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.
3S7S_A_EXMA601_1
(CYTOCHROME P450 19A1)		3e4e CYTOCHROME P450 2E1
(Homo
sapiens)		5 / 9ARG A 100
ILE A 115
ALA A 299
THR A 303
VAL A 364
HEM  A 500 (-2.4A)
HEM  A 500 (-4.0A)
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
HEM  A 500 ( 4.4A)
0.62A26.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S7S_A_EXMA601_1
(CYTOCHROME P450 19A1)		4kq8 CYTOCHROME P450 19A1
(Homo
sapiens)		9 / 9ARG A 115
ILE A 133
TRP A 224
ALA A 306
ASP A 309
THR A 310
VAL A 370
MET A 374
LEU A 477
HEM  A 601 ( 2.6A)
ASD  A 602 (-4.0A)
None
HEM  A 601 ( 3.6A)
ASD  A 602 (-3.8A)
ASD  A 602 (-3.9A)
HEM  A 601 (-4.4A)
ASD  A 602 (-4.3A)
ASD  A 602 (-4.5A)
0.24A92.05