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.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)
1p22 F-BOX/WD-REPEAT
PROTEIN 1A
SKP1
(Homo
sapiens;
Homo
sapiens)
5 / 11VAL A 175
THR B 117
PHE B 118
ILE B  83
VAL B 102
None
1.21A20.99
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.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)
4fys AMINOPEPTIDASE N
(Homo
sapiens)
5 / 11ASN A 365
VAL A 360
THR A 321
THR A 384
VAL A 382
None
1.32A21.66
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.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)
5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL
(Homo
sapiens)
5 / 11THR A   8
VAL A  41
THR A  90
ILE A 251
VAL A 256
None
1.39A21.18
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.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)
6eti ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2
(Homo
sapiens)
5 / 11PHE A 439
THR A 542
ILE A 543
VAL A 546
MET A 549
BWQ  A1101 (-4.0A)
None
None
None
BWQ  A1101 (-4.1A)
0.74Aundetectable
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.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)
6eti ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2
(Homo
sapiens)
5 / 11THR A 435
PHE A 439
THR A 542
ILE A 543
VAL A 546
BWQ  A1101 (-4.3A)
BWQ  A1101 (-4.0A)
None
None
None
0.54Aundetectable