POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second 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. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Seq.
Identity (%)
View 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.
3GWV_A_RFXA801_1
(TRANSPORTER)
1tf0 SERUM ALBUMIN
(Homo
sapiens)
5 / 12LEU A 430
GLY A 431
PHE A 403
ALA A 449
LEU A 387
None
0.71A21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWV_A_RFXA801_1
(TRANSPORTER)
1zkc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
LIKE 2
(Homo
sapiens)
5 / 12LEU A 366
GLY A 398
LEU A 293
ARG A 399
ILE A 382
None
1.05A16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWV_A_RFXA801_1
(TRANSPORTER)
2g76 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
(Homo
sapiens)
5 / 12LEU A  50
GLY A  49
LEU A   9
PHE A 302
LEU A  14
None
0.86A19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWV_A_RFXA801_1
(TRANSPORTER)
2nq3 ITCHY HOMOLOG E3
UBIQUITIN PROTEIN
LIGASE
(Homo
sapiens)
5 / 12LEU A 142
GLY A 141
LEU A 113
ILE A 102
LEU A  79
None
0.96A14.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWV_A_RFXA801_1
(TRANSPORTER)
3enp TP53RK-BINDING
PROTEIN
(Homo
sapiens)
5 / 12GLY A  27
LEU A  29
ARG A  30
ILE A 105
ALA A  33
None
1.02A15.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWV_A_RFXA801_1
(TRANSPORTER)
3wzf ASPARTATE
AMINOTRANSFERASE,
CYTOPLASMIC
(Homo
sapiens)
5 / 12LEU A 174
GLY A 172
LEU A 170
ILE A 208
LEU A 188
None
0.74A19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWV_A_RFXA801_1
(TRANSPORTER)
4z3k SEPIAPTERIN
REDUCTASE
(Homo
sapiens)
6 / 12LEU A  27
GLY A   1
LEU A   2
GLN A  90
ALA A   5
LEU A  58
None
1.26A20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWV_A_RFXA801_1
(TRANSPORTER)
5fbh EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR
(Homo
sapiens)
5 / 12LEU B  34
GLY B  35
ILE B 427
ALA B 457
LEU B 464
None
0.96A20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWV_A_RFXA801_1
(TRANSPORTER)
5k5t EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR
(Homo
sapiens)
5 / 12LEU A  34
GLY A  35
ILE A 427
ALA A 457
LEU A 464
None
1.02A20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWV_A_RFXA801_1
(TRANSPORTER)
5n6c D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
(Homo
sapiens)
5 / 12LEU A  51
GLY A  50
LEU A  10
PHE A 303
LEU A  15
None
0.85A9.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWV_A_RFXA801_1
(TRANSPORTER)
5wai POLYCOMB PROTEIN
SUZ12
(Homo
sapiens)
5 / 12GLY B 484
TYR B 478
ILE B 487
ALA B 444
LEU B 467
None
1.03A8.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWV_A_RFXA801_1
(TRANSPORTER)
5whr INDOLEAMINE
2,3-DIOXYGENASE 1
(Homo
sapiens)
5 / 12LEU A 277
GLY A 278
LEU A 276
TYR A 332
LEU A 196
None
0.95A10.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWV_A_RFXA801_1
(TRANSPORTER)
6g79 5-HYDROXYTRYPTAMINE
RECEPTOR 1B
GUANINE
NUCLEOTIDE-BINDING
PROTEIN G(O) SUBUNIT
ALPHA
(Homo
sapiens)
5 / 12LEU A 343
GLY A 342
LEU A 338
ILE S 231
ALA S 150
None
1.05A10.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM8_A_RFXA603_1
(TRANSPORTER)
1by1 PROTEIN (PIX)
(Homo
sapiens)
5 / 12ALA A 133
GLY A 144
SER A 135
GLY A 137
THR A  34
None
1.19A16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM8_A_RFXA603_1
(TRANSPORTER)
1cjl PROCATHEPSIN L
(Homo
sapiens)
5 / 12ALA A  73
TYR A  72
GLY A  86
PHE A 112
ASP A  79
None
1.15A19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM8_A_RFXA603_1
(TRANSPORTER)
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT
(Homo
sapiens)
5 / 12VAL A 540
TYR A 541
GLY A 593
SER A 624
GLY A 627
None
1.13A21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM8_A_RFXA603_1
(TRANSPORTER)
2iq1 PROTEIN PHOSPHATASE
2C KAPPA, PPM1K
(Homo
sapiens)
5 / 12VAL A 125
ALA A 124
GLY A 207
ASP A 109
THR A 297
None
None
None
MG  A   1 ( 4.9A)
None
1.17A18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM8_A_RFXA603_1
(TRANSPORTER)
4da1 PROTEIN PHOSPHATASE
1K, MITOCHONDRIAL
(Homo
sapiens)
5 / 12VAL A 125
ALA A 124
GLY A 207
ASP A 109
THR A 297
None
None
None
MG  A 504 ( 4.7A)
None
1.11A21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM8_A_RFXA603_1
(TRANSPORTER)
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE
(Homo
sapiens)
5 / 12VAL A  43
GLY A 172
SER A 323
GLY A 326
THR A  31
None
1.17A23.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MM8_A_RFXA603_1
(TRANSPORTER)
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER
(Homo
sapiens)
8 / 12TYR A  95
ASP A  98
ALA A 173
TYR A 175
TYR A 176
GLY A 338
GLY A 442
THR A 497
None
0.91A32.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MM8_A_RFXA603_1
(TRANSPORTER)
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER
(Homo
sapiens)
8 / 12TYR A  95
ASP A  98
TYR A 175
TYR A 176
GLY A 338
SER A 439
GLY A 442
THR A 497
None
1.11A32.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM8_A_RFXA603_1
(TRANSPORTER)
5vbu CYTOCHROME P450
21-HYDROXYLASE
(Homo
sapiens)
5 / 12VAL A 360
ALA A 363
GLY A 431
GLY A 423
THR A 296
HEM  A 501 ( 4.3A)
HEM  A 501 ( 3.7A)
HEM  A 501 (-3.6A)
HEM  A 501 ( 4.4A)
HEM  A 501 (-3.7A)
1.21A22.75