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.
4ENH_A_FVXA602_1
(CHOLESTEROL
24-HYDROXYLASE)
1zef ALKALINE PHOSPHATASE
(Homo
sapiens)
5 / 12LEU A  69
ALA A  51
THR A  48
ALA A 327
THR A 331
None
1.12A23.76
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.
4ENH_A_FVXA602_1
(CHOLESTEROL
24-HYDROXYLASE)
2can ORNITHINE
AMINOTRANSFERASE
(Homo
sapiens)
5 / 12LEU A 402
ILE A 432
ALA A 390
GLY A 409
ALA A 404
None
1.01A21.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ENH_A_FVXA602_1
(CHOLESTEROL
24-HYDROXYLASE)
2q9g CYTOCHROME P450 46A1
(Homo
sapiens)
12 / 12PHE A  80
PHE A 121
LEU A 219
ILE A 222
ILE A 301
ALA A 302
THR A 306
ALA A 367
TRP A 368
GLY A 369
ALA A 474
THR A 475
None
None
None
None
None
HEM  A 505 (-3.7A)
HEM  A 505 (-3.7A)
HEM  A 505 (-3.5A)
None
None
None
None
0.38A100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ENH_A_FVXA602_1
(CHOLESTEROL
24-HYDROXYLASE)
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9
(Homo
sapiens)
5 / 12LEU A 415
ALA A 393
ALA A 388
GLY A 365
ALA A 442
None
1.16A20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ENH_A_FVXA602_1
(CHOLESTEROL
24-HYDROXYLASE)
4ov6 PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9
(Homo
sapiens)
5 / 12LEU B 415
ALA B 393
ALA B 388
GLY B 365
ALA B 442
None
1.11A19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ENH_A_FVXA602_1
(CHOLESTEROL
24-HYDROXYLASE)
5fbh EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR
(Homo
sapiens)
5 / 12PHE B 183
ILE B 187
GLY B 148
ALA B 168
THR B 145
None
None
None
TCR  B 609 (-4.1A)
CL  B 605 ( 3.9A)
1.13A20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ENH_A_FVXA602_1
(CHOLESTEROL
24-HYDROXYLASE)
5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2
(Homo
sapiens)
5 / 12LEU A 455
ILE A 368
ILE A 411
ALA A 427
GLY A 440
None
1.10A18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM9_A_FVXA603_1
(TRANSPORTER)
2o6l UDP-GLUCURONOSYLTRAN
SFERASE 2B7
(Homo
sapiens)
5 / 11ASP A 435
VAL A 413
ALA A 412
SER A 437
GLY A 410
None
1.27A14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM9_A_FVXA603_1
(TRANSPORTER)
3lmk METABOTROPIC
GLUTAMATE RECEPTOR 5
(Homo
sapiens)
5 / 11ASP A 178
ALA A 196
GLY A 224
SER A 176
ASP A 233
None
1.24A20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM9_A_FVXA603_1
(TRANSPORTER)
5epg ALDEHYDE OXIDASE
(Homo
sapiens)
5 / 11ASP A1093
VAL A1163
TYR A1161
SER A1265
GLY A1192
None
1.00A17.82
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.
4MM9_A_FVXA603_1
(TRANSPORTER)
5gwn PROTEIN RCC2
(Homo
sapiens)
5 / 11VAL A 478
TYR A 464
GLY A 110
PHE A 109
GLY A 465
None
1.30A21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM9_A_FVXA603_1
(TRANSPORTER)
5hcc COMPLEMENT C5
(Homo
sapiens)
5 / 11VAL A1423
ALA A1422
TYR A1496
TYR A1498
SER A1007
None
1.27A19.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MM9_A_FVXA603_1
(TRANSPORTER)
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER
(Homo
sapiens)
6 / 11TYR A  95
ASP A  98
ALA A 169
GLY A 338
SER A 438
GLY A 442
None
1.44A32.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MM9_A_FVXA603_1
(TRANSPORTER)
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER
(Homo
sapiens)
8 / 11TYR A  95
ASP A  98
ALA A 173
TYR A 175
TYR A 176
GLY A 338
SER A 438
GLY A 442
None
0.68A32.24
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.
4MM9_A_FVXA603_1
(TRANSPORTER)
6f39 COMPLEMENT C1R
SUBCOMPONENT
(Homo
sapiens)
5 / 11ASP A 226
TYR A 197
GLY A 252
PHE A 223
SER A 278
CA  A 303 (-3.2A)
None
None
None
CA  A 303 ( 3.8A)
1.14A8.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWP_A_FVXA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)
1fq3 GRANZYME B
(Homo
sapiens)
5 / 9ASN A  98
SER A 100
SER A 214
SER A 195
GLY A 196
None
None
None
SO4  A 800 (-2.4A)
None
1.39A16.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWP_A_FVXA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)
1ivh ISOVALERYL-COA
DEHYDROGENASE
(Homo
sapiens)
5 / 9ASN A 169
SER A  96
SER A 126
GLY A  56
THR A  64
None
1.37A21.24
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.
6AWP_A_FVXA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)
2akz GAMMA ENOLASE
(Homo
sapiens)
5 / 9ASN A 101
ILE A  72
SER A 103
GLY A 112
THR A  71
None
1.50A23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWP_A_FVXA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)
2f57 SERINE/THREONINE-PRO
TEIN KINASE PAK 7
(Homo
sapiens)
5 / 9ASN A 505
ILE A 626
PHE A 676
SER A 628
GLY A 630
None
1.39A20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWP_A_FVXA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)
2iwg 52 KDA RO PROTEIN
(Homo
sapiens)
5 / 9SER B 151
PHE B 155
SER B  90
SER B  92
GLY B  93
None
1.47A14.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWP_A_FVXA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)
2vn8 RETICULON-4-INTERACT
ING PROTEIN 1
(Homo
sapiens)
5 / 9ASP A  87
ASN A  84
ILE A  48
SER A  92
GLY A  93
None
1.38A21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWP_A_FVXA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)
3eab CHMP1B
SPASTIN
(Homo
sapiens)
5 / 9ASP G 186
SER G 189
PHE A 124
SER G 182
SER G 179
None
1.50A6.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWP_A_FVXA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)
3hng VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 1
(Homo
sapiens)
5 / 9ASN A1034
SER A1001
PHE A1093
SER A 918
GLY A1096
None
1.39A20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWP_A_FVXA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)
5f89 CAP248-2B HEAVY
CHAIN
CAP248-2B LIGHT
CHAIN
(Homo
sapiens)
5 / 9SER L 177
SER H 179
SER H 180
GLY H 139
THR L 115
None
1.39A17.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AWP_A_FVXA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER
(Homo
sapiens)
8 / 9ASP A  98
ASN A 101
ILE A 172
SER A 336
SER A 438
SER A 439
GLY A 442
THR A 497
None
0.46A99.82
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.
6AWP_A_FVXA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)
6b3x CLEAVAGE STIMULATION
FACTOR SUBUNIT 1
(Homo
sapiens)
5 / 9ASN A 269
ILE A 123
SER A 406
GLY A 120
THR A 125
None
1.42A21.96