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.
6H1L_A_FJQA501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		2q9g CYTOCHROME P450 46A1
(Homo
sapiens)		6 / 10PHE A 121
VAL A 126
ILE A 301
ALA A 302
THR A 306
ALA A 367
None
HEM  A 505 ( 3.8A)
None
HEM  A 505 (-3.7A)
HEM  A 505 (-3.7A)
HEM  A 505 (-3.5A)
0.41A26.28
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.
6H1L_A_FJQA501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		3zjc GTPASE IMAP FAMILY
MEMBER 7
(Homo
sapiens)		5 / 10ALA A  94
VAL A 128
VAL A  98
THR A  27
LEU A 185
None
1.12A22.37
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.
6H1L_A_FJQA501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		4r14 COP9 SIGNALOSOME
COMPLEX SUBUNIT 6
(Homo
sapiens)		5 / 10ALA A  42
LEU A  43
VAL A  47
ILE A  73
LEU A 122
None
1.33A16.13
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.
6H1L_A_FJQA501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		5gwj DNA TOPOISOMERASE
2-BETA
(Homo
sapiens)		5 / 10ALA A 999
VAL A1004
PHE A1005
ILE A 970
THR A 989
None
1.36A21.48
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.
6H1L_A_FJQA501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		5l7d SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG
(Escherichia
coli;
Homo
sapiens)		5 / 10ALA A1050
LEU A1053
PHE A1080
ILE A1117
LEU A1025
None
1.42A21.43
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.
6H1L_A_FJQA501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		5veu CYTOCHROME P450 3A5
(Homo
sapiens)		5 / 10LEU A 236
VAL A 238
VAL A 232
ILE A 223
LEU A 219
None
1.31A29.60
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.
6H1L_A_FJQA501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		6c3p ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8
(Homo
sapiens)		5 / 10ALA E1302
VAL E1298
ILE E1177
ALA E1184
LEU E1247
None
1.28Aundetectable
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.
6H1L_B_FJQB501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		1olx 2-OXOISOVALERATE
DEHYDROGENASE BETA
SUBUNIT
(Homo
sapiens)		5 / 11ALA B  87
LEU B 130
THR B 131
ILE B  43
THR B  72
None
None
K  B 502 (-4.4A)
None
None
1.19A23.06
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.
6H1L_B_FJQB501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		2q9g CYTOCHROME P450 46A1
(Homo
sapiens)		6 / 11PHE A 121
VAL A 126
ILE A 301
ALA A 302
THR A 306
ALA A 367
None
HEM  A 505 ( 3.8A)
None
HEM  A 505 (-3.7A)
HEM  A 505 (-3.7A)
HEM  A 505 (-3.5A)
0.40A26.28
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.
6H1L_B_FJQB501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		2qym PHOSPHODIESTERASE 4C
(Homo
sapiens)		5 / 11LEU A 405
VAL A 409
THR A 505
ALA A 514
THR A 300
None
1.28A21.46
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.
6H1L_B_FJQB501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		3b7y E3 UBIQUITIN-PROTEIN
LIGASE NEDD4
(Homo
sapiens)		5 / 11LEU A 231
VAL A 206
VAL A 191
ALA A 127
LEU A 246
None
1.10A17.21
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.
6H1L_B_FJQB501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		3ep7 S-ADENOSYLMETHIONINE
DECARBOXYLASE ALPHA
CHAIN
(Homo
sapiens)		5 / 11VAL A 274
PHE A 275
ILE A 242
THR A 257
LEU A 212
None
1.02A21.68
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.
6H1L_B_FJQB501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		3ikm DNA POLYMERASE
SUBUNIT GAMMA-1
(Homo
sapiens)		5 / 11ALA A 425
LEU A 428
VAL A 266
ALA A 153
LEU A 151
None
1.26A17.83
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.
6H1L_B_FJQB501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		3zjc GTPASE IMAP FAMILY
MEMBER 7
(Homo
sapiens)		5 / 11ALA A  94
VAL A 128
VAL A  98
THR A  27
LEU A 185
None
1.11A22.37
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.
6H1L_B_FJQB501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		4m0p RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE 1
(Homo
sapiens)		5 / 11ALA A 241
LEU A 237
VAL A 244
PHE A 266
ILE A 229
None
1.22A24.10
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.
6H1L_B_FJQB501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens)		5 / 11LEU A 251
VAL A 172
THR A 204
ALA A 244
ALA A 232
None
1.04A20.44
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.
6H1L_B_FJQB501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		5iaa UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 5
(Homo
sapiens)		5 / 11LEU A 273
VAL A 269
ILE A  78
ALA A  77
LEU A  92
None
0.99A21.52
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.
6H1L_B_FJQB501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		5lpe KALLIKREIN-10
(Homo
sapiens)		5 / 11VAL A 217
THR A 144
ALA A  43
THR A  54
LEU A 213
SO4  A 301 (-4.1A)
None
None
None
None
1.21A18.88
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.
6H1L_B_FJQB501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		5v44 SACSIN
(Homo
sapiens)		5 / 11ALA A 303
LEU A 307
VAL A 306
VAL A 313
ALA A 121
None
1.04A21.41