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.
4OQR_A_2UOA502_1
(CYP105AS1)		2nnj CYTOCHROME P450 2C8
(Homo
sapiens)		5 / 9VAL A  83
VAL A 370
ALA A 369
THR A 386
ALA A 389
None
1.18A24.54
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.
4OQR_A_2UOA502_1
(CYP105AS1)		4ldq METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE
(Homo
sapiens)		5 / 9ILE A 143
VAL A 184
ALA A 181
THR A 166
ALA A 242
None
1.31A23.67
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.
4OQR_A_2UOA502_1
(CYP105AS1)		4ldq METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE
(Homo
sapiens)		5 / 9VAL A 155
ILE A 143
ALA A 181
THR A 166
ALA A 242
None
1.14A23.67
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.
4OQR_A_2UOA502_1
(CYP105AS1)		4q6r SPHINGOSINE-1-PHOSPH
ATE LYASE 1
(Homo
sapiens)		5 / 9PRO A 288
ILE A 424
ALA A 427
VAL A 442
ALA A 452
None
1.31A21.72
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.
4OQR_A_2UOA502_1
(CYP105AS1)		4rcd BETA-SECRETASE 1
(Homo
sapiens)		5 / 9VAL A  95
ILE A 118
VAL A  40
ALA A  39
ALA A  97
None
3LL  A 501 (-4.6A)
None
None
None
1.29A22.15
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ej2 BETA-SECRETASE 1
(Homo
sapiens)		5 / 9VAL A 504
ILE A 527
VAL A 449
ALA A 448
ALA A 506
None
B7E  A 901 (-4.4A)
None
None
None
1.19A12.69