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.
4MM6_A_29EA603_1
(TRANSPORTER)		1hjv CHITINASE-3 LIKE
PROTEIN 1
(Homo
sapiens)		5 / 12ASP A 330
ALA A 295
TYR A 296
VAL A 326
GLY A 262
None
1.33A20.57
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.
4MM6_A_29EA603_1
(TRANSPORTER)		1imh NUCLEAR FACTOR OF
ACTIVATED T CELLS 5
(Homo
sapiens)		5 / 12VAL C 255
ALA C 270
TYR C 268
VAL C 229
GLY C 310
None
1.33A19.54
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.
4MM6_A_29EA603_1
(TRANSPORTER)		1lar PROTEIN (LAR)
(Homo
sapiens)		5 / 12VAL A1520
ALA A1396
PHE A1503
PHE A1532
GLY A1530
None
1.24A21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		1lar PROTEIN (LAR)
(Homo
sapiens)		5 / 12VAL A1811
ALA A1685
PHE A1792
PHE A1823
GLY A1821
None
1.29A21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		1rpm RECEPTOR PROTEIN
TYROSINE PHOSPHATASE
MU
(Homo
sapiens)		5 / 12VAL A1093
ALA A 970
PHE A1076
PHE A1105
GLY A1103
None
1.28A19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		2cfv HUMAN PROTEIN
TYROSINE PHOSPHATASE
RECEPTOR TYPE J
(Homo
sapiens)		5 / 12VAL A1237
ALA A1111
PHE A1218
PHE A1249
GLY A1247
None
1.26A19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		2dzq GENERAL
TRANSCRIPTION FACTOR
II-I REPEAT
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		5 / 12TYR A  34
VAL A  46
PHE A  61
PHE A  16
VAL A  32
None
1.11A11.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		2jjd RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE EPSILON
(Homo
sapiens)		5 / 12VAL A 333
ALA A 206
PHE A 316
PHE A 345
GLY A 343
None
1.21A19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		2ooq RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE T
(Homo
sapiens)		5 / 12VAL A1104
ALA A 981
PHE A1087
PHE A1116
GLY A1114
None
1.20A20.11
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.
4MM6_A_29EA603_1
(TRANSPORTER)		3hqi SPECKLE-TYPE POZ
PROTEIN
(Homo
sapiens)		5 / 12VAL A 206
ALA A 207
PHE A 225
PHE A 251
VAL A 250
None
1.26A20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		3nvq SEMAPHORIN-7A
(Homo
sapiens)		5 / 12ASP A 343
VAL A 262
ALA A 263
TYR A 241
VAL A 387
None
1.23A21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		4bpc RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE S
(Homo
sapiens)		5 / 12VAL A1587
ALA A1463
PHE A1570
PHE A1599
GLY A1597
None
1.24A20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		4bpc RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE S
(Homo
sapiens)		5 / 12VAL A1878
ALA A1752
PHE A1859
PHE A1890
GLY A1888
None
1.29A20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		4ikc PHOSPHOTIDYLINOSITOL
PHOSPHATASE PTPRQ
(Homo
sapiens)		5 / 12VAL A2877
ALA A2753
PHE A2860
PHE A2889
GLY A2887
None
1.28A20.88
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.
4MM6_A_29EA603_1
(TRANSPORTER)		4mrm GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 2
(Homo
sapiens)		5 / 12VAL B 134
PHE B 354
VAL B  77
SER B  72
GLY B  74
None
1.10A20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		4nrq RNA DEMETHYLASE
ALKBH5
(Homo
sapiens)		5 / 12VAL A 191
ALA A 190
PHE A 134
VAL A 161
GLY A 136
None
0.82A17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
5
ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
8
(Homo
sapiens)		5 / 12TYR A 424
TYR B 567
PHE B 453
VAL A 542
GLY A 428
None
0.95A22.92
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.
4MM6_A_29EA603_1
(TRANSPORTER)		5epg ALDEHYDE OXIDASE
(Homo
sapiens)		5 / 12ASP A1093
VAL A1163
TYR A1161
SER A1265
GLY A1192
None
0.99A17.82
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.
4MM6_A_29EA603_1
(TRANSPORTER)		5hcc COMPLEMENT C5
(Homo
sapiens)		5 / 12VAL A1423
ALA A1422
TYR A1496
TYR A1498
SER A1007
None
1.23A19.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MM6_A_29EA603_1
(TRANSPORTER)		5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER
(Homo
sapiens)		6 / 12TYR A  95
ASP A  98
ALA A 169
VAL A 343
SER A 438
GLY A 442
None
1.16A32.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MM6_A_29EA603_1
(TRANSPORTER)		5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER
(Homo
sapiens)		9 / 12TYR A  95
ASP A  98
ALA A 173
TYR A 175
TYR A 176
VAL A 343
SER A 438
GLY A 442
THR A 497
None
0.96A32.24
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.
4MM6_A_29EA603_1
(TRANSPORTER)		5nzz TGF-BETA-ACTIVATED
KINASE 1 AND
MAP3K7-BINDING
PROTEIN 1
(Homo
sapiens)		5 / 12TYR A 250
TYR A 246
VAL A  76
SER A 163
GLY A 165
None
1.30A9.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT
(Homo
sapiens)		5 / 10VAL A 540
TYR A 541
GLY A 593
SER A 624
GLY A 627
None
1.09A21.07
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.
4MMD_A_29EA603_1
(TRANSPORTER)		2dne DIHYDROLIPOYLLYSINE-
RESIDUE
ACETYLTRANSFERASE
COMPONENT OF
PYRUVATE
DEHYDROGENASE
COMPLEX
(Homo
sapiens)		5 / 10ASP A  72
VAL A  66
ALA A  67
GLY A  22
GLY A  69
None
1.20A11.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		3fd5 SELENIDE, WATER
DIKINASE 1
(Homo
sapiens)		5 / 10VAL A 302
ALA A 305
GLY A  28
PHE A 310
GLY A 307
None
1.33A20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		3iec SERINE/THREONINE-PRO
TEIN KINASE MARK2
(Homo
sapiens)		5 / 10PRO A 214
VAL A 238
TYR A 241
PHE A 250
SER A 247
None
1.30A20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		4rkk LAFORIN
(Homo
sapiens)		5 / 10PRO A 246
VAL A 249
ALA A 248
GLY A 322
PHE A 317
None
1.25A20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		5bug PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
3-PHOSPHATASE AND
DUAL-SPECIFICITY
PROTEIN PHOSPHATASE
PTEN
(Homo
sapiens)		5 / 10PRO A 190
VAL A 191
ALA A 192
PHE A 278
GLY A 251
None
1.15A20.43
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.
4MMD_A_29EA603_1
(TRANSPORTER)		5e6s INTEGRIN ALPHA-L
INTEGRIN BETA-2
(Homo
sapiens)		5 / 10TYR A  69
VAL A 343
ALA A 342
GLY B 254
SER A 101
None
1.27A20.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MMD_A_29EA603_1
(TRANSPORTER)		5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER
(Homo
sapiens)		7 / 10TYR A  95
ASP A  98
ALA A 173
TYR A 176
GLY A 338
SER A 439
GLY A 442
None
0.87A31.21
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.
4MMD_A_29EA603_1
(TRANSPORTER)		5m3x ANGIOTENSINOGEN
(Homo
sapiens)		5 / 10VAL A  95
TYR A 357
GLY A 443
SER A 394
GLY A 355
None
1.26A9.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		5mc5 XAA-PRO DIPEPTIDASE
(Homo
sapiens)		5 / 10TYR A 382
ASP A 153
PRO A 327
GLY A 381
SER A 396
GOL  A 506 ( 4.5A)
None
None
None
None
1.24A9.44
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.
4MMD_A_29EA603_1
(TRANSPORTER)		5van BETA-KLOTHO
(Homo
sapiens)		5 / 10PRO A 242
VAL A 245
ALA A 246
TYR A 250
GLY A 270
None
1.25A9.62
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6eot DIPEPTIDYL PEPTIDASE
8
(Homo
sapiens)		5 / 10TYR A 759
TYR A 669
GLY A 723
SER A 755
GLY A 758
None
1.29A8.30
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.
4MMD_B_29EB603_1
(TRANSPORTER)		1hzf COMPLEMENT FACTOR
C4A
(Homo
sapiens)		5 / 12ALA A1005
TYR A1008
GLY A1274
PHE A1280
SER A 977
None
0.90A21.17
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.
4MMD_B_29EB603_1
(TRANSPORTER)		1y0l CATALYTIC ANTIBODY
FAB 34E4 HEAVY CHAIN
(Homo
sapiens;
Mus
musculus)		5 / 12PRO H  14
VAL H 111
ALA H  12
SER H  82
GLY H  16
None
1.20A18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_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
1.15A21.07
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.
4MMD_B_29EB603_1
(TRANSPORTER)		1zrz PROTEIN KINASE C,
IOTA
(Homo
sapiens)		5 / 12VAL A 262
ALA A 272
TYR A 271
GLY A 241
SER A 311
None
BI1  A1000 (-3.4A)
None
None
None
1.17A22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		2cq0 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT 4
(Homo
sapiens)		5 / 12ASP A 273
ALA A 283
TYR A 269
SER A 279
GLY A 281
None
1.15A11.35
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.
4MMD_B_29EB603_1
(TRANSPORTER)		3k1z HALOACID
DEHALOGENASE-LIKE
HYDROLASE
DOMAIN-CONTAINING
PROTEIN 3
(Homo
sapiens)		5 / 12ASP A 138
PRO A  61
TYR A  53
SER A  71
GLY A  64
None
1.09A18.94
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.
4MMD_B_29EB603_1
(TRANSPORTER)		5bug PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
3-PHOSPHATASE AND
DUAL-SPECIFICITY
PROTEIN PHOSPHATASE
PTEN
(Homo
sapiens)		5 / 12PRO A 190
VAL A 191
ALA A 192
PHE A 278
GLY A 251
None
1.15A20.43
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.
4MMD_B_29EB603_1
(TRANSPORTER)		5epg ALDEHYDE OXIDASE
(Homo
sapiens)		5 / 12ASP A1093
VAL A1163
TYR A1161
SER A1265
GLY A1192
None
1.01A18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		5hcc COMPLEMENT C5
(Homo
sapiens)		5 / 12VAL A1423
ALA A1422
TYR A1496
TYR A1498
SER A1007
None
1.20A20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MMD_B_29EB603_1
(TRANSPORTER)		5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER
(Homo
sapiens)		6 / 12TYR A  95
ASP A  98
ALA A 169
GLY A 338
SER A 438
GLY A 442
None
1.37A31.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MMD_B_29EB603_1
(TRANSPORTER)		5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER
(Homo
sapiens)		9 / 12TYR A  95
ASP A  98
ALA A 173
TYR A 175
TYR A 176
GLY A 338
SER A 438
SER A 439
GLY A 442
None
0.82A31.21
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.
4MMD_B_29EB603_1
(TRANSPORTER)		5w1k CR1-10 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12TYR D  34
ASP D 103
SER D  33
SER D  32
GLY D  31
None
1.21A10.42
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.
4MMD_B_29EB603_1
(TRANSPORTER)		5y4d ANKYRIN-1,ANKYRIN-2,
ANKYRIN-2
(Homo
sapiens;
Mus
musculus)		5 / 12PRO A2599
VAL A2602
ALA A2603
TYR A2606
SER A2575
None
1.20A20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		5y4f ANKYRIN-2
(Homo
sapiens)		5 / 12PRO A 598
VAL A 601
ALA A 602
TYR A 605
SER A 574
None
1.14A21.68
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6f39 COMPLEMENT C1R
SUBCOMPONENT
(Homo
sapiens)		5 / 12ASP 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)
1.10A9.43