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.
5XPR_A_K86A1201_1
(ENDOTHELIN B
RECEPTOR,ENDOLYSIN,E
NDOTHELIN B RECEPTOR)
2p3g MAP KINASE-ACTIVATED
PROTEIN KINASE 2
(Homo
sapiens)
5 / 12VAL X 187
LEU X 177
HIS X 178
ILE X 117
ALA X 173
None
1.47A21.31
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.
5XPR_A_K86A1201_1
(ENDOTHELIN B
RECEPTOR,ENDOLYSIN,E
NDOTHELIN B RECEPTOR)
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens)
5 / 12VAL A 167
LEU A 157
HIS A 158
ILE A  97
ALA A 153
None
1.47A21.23
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.
5XPR_A_K86A1201_1
(ENDOTHELIN B
RECEPTOR,ENDOLYSIN,E
NDOTHELIN B RECEPTOR)
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3
(Homo
sapiens)
5 / 12GLN A 351
LEU B 246
ARG A 317
ILE B 226
ALA B 229
None
1.34A21.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XPR_A_K86A1201_1
(ENDOTHELIN B
RECEPTOR,ENDOLYSIN,E
NDOTHELIN B RECEPTOR)
5gli ENDOTHELIN RECEPTOR
SUBTYPE-B
(Homo
sapiens)
7 / 12VAL A 185
LYS A 273
TRP A 336
LEU A 339
ARG A 343
ILE A 372
ALA A 375
None
0.93A99.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XPR_A_K86A1201_1
(ENDOTHELIN B
RECEPTOR,ENDOLYSIN,E
NDOTHELIN B RECEPTOR)
5gli ENDOTHELIN RECEPTOR
SUBTYPE-B
(Homo
sapiens)
7 / 12VAL A 185
LYS A 273
TRP A 336
LEU A 339
HIS A 340
ILE A 372
ALA A 375
None
0.79A99.78
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.
5XPR_A_K86A1201_1
(ENDOTHELIN B
RECEPTOR,ENDOLYSIN,E
NDOTHELIN B RECEPTOR)
5n2s SOLUBLE CYTOCHROME
B562,ADENOSINE
RECEPTOR A1
(Escherichia
coli;
Homo
sapiens)
5 / 12TRP A1352
LEU A1355
HIS A1356
ILE A1379
ALA A1382
None
8K8  A2001 ( 4.3A)
8K8  A2001 ( 4.1A)
8K8  A2001 ( 4.2A)
None
0.54A24.62
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.
5XPR_A_K86A1201_1
(ENDOTHELIN B
RECEPTOR,ENDOLYSIN,E
NDOTHELIN B RECEPTOR)
5nv6 TRANSFORMING GROWTH
FACTOR-BETA-INDUCED
PROTEIN IG-H3
(Homo
sapiens)
5 / 12HIS A 174
VAL A 235
LEU A 156
LEU A 167
ALA A 170
None
1.47A22.32
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.
5XPR_A_K86A1201_1
(ENDOTHELIN B
RECEPTOR,ENDOLYSIN,E
NDOTHELIN B RECEPTOR)
6chd LYSINE--TRNA LIGASE
(Homo
sapiens)
5 / 12GLN A 515
VAL A 279
LEU A 472
ILE A 468
ALA A 441
None
1.33A13.11
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.
5XPR_A_K86A1201_1
(ENDOTHELIN B
RECEPTOR,ENDOLYSIN,E
NDOTHELIN B RECEPTOR)
6gru ADP-SUGAR
PYROPHOSPHATASE
(Homo
sapiens)
5 / 12VAL A 193
LEU A 185
LEU A 178
ILE A  77
ALA A 201
None
1.39A11.08
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.
5XPR_A_K86A1201_2
(ENDOTHELIN B
RECEPTOR,ENDOLYSIN,E
NDOTHELIN B RECEPTOR)
4krf PROTEIN ARGONAUTE-1
(Homo
sapiens)
4 / 4ASP A 667
PRO A 670
GLU A 671
TYR A 764
None
1.34A19.19