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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
1fgg GLUCURONYLTRANSFERAS
E I
(Homo
sapiens)
4 / 6HIS A 308
ALA A 254
ALA A 193
THR A  81
UNX  A 338 ( 3.2A)
None
None
None
0.93A21.28
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
1v84 GALACTOSYLGALACTOSYL
XYLOSYLPROTEIN
3-BETA-GLUCURONOSYLT
RANSFERASE 1
(Homo
sapiens)
4 / 6HIS A 311
ALA A 256
ALA A 194
THR A  90
UDP  A 503 (-4.2A)
None
None
None
0.93A20.96
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
3ow8 WD REPEAT-CONTAINING
PROTEIN 61
(Homo
sapiens)
4 / 6ALA A  86
ALA A 109
THR A 123
PHE A 133
None
1.05A20.67
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
3ow8 WD REPEAT-CONTAINING
PROTEIN 61
(Homo
sapiens)
4 / 6HIS A  87
ALA A 109
THR A 123
PHE A 133
None
1.06A20.67
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
3rzu STAM-BINDING PROTEIN
(Homo
sapiens)
4 / 6GLN A 304
ALA A 273
THR A 336
PHE A 267
None
1.04A17.85
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
3rzv STAM-BINDING PROTEIN
(Homo
sapiens)
4 / 6GLN A 304
ALA A 273
THR A 336
PHE A 267
None
1.03A19.07
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
4cby HISTONE DEACETYLASE
4
(Homo
sapiens)
4 / 6GLN A 959
ALA A 905
ALA A 909
THR A 913
None
0.49A21.29
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
4d0p COP9 SIGNALOSOME
COMPLEX SUBUNIT 4
(Homo
sapiens)
4 / 6GLN A 289
ALA A 225
ALA A 229
THR A 233
None
0.86A22.65
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
4wj7 MALCAVERNIN
(Homo
sapiens)
4 / 6HIS A 137
ALA A 158
ALA A 140
PHE A 217
None
0.96A19.07
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
5brr TISSUE-TYPE
PLASMINOGEN
ACTIVATOR
(Homo
sapiens)
4 / 6GLN E  30
ALA E  55
ALA E 195
PHE E  40
None
0.92A20.61
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
5van BETA-KLOTHO
(Homo
sapiens)
4 / 6ALA A 371
ALA A 415
THR A 458
PHE A 148
None
0.82A10.22
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
5wbg CYTOCHROME P450 2B6
(Homo
sapiens)
4 / 6HIS A 397
ALA A 425
THR A 423
PHE A 413
None
0.98A13.16
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
1d5f E6AP HECT CATALYTIC
DOMAIN, E3 LIGASE
(Homo
sapiens)
5 / 8MET A 802
LEU A 835
ILE A 770
LEU A 839
LEU A 826
None
1.41A21.48
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
1fuj PR3
(Homo
sapiens)
5 / 8LEU A  59
GLN A  63
LEU A  33
THR A  54
LEU A 104
None
1.37A19.07
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
1h4o PEROXIREDOXIN 5
(Homo
sapiens)
5 / 8HIS A  51
LEU A 161
GLN A 160
ILE A 158
LEU A  62
None
1.29A15.94
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
1pbw PHOSPHATIDYLINOSITOL
3-KINASE
(Homo
sapiens)
4 / 8GLN A 241
ILE A 227
LEU A 223
LEU A 293
None
0.75A20.63
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
1sqw SACCHAROMYCES
CEREVISIAE NIP7P
HOMOLOG
(Homo
sapiens)
4 / 8HIS A 175
LEU A 141
ILE A 139
LEU A 108
None
0.79A19.65
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
1w45 ANNEXIN A8
(Homo
sapiens)
4 / 8LEU A  30
ILE A  44
LEU A  48
LEU A  71
None
0.77A21.11
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
1w45 ANNEXIN A8
(Homo
sapiens)
4 / 8LEU A 102
ILE A 116
LEU A 120
LEU A 143
None
0.78A21.11
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1
(Homo
sapiens)
5 / 8LEU A1051
ILE A1094
LEU A1136
THR A1024
LEU A1043
None
1.24A17.38
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
2boa CARBOXYPEPTIDASE A4
(Homo
sapiens)
5 / 8LEU A1064
ILE A1193
LEU A1297
THR A1082
LEU A1107
None
1.42A19.96
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
2bv5 TYROSINE-PROTEIN
PHOSPHATASE,
NON-RECEPTOR TYPE 5
(Homo
sapiens)
5 / 8HIS A 471
LEU A 418
ILE A 416
LEU A 427
THR A 368
SCY  A 472 ( 4.2A)
None
None
None
None
1.39A19.71
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
2id5 LEUCINE RICH REPEAT
NEURONAL 6A
(Homo
sapiens)
4 / 8LEU A 274
ILE A 277
LEU A 253
LEU A 271
None
0.81A24.40
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
2km6 NACHT, LRR AND PYD
DOMAINS-CONTAINING
PROTEIN 7
(Homo
sapiens)
5 / 8MET A  93
LEU A  19
LEU A  16
THR A  73
LEU A  77
None
1.45A14.53
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
2n1g DNA REPAIR PROTEIN
REV1
(Homo
sapiens)
4 / 8LEU A1248
ILE A1210
LEU A1206
LEU A1240
None
0.80A16.72
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
2pcu CARBOXYPEPTIDASE A4
(Homo
sapiens)
5 / 8LEU A  64
ILE A 193
LEU A 297
THR A  82
LEU A 107
None
1.46A20.28
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)
2q8h [PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 1
(Homo
sapiens)
4 / 8LEU A  83
ILE A 191
LEU A 195
LEU A 121
None
TF4  A 438 (-3.4A)
None
None
0.76A20.90
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)
1b4q PROTEIN (HUMAN
THIOLTRANSFERASE)
(Homo
sapiens)
5 / 9LEU A  42
VAL A  16
ILE A  31
ALA A  28
GLU A  30
None
1.15A13.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)
2q9g CYTOCHROME P450 46A1
(Homo
sapiens)
9 / 9LEU A 112
PHE A 121
VAL A 126
LEU A 219
ILE A 301
ALA A 302
GLU A 305
ALA A 474
THR A 475
None
None
HEM  A 505 ( 3.8A)
None
None
HEM  A 505 (-3.7A)
None
None
None
0.42A100.00
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)
2vpk MYONEURIN
(Homo
sapiens)
5 / 9LEU A  76
PHE A  73
VAL A  68
LEU A  42
ILE A  28
None
1.12A15.87
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)
3cqg NUCLEAR PORE COMPLEX
PROTEIN NUP107
(Homo
sapiens)
5 / 9LEU A 736
LEU A 689
ILE A 720
ALA A 721
ALA A 686
None
1.12A22.67
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)
3ifq PLAKOGLOBIN
(Homo
sapiens)
5 / 9LEU A 497
LEU A 459
ILE A 485
ALA A 484
ALA A 455
None
1.13A23.27
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)
3t1p ALPHA-1-ANTITRYPSIN
(Homo
sapiens)
5 / 9LEU A  77
LEU A  30
ILE A  26
ALA A  58
THR A  59
None
1.04A22.04
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)
4i6j F-BOX/LRR-REPEAT
PROTEIN 3
(Homo
sapiens)
6 / 9LEU B 144
PHE B 115
VAL B 117
ILE B 130
ALA B 126
ALA B 163
None
1.13A21.81
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)
4nho PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX23
(Homo
sapiens)
5 / 9PHE A 445
VAL A 603
LEU A 480
GLU A 550
ALA A 475
None
1.10A22.94
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
(Homo
sapiens)
5 / 9LEU C1254
VAL C1337
LEU C1242
ILE C1301
ALA C1302
None
1.08A7.99
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE
(Homo
sapiens)
6 / 12LEU A  22
PHE A  30
VAL A  86
THR A   3
ALA A 243
THR A 242
None
1.48A22.44
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)
2oew PROGRAMMED CELL
DEATH 6-INTERACTING
PROTEIN
(Homo
sapiens)
5 / 12LEU A  65
LEU A 124
ILE A 347
THR A 341
ALA A 128
None
0.92A22.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)
2q9g CYTOCHROME P450 46A1
(Homo
sapiens)
12 / 12LEU A 112
PHE A 121
VAL A 126
LEU A 219
THR A 298
ILE A 301
ALA A 302
GLU A 305
THR A 306
ALA A 367
ALA A 474
THR A 475
None
None
HEM  A 505 ( 3.8A)
None
None
None
HEM  A 505 (-3.7A)
None
HEM  A 505 (-3.7A)
HEM  A 505 (-3.5A)
None
None
0.39A100.00
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)
2qtz METHIONINE SYNTHASE
REDUCTASE
(Homo
sapiens)
5 / 12LEU A 284
LEU A 593
THR A 547
ILE A 549
ALA A 550
None
None
FAD  A 700 ( 4.6A)
None
FAD  A 700 ( 4.7A)
0.72A21.16
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)
2r05 PROGRAMMED CELL
DEATH 6-INTERACTING
PROTEIN
(Homo
sapiens)
5 / 12LEU A  65
LEU A 124
ILE A 347
THR A 341
ALA A 128
None
0.93A20.73
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)
3c6g CYTOCHROME P450 2R1
(Homo
sapiens)
5 / 12ILE A 309
ALA A 310
GLU A 313
THR A 314
THR A 488
None
HEM  A 601 (-3.3A)
None
HEM  A 601 (-3.4A)
VD3  A 701 ( 4.6A)
0.60A27.25
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)
3hlk ACYL-COENZYME A
THIOESTERASE 2,
MITOCHONDRIAL
(Homo
sapiens)
5 / 12LEU A  96
VAL A  94
ALA A 116
GLU A 121
ALA A  65
None
0.92A23.60
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)
3ifq PLAKOGLOBIN
(Homo
sapiens)
6 / 12LEU A 497
LEU A 459
ILE A 485
ALA A 484
ALA A 445
ALA A 455
None
1.33A23.27
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)
4bvx EUKARYOTIC
TRANSLATION
ELONGATION FACTOR 1
EPSILON-1
(Homo
sapiens)
6 / 12LEU B  61
VAL B  71
LEU B  10
THR B 114
ILE B 118
ALA B  48
None
1.27A19.51
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)
4i6j F-BOX/LRR-REPEAT
PROTEIN 3
(Homo
sapiens)
6 / 12LEU B 144
PHE B 115
VAL B 117
ILE B 130
ALA B 126
ALA B 163
None
1.13A21.81
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)
4kng LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5
(Homo
sapiens)
5 / 12LEU A 236
LEU A 262
THR A 255
ILE A 253
ALA A 252
None
0.89A22.87
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)
4ufs LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5
(Homo
sapiens)
5 / 12LEU A 236
LEU A 262
THR A 255
ILE A 253
ALA A 252
None
0.84A22.81
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)
5ei0 SERPIN A12
(Homo
sapiens)
5 / 12VAL A 384
LEU A 299
THR A 258
ILE A 259
GLU A 261
None
0.99A22.70
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)
1gz4 NAD-DEPENDENT MALIC
ENZYME
(Homo
sapiens)
4 / 5LEU A 322
ALA A 289
VAL A 474
ILE A 526
None
0.95A21.44
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)
1vec ATP-DEPENDENT RNA
HELICASE P54
(Homo
sapiens)
4 / 5LEU A 140
ALA A 156
VAL A 160
ILE A 159
None
0.89A19.18
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)
1xnj BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 1
(Homo
sapiens)
4 / 5LEU B 291
ALA B 353
VAL B 369
ILE B 366
None
0.98A20.66
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)
1yrv UBIQUITIN-CONJUGATIN
G LIGASE MGC351130
(Homo
sapiens)
4 / 5LEU A  93
ALA A 111
VAL A  38
ILE A  40
None
0.89A17.69
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)
1zkl HIGH-AFFINITY
CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 7A
(Homo
sapiens)
4 / 5LEU A 243
ALA A 248
THR A 251
ILE A 201
None
0.89A21.51
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)
2aw5 NADP-DEPENDENT MALIC
ENZYME
(Homo
sapiens)
4 / 5LEU A 312
ALA A 279
VAL A 461
ILE A 513
None
0.93A21.45
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE
(Homo
sapiens)
4 / 5ALA A 396
THR A 399
VAL A 302
ILE A 456
None
0.79A23.00
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)
2qjf BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 1
(Homo
sapiens)
4 / 5LEU A 291
ALA A 353
VAL A 369
ILE A 366
None
0.94A21.25
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)
2w3c GENERAL VESICULAR
TRANSPORT FACTOR
P115
(Homo
sapiens)
4 / 5ALA A 327
THR A 331
VAL A 385
ILE A 334
None
0.76A20.94
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)
3a7s UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE ISOZYME L5
(Homo
sapiens)
4 / 5LEU A  55
ALA A  92
VAL A  32
ILE A 223
None
0.82A21.71
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)
3p5b LOW DENSITY
LIPOPROTEIN RECEPTOR
VARIANT
(Homo
sapiens)
4 / 5LEU L 590
ALA L 500
THR L 513
ILE L 521
None
0.97A21.23
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)
4bej DYNAMIN 1-LIKE
PROTEIN
(Homo
sapiens)
5 / 5LEU A  67
ALA A 286
THR A 282
VAL A 258
ILE A 262
None
1.11A23.48
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)
4o7d GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL
(Homo
sapiens)
4 / 5ALA A 338
THR A 342
VAL A 358
ILE A 345
None
0.98A19.76
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)
4ov6 PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9
(Homo
sapiens)
4 / 5ALA B 363
THR B 339
VAL B 423
ILE B 424
None
0.94A23.38
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)
4rwt LEIOMODIN-2
(Homo
sapiens)
4 / 5LEU C 260
ALA C 255
VAL C 243
ILE C 248
None
0.99A21.48
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.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)
1hvy THYMIDYLATE SYNTHASE
(Homo
sapiens)
4 / 5ALA A 238
THR A 241
VAL A 164
ILE A 165
None
None
BME  A1514 (-4.3A)
None
0.91A22.17
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.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)
1orf GRANZYME A
(Homo
sapiens)
4 / 5LEU A 108
ALA A  48
VAL A 118
ILE A 114
None
0.93A19.02
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.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)
1vec ATP-DEPENDENT RNA
HELICASE P54
(Homo
sapiens)
4 / 5LEU A 140
ALA A 156
VAL A 160
ILE A 159
None
0.95A19.18
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.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)
1xnj BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 1
(Homo
sapiens)
4 / 5LEU B 291
ALA B 353
VAL B 369
ILE B 366
None
0.95A20.66
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.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)
1yrv UBIQUITIN-CONJUGATIN
G LIGASE MGC351130
(Homo
sapiens)
4 / 5LEU A  93
ALA A 111
VAL A  38
ILE A  40
None
0.73A17.69
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.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)
1zkl HIGH-AFFINITY
CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 7A
(Homo
sapiens)
4 / 5LEU A 243
ALA A 248
THR A 251
ILE A 201
None
0.97A21.51
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.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)
2aw5 NADP-DEPENDENT MALIC
ENZYME
(Homo
sapiens)
4 / 5LEU A 312
ALA A 279
VAL A 461
ILE A 513
None
0.97A21.45
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.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)
2eyw V-CRK SARCOMA VIRUS
CT10 ONCOGENE
HOMOLOG ISOFORM A
(Homo
sapiens)
4 / 5LEU A 159
ALA A 172
VAL A 184
ILE A 182
None
0.95A11.00
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.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE
(Homo
sapiens)
4 / 5ALA A 396
THR A 399
VAL A 302
ILE A 456
None
0.86A23.00
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.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)
2q5e CARBOXY-TERMINAL
DOMAIN RNA
POLYMERASE II
POLYPEPTIDE A SMALL
PHOSPHATASE 2
(Homo
sapiens)
4 / 5LEU A 108
ALA A 167
VAL A 127
ILE A 129
None
0.81A20.31
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.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)
2qjf BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 1
(Homo
sapiens)
4 / 5LEU A 291
ALA A 353
VAL A 369
ILE A 366
None
0.88A21.25
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.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)
2w3c GENERAL VESICULAR
TRANSPORT FACTOR
P115
(Homo
sapiens)
4 / 5ALA A 327
THR A 331
VAL A 385
ILE A 334
None
0.77A20.94
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.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)
2xsz RUVB-LIKE 1
(Homo
sapiens)
4 / 5LEU A  38
ALA A  98
VAL A  80
ILE A 237
None
0.95A22.54
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.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9
(Homo
sapiens)
4 / 5ALA A 363
THR A 339
VAL A 423
ILE A 424
None
0.95A23.01
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.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)
4bej DYNAMIN 1-LIKE
PROTEIN
(Homo
sapiens)
5 / 5LEU A  67
ALA A 286
THR A 282
VAL A 258
ILE A 262
None
1.15A23.48