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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
1hfh FACTOR H, 15TH AND
16TH C-MODULE PAIR
(Homo
sapiens)
4 / 8HIS A  13
TYR A  34
ILE A  42
GLU A  12
None
1.36A14.56
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
1kq0 METHIONINE
AMINOPEPTIDASE 2
(Homo
sapiens)
4 / 8TRP A 419
SER A 381
ILE A 194
GLU A 201
None
1.27A19.84
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
1l8k T-CELL
PROTEIN-TYROSINE
PHOSPHATASE
(Homo
sapiens)
4 / 8SER A 202
SER A 204
HIS A 209
ILE A 172
None
1.14A21.16
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
1rpm RECEPTOR PROTEIN
TYROSINE PHOSPHATASE
MU
(Homo
sapiens)
4 / 8SER A1084
SER A 993
ILE A1037
GLU A1052
None
1.19A18.82
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens)
4 / 8SER A 483
SER A 496
TYR A 537
GLU A 486
None
None
None
NAG  A1757 (-2.7A)
1.20A20.81
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
2adu METHIONINE
AMINOPEPTIDASE 2
(Homo
sapiens)
4 / 8TRP A 419
SER A 381
ILE A 194
GLU A 201
None
1.23A22.27
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
2edj ROUNDABOUT HOMOLOG 2
(Homo
sapiens)
4 / 8SER A  85
SER A  83
ILE A  10
GLU A  87
None
1.22A13.80
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
2h31 MULTIFUNCTIONAL
PROTEIN ADE2
(Homo
sapiens)
4 / 8SER A 400
SER A 179
HIS A 396
ILE A  64
None
1.29A23.61
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
2ooq RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE T
(Homo
sapiens)
4 / 8SER A 945
SER A 949
HIS A 948
ILE A 970
None
1.16A21.88
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
2p3g MAP KINASE-ACTIVATED
PROTEIN KINASE 2
(Homo
sapiens)
4 / 8SER X 169
TYR X 194
ILE X 202
GLU X 165
None
1.36A19.19
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
2v55 RHO-ASSOCIATED
PROTEIN KINASE 1
(Homo
sapiens)
4 / 8SER A 263
SER A 242
ILE A 195
GLU A 258
None
1.32A20.26
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
3a5k TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 1
(Homo
sapiens)
4 / 8SER A 201
SER A 203
HIS A 208
ILE A 171
None
1.14A21.02
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
3thz DNA MISMATCH REPAIR
PROTEIN MSH2
(Homo
sapiens)
4 / 8SER A 738
SER A 734
ILE A 216
GLU A 731
None
1.25A18.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
4mrm GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1
(Homo
sapiens)
5 / 8TRP A  65
SER A 130
SER A 153
HIS A 170
GLU A 349
2BY  A 501 (-3.6A)
2BY  A 501 (-3.0A)
2BY  A 501 (-2.6A)
2BY  A 501 (-4.1A)
2BY  A 501 (-3.5A)
0.22A100.00
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
4q28 PERIPLAKIN
(Homo
sapiens)
4 / 8SER A1652
HIS A1650
TYR A1738
GLU A1706
None
1.36A14.50
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6
(Homo
sapiens)
4 / 8SER B1025
HIS B1205
TYR B1029
GLU B1067
None
1.12A20.73
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
5h1k GEM-ASSOCIATED
PROTEIN 5
(Homo
sapiens)
4 / 8SER A 200
HIS A 194
ILE A 253
TRP A 254
None
1.06A20.27
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
5nnz DYNEIN ASSEMBLY
FACTOR WITH WDR
REPEAT DOMAINS 1
(Homo
sapiens)
4 / 8SER B 392
HIS B 386
ILE B 413
TRP B 414
None
1.33A21.55
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)
5nuv AUTOPHAGY-RELATED
PROTEIN 16-1
(Homo
sapiens)
4 / 8TRP A 435
SER A 390
HIS A 407
ILE A 455
None
1.11A22.70