE A  52
TYR A   7
TYR A  59
GLU A  63
1.38A21.50
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.
4DC3_A_ADNA401_2
(ADENOSINE KINASE)		Adenosine4 / 4
LEU A 266
ILE A 213
GLY A 265
PHE A 208
1.23A22.51
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.
1PK2_A_ACAA91_1
(TISSUE-TYPE
PLASMINOGEN
ACTIVATOR)		Aminocaproic Acid4 / 8
VAL C   5
TRP A 133
HIS A 114
LEU A 160
1.43A9.23
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.
4PFJ_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 7
THR A 143
THR A  73
HIS A  74
LEU A  78
1.53A21.23
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.
2OXT_B_SAMB300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		S-Adenosylmethionine4 / 5
SER B  28
GLY B  29
HIS B  51
ASP A  39
1.63A14.12
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.
1XIU_A_9CRA201_1
(RXR-LIKE PROTEIN)		Alitretinoin5 / 12
GLN A  96
ALA A 117
VAL A 152
CYH C   3
LEU C   6
1.56A21.51
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.
2QBL_A_CAMA517_0
(CYTOCHROME P450-CAM)		Camphor4 / 7
LEU B  23
VAL B   9
VAL B  37
ASP B  38
1.44A13.80
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.
5EYP_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Colchicine3 / 3
SER A 132
ALA A 153
VAL A 152
0.91A19.16
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.
4R38_A_RBFA201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 8
THR A 178
ILE A  52
ASN A 174
LEU A 168
PHE A  33
1.51A21.54
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.
3OYA_A_RLTA398_1
(PFV INTEGRASE)		Raltegravir4 / 8
ASP B  34
GLN A  96
TYR A 118
GLN B   2
1.54A14.43
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.
4NQA_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 11
GLN A  96
ALA A 117
VAL A 152
CYH C   3
LEU C   6
1.45A20.53
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.
4IFY_A_T27A601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
PRO A 235
VAL B  82
VAL B   9
TYR B  66
PRO B   5
1.43A19.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQE_A_AG2A506_1
(HOMOSPERMIDINE
SYNTHASE)		Agmatine4 / 6
ARG A   6
ASP A 102
VAL A  28
ASP A  29
1.77A20.25
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.
1R30_B_SAMB501_0
(BIOTIN SYNTHASE)		S-Adenosylmethionine5 / 12
THR A 182
GLY A 265
HIS A 263
LEU A 110
VAL A 103
1.53A20.16
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		Creatine4 / 8
HIS A   3
ASP A  29
TYR A 171
TRP A  51
1.52A21.05
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.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 12
LEU C   1
LEU A 179
GLY A  26
ILE A  52
ALA A  49
1.23A2.26
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.
1UYU_A_CAMA1416_0
(CYTOCHROME P450-CAM)		Camphor4 / 8
LEU B  64
THR A  10
VAL A  12
ASP B  34
1.12A13.59
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.
4QZT_C_RTLC201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
ILE A 124
ALA C   7
GLN A 155
ARG A  97
LEU A 126
1.73A19.77
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.
6AWT_D_BEZD202_0
(PR 10 PROTEIN)		Benzoic Acid3 / 3
PHE B  70
ASP B  76
LYS B  41
1.39A22.64
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.
2BR4_A_SAMA301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine3 / 3
LYS B  19
ASP A 238
ASP A 183
1.47A18.45
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.
2YA7_A_ZMRA1776_2
(NEURAMINIDASE A)		Zanamivir4 / 6
ASP A  39
ILE A  23
LEU B  54
TYR B  66
1.62A20.37
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.
4P6S_A_DAHA305_1
(TYROSINASE)		Levodopa4 / 7
HIS A  70
HIS A  74
VAL A  67
ALA A  24
1.50A20.56
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.
1X70_B_715B801_1
(DIPEPTIDYL PEPTIDASE
IV)		Sitagliptin5 / 12
SER B  33
VAL C   9
TYR A 116
TYR A 118
HIS A  74
1.78A8.93
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.
2ZIF_B_SAMB298_1
(PUTATIVE
MODIFICATION
METHYLASE)		S-Adenosylmethionine3 / 3
ASP A 129
THR A 163
GLU A 161
0.85A21.27
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.
2BXG_B_IBPB2002_1
(SERUM ALBUMIN)		Ibuprofen5 / 10
LEU A 126
LEU A 156
ALA A 153
LEU C   6
VAL C   5
1.23A18.10
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.
1XP0_A_VDNA201_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Vardenafil5 / 10
ALA A 140
ILE A 124
VAL C   9
ALA C   8
LEU C   6
1.57A20.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y00_B_Y00B601_1
(BETA-1 ADRENERGIC
RECEPTOR)		Dobutamine5 / 12
LEU C   6
VAL A  12
SER B  33
PHE B  56
TYR A 116
1.61A3.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NDN_A_SAMA407_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
PRO B  32
SER A  11
SER A  38
ASP B  34
1.61A12.56
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		Cyproheptadine4 / 5
TYR A 116
GLY A  79
TYR A 123
TYR A  84
1.07A21.21
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.
4BLV_A_SAMA1281_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		S-Adenosylmethionine4 / 6
SER A   4
GLU A 264
ASP A 183
ASP A  30
1.57A21.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZV2_A_LEVA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		Lenvatinib3 / 3
LYS A 121
LEU A  81
ASP A 137
1.68A21.20
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		Dolutegravir4 / 8
ASP A 227
PRO A 250
GLN A 253
GLU A 198
1.39A20.71
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)		Bifonazole5 / 8
ARG B  81
LEU B  40
LEU B  23
VAL B   9
VAL B  82
1.57A11.97
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.
1O76_B_CAMB1420_0
(CYTOCHROME P450-CAM)		Camphor4 / 8
LEU B  64
THR A  10
VAL A  12
ASP B  34
0.99A13.59
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.
6F3M_A_ADNA502_2
(-)		Adenosine4 / 4
GLN A  72
THR A  73
THR A  10
LEU A  78
1.51A20.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJG_A_ADNA1501_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		Adenosine4 / 7
ARG A 170
TRP A  51
GLU A  53
PRO A  47
1.60A22.07
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.
5KB6_B_ADNB401_1
(ADENOSINE KINASE)		Adenosine5 / 12
THR A 178
GLY A 175
VAL A  28
ALA A  49
ILE A  52
1.22A22.40
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.
3LP9_D_SPMD230_1
(LS-24)		Spermine3 / 3
GLU A  55
GLU A 173
ASN A 174
1.19A20.14
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.
2Y04_B_68HB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		Salbutamol5 / 12
THR A  10
VAL A  12
PHE B  62
SER A  92
TYR A 116
1.62A22.02
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.
4XE5_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Ouabain4 / 6
PRO A  50
VAL A  28
THR A 178
ARG B  12
1.49A13.44
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		Amsacrine4 / 6
ARG A 219
GLY A 221
GLU A 222
GLN A 255
1.20A15.03
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.
2VQY_A_PARA1201_2
(AAC(6')-IB)		Paromomycin3 / 3
TRP A 133
GLN A 141
TRP B  60
1.47A21.58
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.
5KOX_A_RFPA502_2
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		Rifampicin3 / 3
VAL C   9
ARG A  21
PRO A  20
1.34A4.55
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.
3PEO_F_CU9F301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Metocurine4 / 7
TYR A 116
TRP A 147
TYR A  99
CYH C   3
1.79A20.86
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.
2BXE_A_1FLA2002_1
(SERUM ALBUMIN)		Diflunisal5 / 10
LEU A 126
LEU A 156
ALA A 153
LEU C   6
VAL C   5
1.11A18.10
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.
3COT_A_STRA1501_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		Progesterone4 / 7
TYR A 159
GLU A  63
TYR A 171
TRP A  51
1.56A20.72
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.
1GAH_A_ACRA497_2
(GLUCOAMYLASE-471)		Acarbose4 / 6
ALA A 125
SER B  55
LEU A 126
TRP A 147
1.71A23.26
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.
5HHJ_A_GLYA403_0
(RETRON-TYPE REVERSE
TRANSCRIPTASE)		Glycine4 / 4
LEU A 126
LEU A 160
GLY A 112
GLU A 128
1.60A21.39
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.
2VDY_A_HCYA1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		Hydrocortisone5 / 12
THR A  31
ARG A 170
ILE A  52
ASN A 174
PHE A  33
1.52A19.62
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.
4LBX_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
GLY A  16
GLY A  18
SER A  92
LEU A  78
GLU A  19
1.47A21.27
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.
5U63_A_ACTA406_0
(THIOREDOXIN
REDUCTASE)		Acetic acid3 / 3
HIS B  51
SER B  52
ARG A  35
1.24A19.09
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.
2PRG_A_BRLA1_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone5 / 12
PHE B  56
GLN A  96
SER A  11
HIS A  74
TYR A 116
1.71A18.22
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.
3CE6_D_ADND500_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
LEU C   1
THR A 163
HIS A  70
LEU C   6
1.78A10.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		Dolutegravir4 / 8
ASP A 227
PRO A 250
GLN A 253
GLU A 198
1.44A20.71
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.
4PWD_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Nevirapine4 / 8
VAL B  27
TYR B  66
LEU B  65
TYR B  10
1.34A10.69
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.
3OU7_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 160
TYR A 171
ALA C   2
GLY A 100
MET A   5
1.68A22.83
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.
2NMZ_B_ROCB401_2
(PROTEASE)		Saquinavir3 / 3
ARG A  75
VAL C   9
THR A  80
1.12A13.87
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.
4XTA_B_DIFB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Diclofenac4 / 8
ILE B   7
SER B  61
LEU B  54
ILE B  35
1.09A18.32
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.
2Y05_A_RALA801_1
(PROSTAGLANDIN
REDUCTASE 1)		Raloxifene4 / 8
VAL A  76
VAL A  95
TYR A 118
VAL C   9
1.28A21.88
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.
2OBV_A_SAMA501_0
(S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1)		S-Adenosylmethionine4 / 8
HIS B  31
ASP A 119
SER A  92
SER A  13
1.65A11.78
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.
6B89_A_NOVA403_2
(LIPOPOLYSACCHARIDE
EXPORT SYSTEM
ATP-BINDING PROTEIN
LPTB)		Novobiocin4 / 6
PHE C   4
LEU C   6
ALA A  69
GLN A 155
1.49A5.00
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.
5I3A_A_HQEA303_1
(TYROSINASE)		Hydroquinone4 / 7
HIS A  70
HIS A  74
VAL A  67
ALA A  24
1.48A20.56
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.
6FCD_A_ADNA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		Adenosine4 / 8
PRO B  32
SER A  11
SER A  38
ASP B  34
1.58A12.56
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		Riluzole5 / 10
ALA C   2
LEU C   1
VAL A  34
ILE A  52
MET A   5
0.89A11.54
5.50
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.
5M5K_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 4
GLN A  96
THR A  94
LEU B  64
LEU B  54
1.67A18.61
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.
4XRG_B_AG2B502_1
(HOMOSPERMIDINE
SYNTHASE)		Agmatine5 / 12
ALA C   2
TRP A 167
GLU A  55
TYR A 171
THR A 163
1.77A8.65
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.
4TZC_D_EF2D505_1
(PROTEIN CEREBLON)		Thalidomide4 / 8
TYR A 116
THR A 143
HIS A 114
PHE A  22
1.68A19.26
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.
3BF6_H_SVRH301_1
(THROMBIN, HEAVY
CHAIN)		Suramin5 / 11
HIS B  84
PRO B   5
VAL B  82
GLY B  43
GLU B  44
1.49A19.57
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.
5AXD_A_RBVA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Ribavirin3 / 3
THR A 190
HIS A 263
LEU A 215
1.05A21.44
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.
3BRF_A_SORA1_0
(LIN-12 AND GLP-1
PHENOTYPE PROTEIN 1,
ISOFORM A)		Sorbitol3 / 3
GLY B  29
ASP B  59
SER B  57
1.24A12.16
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.
1XP0_A_VDNA201_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Vardenafil5 / 10
LEU C   6
ALA C   8
VAL A 152
ALA A 153
LEU A 160
1.60A3.73
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.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)		Rifabutin4 / 7
LEU B  54
GLY B  29
TYR B  63
SER B  57
1.32A22.22
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.
4E3A_A_ADNA500_1
(SUGAR KINASE PROTEIN)		Adenosine5 / 12
GLY A  16
GLY A  18
SER A  92
LEU A  78
GLU A  19
1.43A21.27
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.
2OAX_A_SNLA1001_2
(MINERALOCORTICOID
RECEPTOR)		Spironolactone4 / 5
LEU C   6
TRP A 133
LEU A 156
MET A  98
1.68A6.62
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		Creatine4 / 8
HIS A   3
ASP A  29
TYR A 171
TRP A  51
1.50A21.38
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.
4IFV_A_T27A601_1
(EXORIBONUCLEASE H,
P66 RT)		Rilpivirine5 / 12
PRO A 235
VAL B  82
VAL B   9
TYR B  66
PRO B   5
1.42A19.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MRJ_A_ADNA300_1
(ALPHA-TRICHOSANTHIN)		Adenosine4 / 8
GLY A 175
TYR A 171
ILE A  52
GLU A  55
1.28A25.26
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.
5K7U_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		S-Adenosylmethionine5 / 12
ASP B  34
ILE B  35
LEU B  54
PHE B  30
ARG B   3
1.09A17.96
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.
6HLO_A_GBQA1501_0
(SUBSTANCE-P
RECEPTOR,GLGA
GLYCOGEN
SYNTHASE,SUBSTANCE-P
RECEPTOR)		Aprepitant5 / 12
ILE A  52
TYR A  59
PHE A   9
HIS A  70
MET A  98
1.63A17.43
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.
5NEL_C_ACTC302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		Acetic acid4 / 6
HIS A 114
HIS A  74
LEU C   6
HIS A  70
1.49A22.02
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.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
LEU C   1
LEU A 179
GLY A  26
ILE A  52
ALA A  49
1.25A2.26
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.
5HBS_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
VAL C   9
LEU A  81
PRO A  20
ILE A  23
SER A  13
1.29A20.00
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.
1RK3_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		Calcitriol4 / 4
LEU C   6
ILE A  23
ARG A  21
TYR A   7
1.75A2.46
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.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		Erlotinib5 / 7
SER B  33
GLY A 120
ALA A 117
VAL C   9
LEU A  81
1.64A13.72
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.
5JI0_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 11
GLN A  96
ALA A 117
VAL A 152
CYH C   3
LEU C   6
1.53A20.40
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.
4X1I_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Colchicine3 / 3
SER A 132
ALA A 153
VAL A 152
0.93A19.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Z97_A_CAMA422_0
(CYTOCHROME P450-CAM)		Camphor4 / 6
THR B  68
VAL B   9
VAL B  37
VAL B  82
1.25A13.80
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.
3TPX_E_ACTE204_0
(E3 UBIQUITIN-PROTEIN
LIGASE MDM2)		Acetic acid3 / 3
LYS A 268
PRO A 269
LEU A 266
1.06A13.43
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.
4B3Q_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine4 / 7
VAL B  27
TYR B  66
LEU B  65
TYR B  10
1.42A10.55
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.
4ID5_A_T27A601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
PRO A 235
VAL B  82
VAL B   9
TYR B  66
PRO B   5
1.44A19.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		Salicylamide4 / 5
GLU A  19
SER A  71
PRO A  20
SER A  11
1.70A16.14
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.
1VID_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
SER A 207
TYR B  10
SER B  20
ASP A 238
1.44A20.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 160
TYR A 171
ALA C   2
GLY A 100
MET A   5
1.69A22.83
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.
1IG3_A_VIBA502_1
(THIAMIN
PYROPHOSPHOKINASE)		Thiamine4 / 8
LEU A  81
GLN A 141
ASP A 137
THR A 134
1.31A20.00
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.
5NOO_D_D16D402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
ARG A 169
ILE A  52
LEU A 179
GLY A 175
1.26A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R3A_A_RBFA402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 8
THR A 178
GLU A  55
ASN A 174
LEU A 168
PHE A  33
1.57A20.78
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.
4IJI_H_BEZH501_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF)		Benzoic Acid4 / 7
ALA C   8
VAL A  95
TYR A 116
ARG A  97
1.53A6.56
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.
2XZ5_A_ACHA1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Acetylcholine4 / 7
TYR B  63
SER B  52
GLN A  96
ILE B  35
1.77A20.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FWG_B_CAMB420_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 7
LEU B  64
THR A  10
VAL A  12
ASP B  34
1.13A14.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G2O_A_SAMA500_1
(PCZA361.24)		S-Adenosylmethionine3 / 3
ARG B   3
GLU A 232
ASP A  30
1.63A16.55
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.
3RUK_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Abiraterone5 / 12
ALA A 150
LEU A 156
ALA C   8
THR A  73
VAL C   5
1.36A19.67
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.
6BRD_B_RFPB502_1
(RIFAMPIN
MONOOXYGENASE)		Rifampicin5 / 12
PHE C   4
GLY A  26
VAL A  34
THR A  64
GLY A  62
1.69A2.38
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.
4XQG_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		Agmatine4 / 8
ARG B  97
ASP B  98
VAL B   9
ASP B  96
1.59A12.69
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.
6GB9_A_ACTA508_0
(MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
CNX1)		Acetic acid3 / 3
VAL A 152
ALA C   7
GLN A 155
1.21A18.91
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.
5A1R_A_STRA600_1
(CYTOCHROME P450 3A4)		Progesterone4 / 5
PHE A   9
PHE A  36
PHE A  22
VAL A  67
1.50A22.06
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.
2NNK_A_ROCA401_3
(PROTEASE)		Saquinavir5 / 12
LEU A 201
ASP A 223
PRO A 250
VAL A 249
VAL A 247
1.31A13.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA471_1
(CYTOCHROME P450 51)		Estriol4 / 8
TYR A   7
PHE A   9
PHE B  56
HIS A 114
1.48A20.26
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.
1NW5_A_SAMA401_1
(MODIFICATION
METHYLASE RSRI)		S-Adenosylmethionine3 / 3
ASP A  39
HIS B  51
ASP B  53
1.27A22.99
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.
5HBS_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		Vitamin A4 / 8
LEU A 160
LYS A  66
TYR A   7
TRP A 167
1.30A17.71
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.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Ketoconazole5 / 12
TYR A  85
GLY A 120
ALA A 117
ILE A 124
MET A 138
1.58A22.32
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.
3EKY_A_DR7A100_2
(PROTEASE)		Atazanavir5 / 9
ARG A  21
ASP B  59
ILE B   1
ILE B  35
VAL A  12
1.69A13.87
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.
4KAD_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
GLY A  16
GLY A  18
SER A  92
LEU A  78
GLU A  19
1.46A21.27
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.
2WX2_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Fluconazole4 / 8
ALA C   7
ALA C   8
THR A  80
LEU A  81
1.30A4.02
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.
2W03_B_ADNB1588_1
(ACSD)		Adenosine5 / 10
LEU A 215
HIS A 263
PRO A 185
LEU A 270
GLN A 262
1.61A18.06
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.
1L5R_A_RBFA859_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		Riboflavin5 / 11
LEU C   6
ALA A 158
GLY A 162
TYR A 159
PHE A   9
1.65A3.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_J_FUAJ711_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid5 / 11
SER B  33
PHE B  62
PHE B  56
SER A  92
LEU A  78
1.39A17.57
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.
2V32_C_BEZC1222_0
(PEROXIREDOXIN 6)		Benzoic Acid4 / 8
PRO B  14
SER B  11
GLU B  16
PRO B  72
1.51A16.09
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		Warfarin5 / 11
ALA A 153
LEU A 156
HIS A 114
ARG A  97
ALA C   7
1.46A18.10
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		Parachlorophenol4 / 7
HIS A 114
TYR A  99
LEU C   6
PHE A  22
1.54A21.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6J21_A_GBQA1201_0
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		Aprepitant5 / 12
VAL A  12
HIS B  84
PHE B  62
HIS B  31
PHE B  30
1.62A17.98
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.
6F3N_B_ADNB505_2
(-)		Adenosine4 / 4
GLN A 141
THR A 143
HIS A 114
LEU A 126
1.61A21.19
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.
3RC0_B_SAMB480_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		S-Adenosylmethionine5 / 12
GLY A 162
ALA C   2
HIS A 114
LEU A 126
TYR A  99
1.43A21.56
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.
1PJ7_A_FFOA2887_0
(N,N-DIMETHYLGLYCINE
OXIDASE)		Levoleucovorin5 / 12
LEU A 160
GLY A 112
TYR A 116
TYR A  99
PHE B  56
1.61A16.14
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.
1GTI_C_CCSC47_0
(GLUTATHIONE
S-TRANSFERASE)		Carbocisteine4 / 6
LEU A 160
GLY A 162
LYS C   1
TYR A 159
1.10A22.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		Acarbose4 / 7
HIS A 188
ASP B  98
ASP B  96
TRP A 204
1.60A12.37
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.
5E8Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
ASP A  29
LEU A 110
ARG A 111
1.42A21.98
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.
1FDT_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)		Estradiol5 / 11
VAL B  82
TYR B  66
TYR B  26
SER B  28
PHE B  30
1.79A14.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		Alogliptin5 / 12
TYR A  85
TYR A  84
TYR A 116
TYR A 123
VAL A  95
1.70A18.39
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.
3CL9_A_MTXA602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		Methotrexate5 / 12
ALA C   8
SER A  11
PRO A  20
ARG A  82
TYR A 123
1.67A1.59
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.
3QXY_A_SAMA6734_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		S-Adenosylmethionine5 / 12
GLY A 162
ALA C   2
HIS A 114
LEU A 126
TYR A  99
1.43A21.56
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.
1JGL_L_ESTL911_1
(IG GAMMA-1-CHAIN
IG KAPPA-CHAIN)		Estradiol5 / 10
GLN A  96
LEU B  54
TYR B  63
HIS B  31
TRP B  60
1.67A21.69
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.
4Z2D_F_LFXF102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		Levofloxacin3 / 4
ARG A 111
GLY A 112
GLU A 128
1.07A18.60
21.48
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.
4OLB_A_TRPA901_0
(PROTEIN ARGONAUTE-2)		L-Tryptophan3 / 3
VAL A  67
ALA C   2
PHE A   9
1.44A15.73
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.
1XKK_A_FMMA91_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Lapatinib5 / 12
ALA A 125
THR A 134
LEU A 110
ASP A 102
ASP A 129
1.53A22.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CL5_B_SAMB1217_1
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 6
SER A 207
TYR B  10
SER B  20
ASP A 238
1.36A20.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)		Saxagliptin5 / 12
TYR A  85
TYR A  84
TYR A 116
TYR A 123
VAL A  95
1.77A18.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_C_1N1C501_1
(PROTEIN-TYROSINE
KINASE 6)		Dasatinib6 / 12
ALA A 205
LEU A 270
THR A 187
GLY A 265
GLU A 264
LEU A 266
1.55A22.37
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.
2DDW_B_PXLB1005_1
(PYRIDOXINE KINASE)		Pyridoxal4 / 7
LEU A 201
THR A 258
GLY A 221
ASP A 220
1.45A24.53
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.
2P16_A_GG2A298_2
(COAGULATION FACTOR X
(EC 3.4.21.6)
(STUART FACTOR)
(STUART-PROWER
FACTOR))		Apixaban3 / 3
ARG A 219
GLU A 222
GLN A 224
1.68A23.33
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.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		Metyrapone4 / 6
ARG A 181
ALA A 211
THR A 233
ALA A 236
1.39A22.06
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.
6FBO_A_ADNA406_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		Adenosine4 / 8
PRO B  32
SER A  11
SER A  38
ASP B  34
1.57A12.56
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.
3ADS_A_IMNA2_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin4 / 6
ILE A  52
TYR A 171
LEU C   6
PHE C   4
1.21A21.79
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.
3HKU_A_TORA300_2
(CARBONIC ANHYDRASE 2)		Topiramate3 / 3
GLU A 264
HIS A 263
THR A 182
1.41A22.48
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.
2NYR_B_SVRB401_4
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		Suramin4 / 5
ALA A 153
ALA A 135
ALA A 140
VAL C   9
1.14A25.76
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.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		Carvedilol5 / 12
LEU C   6
SER B  33
TRP B  60
PHE B  56
TYR A 116
1.74A3.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FCB_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
PRO B  32
SER A  11
SER A  38
ASP B  34
1.64A12.56
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.
6NMF_G_CHDG104_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG A 111
ARG A   6
GLY A   1
GLU A 264
THR A 182
1.72A16.42
16.70
22.38
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.
4R38_B_RBFB201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 8
THR A 178
ILE A  52
GLU A  55
LEU A 168
PHE A  33
1.53A21.54
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.
4ECK_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Folic Acid5 / 12
PHE B  30
SER B  33
PHE B  56
VAL B  27
THR B  86
1.57A10.56
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.
1DZ9_A_CAMA503_0
(CYTOCHROME P450-CAM)		Camphor4 / 8
LEU B  64
THR A  10
VAL A  12
ASP B  34
1.00A13.59
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.
6F6J_A_ACTA404_0
(L-LYSINE
3-HYDROXYLASE)		Acetic acid4 / 6
ILE A  52
TYR A  59
LEU C   1
VAL A  34
1.71A20.98
None