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.
2YOE_C_FL7C1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
3b6v KINESIN-LIKE PROTEIN
KIF3C
(Homo
sapiens)
4 / 8GLY A 240
ILE A 219
VAL A 175
THR A  92
None
0.96A21.74
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.
2YOE_C_FL7C1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
3ff6 ACETYL-COA
CARBOXYLASE 2
(Homo
sapiens)
4 / 8GLY A1803
ILE A1717
VAL A1749
SER A1801
None
0.77A16.06
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.
2YOE_C_FL7C1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
3kys TRANSCRIPTIONAL
ENHANCER FACTOR
TEF-1
(Homo
sapiens)
4 / 8GLY A 400
ILE A 351
VAL A 293
SER A 395
None
0.89A21.43
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.
2YOE_C_FL7C1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
3no8 BTB/POZ
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens)
4 / 8GLY A 510
ASN A 509
VAL A 420
TYR A 418
None
0.90A18.51
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.
2YOE_C_FL7C1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
4asi ACETYL-COA
CARBOXYLASE 1
(Homo
sapiens)
4 / 8GLY A1729
ILE A1635
VAL A1675
SER A1727
None
0.89A16.60
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.
2YOE_C_FL7C1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
4cg4 PYRIN
(Homo
sapiens)
4 / 8GLY A 660
ILE A 720
VAL A 775
TYR A 654
None
0.87A20.10
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.
2YOE_C_FL7C1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
5ei0 SERPIN A12
(Homo
sapiens)
4 / 8GLY A 135
VAL A 353
SER A 133
THR A 185
None
0.92A20.81
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.
2YOE_C_FL7C1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2
(Homo
sapiens)
4 / 8GLY A1105
ASN A1106
ILE A1119
VAL A1032
None
0.75A21.64
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.
2YOE_C_FL7C1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
6en4 SPLICING FACTOR 3B
SUBUNIT 1
(Homo
sapiens)
4 / 8GLY C1089
ILE C1158
VAL C1114
TYR C1157
None
0.88A14.77
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.
2YOE_C_FL7C1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
6f9n CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 1
(Homo
sapiens)
4 / 8GLY A 389
ASN A 509
ILE A 344
SER A 391
None
0.89A13.07