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.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		1v5w MEIOTIC
RECOMBINATION
PROTEIN DMC1/LIM15
HOMOLOG
(Homo
sapiens)		5 / 12ILE A 101
GLY A 149
GLY A 114
LEU A 112
GLY A 153
None
1.12A22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		3ayd GALECTIN-3
(Homo
sapiens)		5 / 12ASP A 215
ILE A 200
PHE A 192
LEU A 219
GLY A 136
None
1.12A11.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		4aej COLLAGEN
ALPHA-1(III) CHAIN
(Homo
sapiens)		5 / 12ILE A 223
ALA A 224
PHE A 117
GLY A 108
VAL A 239
None
1.06A17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		4asi ACETYL-COA
CARBOXYLASE 1
(Homo
sapiens)		5 / 12PHE A1997
GLY A2017
LEU A1949
GLY A2011
VAL A2022
None
1.12A22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		4j1y COMPLEMENT C1S
SUBCOMPONENT
(Homo
sapiens)		5 / 12ILE A 567
ALA A 585
GLY A 462
GLY A 569
GLY A 651
None
1.13A19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		4p7a DNA MISMATCH REPAIR
PROTEIN MLH1
(Homo
sapiens)		5 / 12ILE A  32
ALA A  31
GLY A  55
LEU A 155
VAL A 194
None
1.01A21.42
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.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens)		5 / 12ILE A 537
ALA A 536
TYR A 492
GLY A 526
GLY A 608
None
0.90A20.00
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.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		5exr DNA PRIMASE LARGE
SUBUNIT
(Homo
sapiens)		5 / 12ASP B 361
ILE B 349
GLY B 310
LEU B 313
GLY B 344
None
1.17A19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		5h9p GALECTIN-3
(Homo
sapiens)		5 / 12ASP A 215
ILE A 200
PHE A 192
LEU A 219
GLY A 136
None
1.08A13.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER
(Homo
sapiens)		12 / 12TYR A  95
ASP A  98
ILE A 172
ALA A 173
TYR A 175
PHE A 335
GLY A 338
PHE A 341
GLY A 442
LEU A 443
GLY A 498
VAL A 501
None
0.40A99.82
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.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		5nfb GALECTIN-3
(Homo
sapiens)		5 / 12ASP A 215
ILE A 200
PHE A 192
LEU A 219
GLY A 136
None
1.04A14.21
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.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		2nzt HEXOKINASE-2
(Homo
sapiens)		5 / 12ILE A 229
ALA A 236
GLY A 448
GLY A 411
GLY A  87
GLC  A1001 (-4.2A)
None
BG6  A1002 (-3.6A)
None
UNX  A   6 ( 3.4A)
0.98A21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		2o96 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 7
(Homo
sapiens)		5 / 12ILE A 108
ALA A 107
GLY A  98
GLY A  37
VAL A  36
None
0.97A15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		2qna IMPORTIN SUBUNIT
BETA-1
(Homo
sapiens)		5 / 12ALA A 631
GLY A 620
PHE A 615
LEU A 558
GLY A 657
None
0.94A20.76
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.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		3ctt MALTASE-GLUCOAMYLASE
(Homo
sapiens)		5 / 12ILE A 818
ALA A 851
GLY A 732
GLY A 820
VAL A 791
None
0.94A21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		3thc BETA-GALACTOSIDASE
(Homo
sapiens)		5 / 12ALA A 443
TYR A 444
GLY A 481
GLY A 494
LEU A 495
None
0.99A22.21
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.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		3wxw ADIPONECTIN RECEPTOR
PROTEIN 2
(Homo
sapiens)		6 / 12ALA A 318
PHE A 187
GLY A 229
PHE A 231
GLY A 286
LEU A 287
None
1.29A22.63
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.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		4nsp ENDONUCLEASE V
(Homo
sapiens)		5 / 12ALA A 154
GLY A 143
GLY A 129
LEU A 131
GLY A  50
None
0.92A17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		4p7a DNA MISMATCH REPAIR
PROTEIN MLH1
(Homo
sapiens)		5 / 12ILE A  32
ALA A  31
GLY A  55
LEU A 155
VAL A 194
None
0.98A21.42
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.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		4pj1 60 KDA HEAT SHOCK
PROTEIN,
MITOCHONDRIAL
(Homo
sapiens)		5 / 12ASP A 480
ILE A 455
ALA A 452
GLY A 415
GLY A  35
ADP  A 601 (-3.9A)
ADP  A 601 (-4.3A)
None
ADP  A 601 (-3.5A)
None
0.99A20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens)		5 / 12ILE A 537
ALA A 536
TYR A 492
GLY A 526
GLY A 608
None
0.93A20.00
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.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		5hdt SISTER CHROMATID
COHESION PROTEIN
PDS5 HOMOLOG B
(Homo
sapiens)		5 / 12ILE A 829
ALA A 828
GLY A 862
LEU A 797
GLY A 883
None
0.96A19.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER
(Homo
sapiens)		12 / 12TYR A  95
ASP A  98
ILE A 172
ALA A 173
TYR A 175
PHE A 335
GLY A 338
PHE A 341
GLY A 442
LEU A 443
GLY A 498
VAL A 501
None
0.47A99.82
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.
5I73_A_68PA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		2ej7 HCG3 GENE
(Homo
sapiens)		5 / 9ALA A  21
GLN A  20
GLU A  13
LEU A  63
ILE A  26
None
1.30A8.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I73_A_68PA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		2l08 REGULATOR OF
NONSENSE TRANSCRIPTS
3A
(Homo
sapiens)		5 / 9ALA A  56
PHE A  42
GLU A  27
LEU A  17
ILE A  14
None
1.44A10.53
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.
5I73_A_68PA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		4rlv ANKYRIN-1, ANKYRIN-2
(Homo
sapiens;
Mus
musculus)		5 / 9ALA A2769
GLN A2770
PRO A2787
LEU A2813
ILE A2777
None
1.24A19.89
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.
5I73_A_68PA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		4wtv PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-BETA,ENDOLYSIN,PHO
SPHATIDYLINOSITOL
4-KINASE TYPE 2-BETA
(Escherichia
virus
T4;
Homo
sapiens)		5 / 9ARG A 313
ALA A 341
GLU A 261
ILE A 343
PHE A 259
None
None
None
ATP  A1201 (-3.6A)
ATP  A1201 (-3.2A)
1.50A20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I73_A_68PA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		4yhj G PROTEIN-COUPLED
RECEPTOR KINASE 4
(Homo
sapiens)		5 / 9GLN A 287
PHE A 291
GLU A 463
LEU A 457
ILE A 452
None
1.46A21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I73_A_68PA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		5hjp OXYSTEROLS RECEPTOR
LXR-BETA
(Homo
sapiens)		5 / 9ALA B 286
GLN B 288
GLU B 315
LEU B 304
ILE B 378
None
1.42A19.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I73_A_68PA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER
(Homo
sapiens)		7 / 9ARG A 104
ALA A 331
GLN A 332
PHE A 335
PRO A 499
LEU A 502
ILE A 552
None
0.73A99.82
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.
5I73_A_68PA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		5ivw GENERAL
TRANSCRIPTION FACTOR
IIH SUBUNIT 3
(Homo
sapiens)		5 / 9ALA 3 206
GLN 3 205
PHE 3 177
LEU 3 137
ILE 3 191
None
1.41A18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I73_A_68PA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		5wkh D30 TCR BETA CHAIN
(Homo
sapiens)		5 / 9ALA E  78
PRO E  72
LEU E  71
ILE E  54
PHE E  76
None
1.43A18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I73_A_68PA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		5wrj PROTEIN-TYROSINE
SULFOTRANSFERASE 1
(Homo
sapiens)		5 / 9GLN A 258
PHE A 256
LEU A 180
ILE A  72
PHE A 179
None
1.34A19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I73_A_68PA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		5y4f ANKYRIN-2
(Homo
sapiens)		5 / 9ALA A 768
GLN A 769
PRO A 786
LEU A 812
ILE A 776
None
1.37A22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		1ybw HEPATOCYTE GROWTH
FACTOR ACTIVATOR
PRECURSOR
(Homo
sapiens)		5 / 12ILE A 537
ALA A 538
GLY A 621
SER A 598
GLY A 585
None
1.08A18.58
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.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		2fcf MULTIPLE PDZ DOMAIN
PROTEIN
(Homo
sapiens)		5 / 12ILE A1228
ALA A1224
PHE A1237
SER A1165
VAL A1235
None
1.22A11.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens)		5 / 12ILE A 164
GLY A 162
LEU A 189
GLY A 252
VAL A 255
NAI  A1501 (-4.4A)
None
None
None
None
1.22A21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		3ayd GALECTIN-3
(Homo
sapiens)		5 / 12ASP A 215
ILE A 200
PHE A 192
LEU A 219
GLY A 136
None
1.12A11.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		3h32 FIBRINOGEN ALPHA
CHAIN
FIBRINOGEN BETA
CHAIN
(Homo
sapiens)		5 / 12GLY B 263
PHE B 262
SER A 160
GLY B 258
GLY B 272
None
1.05A20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1
(Homo
sapiens)		5 / 12ASP A 253
ILE A  60
SER A 186
LEU A 123
GLY A  70
 ZN  A1363 (-2.5A)
None
None
None
None
0.89A20.00
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.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		4aej COLLAGEN
ALPHA-1(III) CHAIN
(Homo
sapiens)		5 / 12ILE A 223
ALA A 224
PHE A 117
GLY A 108
VAL A 239
None
1.09A17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8
(Homo
sapiens)		5 / 12ALA A  40
GLY A 105
SER A  21
GLY A  24
VAL A  76
None
NAD  A 301 (-3.5A)
NAD  A 301 (-3.1A)
None
NAD  A 301 (-3.6A)
1.20A18.35
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.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		5exr DNA PRIMASE LARGE
SUBUNIT
(Homo
sapiens)		5 / 12ASP B 361
ILE B 349
GLY B 310
LEU B 313
GLY B 344
None
1.18A19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		5h9p GALECTIN-3
(Homo
sapiens)		5 / 12ASP A 215
ILE A 200
PHE A 192
LEU A 219
GLY A 136
None
1.10A13.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER
(Homo
sapiens)		12 / 12TYR A  95
ASP A  98
ILE A 172
ALA A 173
TYR A 175
GLY A 338
PHE A 341
SER A 438
GLY A 442
LEU A 443
GLY A 498
VAL A 501
None
0.40A99.82
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.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		5nfb GALECTIN-3
(Homo
sapiens)		5 / 12ASP A 215
ILE A 200
PHE A 192
LEU A 219
GLY A 136
None
1.05A14.21