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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)
2q3h RAS HOMOLOG GENE
FAMILY, MEMBER U
(Homo
sapiens)
5 / 11VAL A  66
THR A  70
VAL A  55
ALA A  88
VAL A 214
None
1.13A18.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)
4gbr BETA-2 ADRENERGIC
RECEPTOR
(Homo
sapiens)
5 / 11ASP A 113
VAL A 114
THR A 118
PHE A 261
TYR A 288
CAU  A 500 (-3.0A)
CAU  A 500 (-3.5A)
CAU  A 500 ( 4.7A)
CAU  A 500 (-4.2A)
CAU  A 500 (-4.6A)
0.84A30.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562
(Escherichia
coli;
Homo
sapiens)
10 / 11ASP A 135
VAL A 136
SER A 139
THR A 140
VAL A 208
LEU A 209
ALA A 225
PHE A 340
VAL A 366
TYR A 370
ERM  A2001 (-3.2A)
ERM  A2001 (-3.8A)
ERM  A2001 (-3.6A)
ERM  A2001 (-3.9A)
ERM  A2001 (-4.0A)
ERM  A2001 (-3.7A)
ERM  A2001 (-3.4A)
ERM  A2001 (-4.3A)
ERM  A2001 ( 4.2A)
ERM  A2001 ( 4.8A)
0.41A99.76
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR
(Homo
sapiens;
Escherichia
virus
T4)
5 / 11ASP A1113
VAL A1114
THR A1118
PHE A1289
TYR A1316
P0G  A1401 (-2.9A)
P0G  A1401 (-3.7A)
None
P0G  A1401 ( 4.7A)
None
0.47A25.51
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)
4piv FATTY ACID SYNTHASE
(Homo
sapiens)
5 / 11VAL A1245
LEU A1342
ALA A1303
VAL A1242
TYR A1270
None
1.08A20.84
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)
5i8k HHH1 FAB LIGHT CHAIN
(Homo
sapiens)
5 / 11VAL L  11
SER L  10
THR L 105
VAL L  15
LEU L  80
None
1.21A20.54
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)
5m23 WD REPEAT-CONTAINING
PROTEIN 5
(Homo
sapiens)
5 / 11ASP A  92
SER A  50
VAL A 145
ALA A 308
PHE A 219
7DC  A 401 ( 4.3A)
None
None
None
None
1.32A19.92
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B
(Spodoptera
frugiperda;
Homo
sapiens)
5 / 11ASP A 129
THR A 134
ALA A 216
PHE A 330
TYR A 359
89F  A1201 (-3.3A)
89F  A1201 (-4.2A)
89F  A1201 ( 3.9A)
89F  A1201 (-4.1A)
None
0.69Aundetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)
5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA
(Escherichia
coli;
Homo
sapiens)
6 / 11ASP A 115
VAL A 116
THR A 120
LEU A 187
PHE A 410
TYR A 438
AQD  A1201 (-3.3A)
AQD  A1201 ( 3.9A)
AQD  A1201 (-4.4A)
AQD  A1201 (-4.5A)
AQD  A1201 (-4.7A)
None
0.84A50.93
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)
6bdz DISINTEGRIN AND
METALLOPROTEINASE
DOMAIN-CONTAINING
PROTEIN 10
(Homo
sapiens)
5 / 11VAL A 385
VAL A 272
LEU A 224
ALA A 331
PHE A 318
None
1.35Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562
(Escherichia
coli;
Homo
sapiens)
9 / 11ASP A 134
VAL A 135
SER A 138
THR A 139
LEU A 209
ALA A 222
PHE A 327
VAL A 354
TYR A 358
E2J  A1201 (-3.0A)
E2J  A1201 (-3.8A)
E2J  A1201 (-3.2A)
E2J  A1201 (-4.3A)
None
E2J  A1201 ( 3.8A)
E2J  A1201 (-4.6A)
E2J  A1201 (-4.6A)
None
0.88Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562
(Escherichia
coli;
Homo
sapiens)
7 / 11ASP A 134
VAL A 135
SER A 138
THR A 139
VAL A 208
LEU A 209
ALA A 222
E2J  A1201 (-3.0A)
E2J  A1201 (-3.8A)
E2J  A1201 (-3.2A)
E2J  A1201 (-4.3A)
None
None
E2J  A1201 ( 3.8A)
0.87Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)
6g79 5-HYDROXYTRYPTAMINE
RECEPTOR 1B
(Homo
sapiens)
5 / 11ASP S 129
THR S 134
ALA S 216
PHE S 330
TYR S 359
EP5  S 401 (-3.3A)
EP5  S 401 (-3.8A)
EP5  S 401 ( 4.0A)
EP5  S 401 (-4.0A)
EP5  S 401 ( 4.9A)
0.45Aundetectable