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.
6CGD_A_AKNA600_1
(BIFUNCTIONAL AAC/APH)		1jj7 PEPTIDE TRANSPORTER
TAP1
(Homo
sapiens)		5 / 10GLY A 538
ASP A 668
ASP A 667
VAL A 681
GLU A 682
None
None
MG  A 902 ( 4.1A)
None
None
1.45A13.87
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.
6CGD_A_AKNA600_1
(BIFUNCTIONAL AAC/APH)		6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3
(Homo
sapiens)		5 / 10GLY A 484
ASP A 167
ASP A 325
TYR A 320
GLU A 275
None
ZN  A 902 (-2.0A)
ZN  A 901 ( 2.1A)
None
None
1.42A13.25