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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		2ctj VIGILIN
(Homo
sapiens)		5 / 10ILE A  42
ALA A  75
VAL A  63
ILE A  23
VAL A  21
None
1.03A13.95
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		2fy2 CHOLINE
O-ACETYLTRANSFERASE
(Homo
sapiens)		5 / 10ILE A 575
LEU A 572
ALA A 562
VAL A 593
ILE A 571
None
1.06A21.00
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		2rmn TUMOR PROTEIN 63
(Homo
sapiens)		5 / 10LEU A 288
ALA A 188
VAL A 263
ILE A 174
VAL A 140
None
0.95A17.43
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		2wpm COAGULATION FACTOR
IXA HEAVY CHAIN
(Homo
sapiens)		5 / 10ILE S 123
LEU S 105
VAL S  47
VAL S 231
ILE S 103
None
0.98A20.67
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1
(Homo
sapiens)		5 / 10ILE A 346
ALA A 343
VAL A 369
ILE A 367
VAL A 334
None
1.06A20.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		3e4e CYTOCHROME P450 2E1
(Homo
sapiens)		5 / 10ILE A 115
ALA A 299
THR A 303
VAL A 364
PRO A 369
HEM  A 500 (-4.0A)
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
HEM  A 500 ( 4.4A)
None
0.69A59.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		3e4e CYTOCHROME P450 2E1
(Homo
sapiens)		5 / 10ILE A 115
LEU A 210
ALA A 299
THR A 303
PRO A 369
HEM  A 500 (-4.0A)
None
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
None
1.01A59.12
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		3qyn TUMOR PROTEIN 63
(Homo
sapiens)		5 / 10LEU A 288
ALA A 188
VAL A 263
ILE A 174
VAL A 140
None
0.97A15.93
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		4ixu ARGINASE-2,
MITOCHONDRIAL
(Homo
sapiens)		5 / 10ILE A 252
LEU A 248
VAL A 318
ALA A 315
VAL A 114
None
0.94A19.51
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		4kbo STRESS-70 PROTEIN,
MITOCHONDRIAL
(Homo
sapiens)		5 / 10ILE A 124
ALA A 204
VAL A 219
VAL A 193
ILE A 191
None
1.05A21.64
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		4ole NEXT TO BRCA1 GENE 1
PROTEIN
(Homo
sapiens)		5 / 10VAL A 472
VAL A 429
VAL A 431
PRO A 432
VAL A 444
None
1.06A14.16
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		4wmy INTELECTIN-1
(Homo
sapiens)		5 / 10ILE A 149
ALA A 252
VAL A 209
ILE A 207
VAL A 206
None
1.06A18.95
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		5uj8 ORIGIN RECOGNITION
COMPLEX SUBUNIT 2
(Homo
sapiens)		5 / 10ILE E 408
LEU E 390
VAL E 351
THR E 356
ILE E 418
None
1.01A22.20
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		5vcs ALPHA-1,6-MANNOSYL-G
LYCOPROTEIN
2-BETA-N-ACETYLGLUCO
SAMINYLTRANSFERASE
(Homo
sapiens)		5 / 10LEU A 256
VAL A 364
VAL A 366
PRO A 367
VAL A 288
None
1.00A12.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		5wbg CYTOCHROME P450 2B6
(Homo
sapiens)		5 / 10ILE A 114
ALA A 298
THR A 302
VAL A 367
PRO A 368
9ZJ  A 502 ( 3.6A)
9ZJ  A 502 ( 3.5A)
9ZJ  A 502 ( 3.9A)
9ZJ  A 502 ( 4.2A)
None
0.65A61.25
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6b73 SOLUBLE CYTOCHROME
B562, KAPPA-TYPE
OPIOID RECEPTOR
(Escherichia
coli;
Homo
sapiens)		5 / 10LEU A 149
VAL A 282
ALA A 281
ILE A 242
VAL A 239
None
1.05A11.26