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.
3MDR_A_GJZA506_1
(CHOLESTEROL
24-HYDROXYLASE)		2d86 VAV-3 PROTEIN
(Homo
sapiens)		4 / 6PHE A  93
ILE A 127
ALA A 128
THR A 131
None
0.96A16.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MDR_A_GJZA506_1
(CHOLESTEROL
24-HYDROXYLASE)		2q9g CYTOCHROME P450 46A1
(Homo
sapiens)		6 / 6LEU A 112
PHE A 121
ILE A 301
ALA A 302
THR A 306
THR A 475
None
None
None
HEM  A 505 (-3.7A)
HEM  A 505 (-3.7A)
None
0.60A100.00
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.
3MDR_A_GJZA506_1
(CHOLESTEROL
24-HYDROXYLASE)		3b6y GAMMA-INTERFERON-IND
UCIBLE PROTEIN
IFI-16
(Homo
sapiens)		4 / 6PHE A 168
ILE A 188
THR A 153
THR A 133
None
1.03A19.68
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.
3MDR_A_GJZA506_1
(CHOLESTEROL
24-HYDROXYLASE)		3c6g CYTOCHROME P450 2R1
(Homo
sapiens)		4 / 6ILE A 309
ALA A 310
THR A 314
THR A 488
None
HEM  A 601 (-3.3A)
HEM  A 601 (-3.4A)
VD3  A 701 ( 4.6A)
0.42A27.25
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.
3MDR_A_GJZA506_1
(CHOLESTEROL
24-HYDROXYLASE)		3d34 SPONDIN-2
(Homo
sapiens)		4 / 6PHE A  98
ILE A  19
ALA A 112
THR A 110
None
1.12A19.04
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.
3MDR_A_GJZA506_1
(CHOLESTEROL
24-HYDROXYLASE)		3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens)		4 / 6LEU A 459
PHE A 585
ILE A 437
ALA A 438
None
1.08A19.67
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.
3MDR_A_GJZA506_1
(CHOLESTEROL
24-HYDROXYLASE)		3ow8 WD REPEAT-CONTAINING
PROTEIN 61
(Homo
sapiens)		4 / 6LEU A 121
PHE A 114
ILE A  78
ALA A  79
None
0.89A19.23
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.
3MDR_A_GJZA506_1
(CHOLESTEROL
24-HYDROXYLASE)		4jkg PRE-MRNA-PROCESSING-
SPLICING FACTOR 8
(Homo
sapiens)		4 / 6LEU B1817
ILE B1807
ALA B1806
THR B1783
None
0.84A19.87
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.
3MDR_A_GJZA506_1
(CHOLESTEROL
24-HYDROXYLASE)		4ol0 TRANSPORTIN-3
(Homo
sapiens)		4 / 6ILE B 781
ALA B 782
THR B 785
THR B 840
None
1.11A21.18
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.
3MDR_A_GJZA506_1
(CHOLESTEROL
24-HYDROXYLASE)		5fql IDURONATE-2-SULFATAS
E
(Homo
sapiens)		4 / 6LEU A 377
PHE A 378
ILE A 329
THR A 367
None
1.13A21.78
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.
3MDR_A_GJZA506_1
(CHOLESTEROL
24-HYDROXYLASE)		5vhj 26S PROTEASOME
REGULATORY SUBUNIT 4
(Homo
sapiens)		4 / 6LEU B 341
ILE B 290
ALA B 289
THR B 331
None
1.08A19.35
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.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		1f59 IMPORTIN BETA-1
(Homo
sapiens)		4 / 6ILE A 371
ALA A 386
ALA A 428
THR A 431
None
0.91A23.58
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.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		1zef ALKALINE PHOSPHATASE
(Homo
sapiens)		4 / 6ALA A  51
THR A  48
ALA A 327
THR A 331
None
1.08A23.76
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.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1
(Homo
sapiens)		4 / 6PHE A 310
ILE A 296
ALA A 297
ALA A 305
None
0.91A21.09
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.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		2d86 VAV-3 PROTEIN
(Homo
sapiens)		4 / 6PHE A  93
ILE A 127
ALA A 128
THR A 131
None
0.99A16.97
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.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		2okj GLUTAMATE
DECARBOXYLASE 1
(Homo
sapiens)		4 / 6ILE A 254
ALA A 253
ALA A 375
THR A 400
None
LLP  A 405 ( 3.4A)
LLP  A 405 ( 3.6A)
None
1.03A21.47
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.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		2okk GLUTAMATE
DECARBOXYLASE 2
(Homo
sapiens)		4 / 6ILE A 245
ALA A 244
ALA A 366
THR A 391
None
LLP  A 396 ( 3.3A)
LLP  A 396 ( 3.5A)
None
0.99A20.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		2q9g CYTOCHROME P450 46A1
(Homo
sapiens)		6 / 6PHE A 121
ILE A 301
ALA A 302
THR A 306
ALA A 367
THR A 475
None
None
HEM  A 505 (-3.7A)
HEM  A 505 (-3.7A)
HEM  A 505 (-3.5A)
None
0.52A100.00
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.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		2qna IMPORTIN SUBUNIT
BETA-1
(Homo
sapiens)		4 / 6ILE A 371
ALA A 386
ALA A 428
THR A 431
None
0.83A20.88
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.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		2z6h CATENIN BETA-1
(Homo
sapiens)		4 / 6ILE A 465
ALA A 464
THR A 450
ALA A 446
None
1.09A21.20
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.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		3b6y GAMMA-INTERFERON-IND
UCIBLE PROTEIN
IFI-16
(Homo
sapiens)		4 / 6PHE A 168
ILE A 188
THR A 153
THR A 133
None
1.04A19.68
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.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		3c6g CYTOCHROME P450 2R1
(Homo
sapiens)		4 / 6ILE A 309
ALA A 310
THR A 314
THR A 488
None
HEM  A 601 (-3.3A)
HEM  A 601 (-3.4A)
VD3  A 701 ( 4.6A)
0.41A27.25
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.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		3sh5 LG3 PEPTIDE
(Homo
sapiens)		4 / 6PHE A  18
ILE A 138
ALA A 188
THR A 190
None
1.08A20.70
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.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		4b3g DNA-BINDING PROTEIN
SMUBP-2
(Homo
sapiens)		4 / 6PHE A 579
ALA A 600
THR A 602
ALA A 452
None
1.05A22.84
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.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		4bej DYNAMIN 1-LIKE
PROTEIN
(Homo
sapiens)		4 / 6ILE A 199
ALA A 196
ALA A 212
THR A 210
None
1.01A23.35
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.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		5mju EXCITATORY AMINO
ACID TRANSPORTER
1,NEUTRAL AMINO ACID
TRANSPORTER
B(0),EXCITATORY
AMINO ACID
TRANSPORTER 1
(Homo
sapiens)		4 / 6ALA A 335
THR A 338
ALA A 269
THR A  54
None
0.97A23.61