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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)
2do7 CULLIN-4B
(Homo
sapiens)
5 / 12TYR A 856
LEU A 859
PHE A 861
VAL A 863
ALA A 835
None
1.30A13.76
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)
2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens)
5 / 12LEU A 309
ALA A  79
GLU A 234
ALA A  47
THR A  48
None
1.29A23.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)
2q9g CYTOCHROME P450 46A1
(Homo
sapiens)
9 / 12PHE A  80
TYR A 109
LEU A 112
PHE A 121
VAL A 126
ALA A 302
THR A 306
ALA A 474
THR A 475
None
None
None
None
HEM  A 505 ( 3.8A)
HEM  A 505 (-3.7A)
HEM  A 505 (-3.7A)
None
None
0.87A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)
2q9g CYTOCHROME P450 46A1
(Homo
sapiens)
7 / 12PHE A  80
TYR A 109
VAL A 126
THR A 306
GLU A 472
ALA A 474
THR A 475
None
None
HEM  A 505 ( 3.8A)
HEM  A 505 (-3.7A)
None
None
None
0.86A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)
2q9g CYTOCHROME P450 46A1
(Homo
sapiens)
9 / 12TYR A 109
LEU A 112
PHE A 121
VAL A 126
ALA A 302
THR A 306
TRP A 368
ALA A 474
THR A 475
None
None
None
HEM  A 505 ( 3.8A)
HEM  A 505 (-3.7A)
HEM  A 505 (-3.7A)
None
None
None
0.67A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)
2q9g CYTOCHROME P450 46A1
(Homo
sapiens)
7 / 12TYR A 109
VAL A 126
THR A 306
TRP A 368
GLU A 472
ALA A 474
THR A 475
None
HEM  A 505 ( 3.8A)
HEM  A 505 (-3.7A)
None
None
None
None
0.77A100.00
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)
3eap RHO
GTPASE-ACTIVATING
PROTEIN 11A
(Homo
sapiens)
5 / 12LEU A  15
VAL A  23
ALA A 140
ALA A 155
THR A 156
None
1.10A20.26
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)
3eap RHO
GTPASE-ACTIVATING
PROTEIN 11A
(Homo
sapiens)
5 / 12PHE A 244
LEU A  15
ALA A 140
ALA A 155
THR A 156
None
1.23A20.26
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)
3l8j PROGRAMMED CELL
DEATH PROTEIN 10
(Homo
sapiens)
5 / 12TYR A 181
LEU A 178
PHE A 174
VAL A 190
THR A 130
None
1.25A19.11
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)
3pm0 CYTOCHROME P450 1B1
(Homo
sapiens)
5 / 12PHE A 268
PHE A 134
VAL A 235
ALA A 330
THR A 334
BHF  A 800 ( 3.8A)
BHF  A 800 (-4.8A)
None
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
1.28A25.33
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)
5dzz DESMOPLAKIN
(Homo
sapiens)
5 / 12PHE A2415
ALA A2294
THR A2298
ALA A2373
THR A2374
None
0.91A23.40
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)
5g1n CAD PROTEIN
(Homo
sapiens)
5 / 12LEU A2142
VAL A2078
ARG A2200
ALA A2135
ALA A2175
None
1.24A20.43
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)
5mwa BIFUNCTIONAL EPOXIDE
HYDROLASE 2
(Homo
sapiens)
5 / 12PHE A  86
LEU A  23
VAL A  19
THR A  50
ALA A  40
None
None
8S9  A 302 (-3.8A)
8S9  A 302 ( 4.8A)
None
1.29A10.75