SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3fxi'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Dali
Z-score
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.
1DTL_A_BEPA205_1
(CARDIAC TROPONIN C)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 LEU A 195
PHE A 165
LEU A 182
LEU A 180
PHE A 171
None
1.13A 1dtlA-3fxiA:
undetectable
1dtlA-3fxiA:
14.73
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.
1FBM_B_RTLB951_0
(PROTEIN (CARTILAGE
OLIGOMERIC MATRIX
PROTEIN))
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
4 / 4 THR A 577
LEU A 576
LEU A 564
GLN A 562
NAG  A 761 (-3.8A)
None
None
None
1.20A 1fbmA-3fxiA:
undetectable
1fbmA-3fxiA:
5.72
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.
1P91_B_SAMB2401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 LEU A 315
GLY A 343
GLY A 363
ILE A 320
LEU A 350
None
1.04A 1p91B-3fxiA:
undetectable
1p91B-3fxiA:
17.88
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.
1QCA_A_FUAA221_1
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
4 / 7 SER A 368
PHE A 396
PHE A 387
LEU A 434
None
1.12A 1qcaA-3fxiA:
undetectable
1qcaA-3fxiA:
15.93
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.
2AB2_A_SNLA502_2
(MINERALOCORTICOID
RECEPTOR)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
4 / 6 LEU A 290
LEU A 315
LEU A 303
LEU A 280
None
1.02A 2ab2A-3fxiA:
undetectable
2ab2A-3fxiA:
19.93
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.
2BFP_A_H4BA1290_1
(PTERIDINE REDUCTASE
1)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
4 / 8 PHE A 532
LEU A 511
LEU A 525
LEU A 549
None
0.98A 2bfpA-3fxiA:
undetectable
2bfpA-3fxiA:
17.52
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.
2BXE_B_1FLB2003_1
(SERUM ALBUMIN)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 10 LEU A  83
LEU A  85
LEU A  66
ILE A  48
ALA A  97
None
1.12A 2bxeB-3fxiA:
undetectable
2bxeB-3fxiA:
20.62
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.
2HC4_A_VDXA525_2
(VITAMIN D RECEPTOR)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
4 / 7 LEU A 519
LEU A 495
ILE A 466
SER A 441
None
1.22A 2hc4A-3fxiA:
undetectable
2hc4A-3fxiA:
19.15
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.
2HRC_A_CHDA701_0
(FERROCHELATASE)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
6 / 12 MET A 243
LEU A 277
PHE A 304
LEU A 280
LEU A 231
VAL A 255
None
1.05A 2hrcA-3fxiA:
undetectable
2hrcA-3fxiA:
21.09
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.
2HRC_B_CHDB1605_0
(FERROCHELATASE)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 LEU A 277
PHE A 304
LEU A 280
LEU A 231
VAL A 255
None
0.92A 2hrcB-3fxiA:
undetectable
2hrcB-3fxiA:
21.09
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.
2HRC_B_CHDB1605_0
(FERROCHELATASE)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 MET A 243
LEU A 277
LEU A 280
LEU A 231
VAL A 255
None
1.06A 2hrcB-3fxiA:
undetectable
2hrcB-3fxiA:
21.09
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.
2OIP_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 VAL A 310
LEU A 335
PHE A 313
SER A 314
ILE A 300
None
1.13A 2oipA-3fxiA:
undetectable
2oipA-3fxiA:
23.38
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.
2PNJ_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 LEU A 601
LEU A 574
LEU A 549
ILE A 594
LEU A 511
None
0.94A 2pnjA-3fxiA:
undetectable
2pnjA-3fxiA:
21.09
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.
2PNJ_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
6 / 12 MET A 243
LEU A 277
PHE A 304
LEU A 280
LEU A 231
VAL A 255
None
1.17A 2pnjA-3fxiA:
undetectable
2pnjA-3fxiA:
21.09
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.
2PNJ_B_CHDB501_0
(FERROCHELATASE,
MITOCHONDRIAL)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 MET A 243
LEU A 277
PHE A 304
LEU A 280
VAL A 255
None
1.10A 2pnjB-3fxiA:
undetectable
2pnjB-3fxiA:
21.09
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.
2PO5_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 LEU A 277
PHE A 304
LEU A 280
LEU A 231
VAL A 255
None
0.90A 2po5A-3fxiA:
undetectable
2po5A-3fxiA:
21.09
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.
2PO5_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 MET A 243
LEU A 277
LEU A 280
LEU A 231
VAL A 255
None
0.92A 2po5A-3fxiA:
undetectable
2po5A-3fxiA:
21.09
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.
2PO5_B_CHDB501_0
(FERROCHELATASE,
MITOCHONDRIAL)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 11 LEU A 277
PHE A 304
LEU A 280
LEU A 231
VAL A 255
None
0.95A 2po5B-3fxiA:
undetectable
2po5B-3fxiA:
21.09
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.
2PO5_B_CHDB501_0
(FERROCHELATASE,
MITOCHONDRIAL)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 11 MET A 243
LEU A 277
LEU A 280
LEU A 231
VAL A 255
None
0.97A 2po5B-3fxiA:
undetectable
2po5B-3fxiA:
21.09
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.
2PO7_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 LEU A 277
PHE A 304
LEU A 280
LEU A 231
VAL A 255
None
0.81A 2po7A-3fxiA:
undetectable
2po7A-3fxiA:
21.09
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.
2PO7_B_CHDB501_0
(FERROCHELATASE,
MITOCHONDRIAL)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 LEU A 277
PHE A 304
LEU A 280
LEU A 231
VAL A 255
None
0.84A 2po7B-3fxiA:
undetectable
2po7B-3fxiA:
21.09
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.
2QD4_A_CHDA801_0
(FERROCHELATASE)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 LEU A 277
PHE A 304
LEU A 280
LEU A 231
VAL A 255
None
1.00A 2qd4A-3fxiA:
undetectable
2qd4A-3fxiA:
21.12
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.
2QD4_B_CHDB928_0
(FERROCHELATASE)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 LEU A 277
PHE A 304
LEU A 280
LEU A 231
VAL A 255
None
0.81A 2qd4B-3fxiA:
undetectable
2qd4B-3fxiA:
21.12
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.
2W98_A_P1ZA1351_1
(PROSTAGLANDIN
REDUCTASE 2)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 10 ILE A  93
PHE A 144
LEU A 107
VAL A 132
LEU A 131
None
1.40A 2w98A-3fxiA:
undetectable
2w98A-3fxiA:
20.23
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.
2Y05_A_RALA801_1
(PROSTAGLANDIN
REDUCTASE 1)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
4 / 8 VAL A 475
SER A 528
TYR A 451
VAL A 524
None
NAG  A 731 ( 4.1A)
None
None
0.90A 2y05A-3fxiA:
undetectable
2y05B-3fxiA:
undetectable
2y05A-3fxiA:
18.57
2y05B-3fxiA:
18.57
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.
3A50_A_VD3A2001_1
(VITAMIN D
HYDROXYLASE)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 ILE A 146
LEU A 131
ALA A 133
THR A 136
LEU A 117
None
1.15A 3a50A-3fxiA:
undetectable
3a50A-3fxiA:
20.20
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.
3AIA_B_SAMB206_0
(UPF0217 PROTEIN
MJ1640)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
4 / 5 SER A  71
LEU A 117
GLY A 120
GLU A  94
None
0.98A 3aiaA-3fxiA:
undetectable
3aiaB-3fxiA:
undetectable
3aiaA-3fxiA:
17.43
3aiaB-3fxiA:
17.43
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.
3CE6_D_ADND500_2
(ADENOSYLHOMOCYSTEINA
SE)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
4 / 5 LEU A 401
GLN A 393
THR A 398
LEU A 446
None
1.23A 3ce6D-3fxiA:
undetectable
3ce6D-3fxiA:
21.05
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.
3CS8_A_BRLA503_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 GLY A 261
ILE A 285
LEU A 307
LEU A 250
LEU A 231
None
1.16A 3cs8A-3fxiA:
undetectable
3cs8A-3fxiA:
20.59
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.
3T3Z_C_9PLC501_1
(CYTOCHROME P450 2E1)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
4 / 5 PHE A 492
PHE A 483
THR A 459
LEU A 476
None
1.05A 3t3zC-3fxiA:
undetectable
3t3zC-3fxiA:
21.00
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.
3UFG_B_LEUB289_0
(GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
3 / 3 PHE A 263
SER A 183
SER A 211
None
0.97A 3ufgB-3fxiA:
undetectable
3ufgB-3fxiA:
19.21
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.
3V7P_A_BEZA430_0
(AMIDOHYDROLASE
FAMILY PROTEIN)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
4 / 7 ILE A 556
SER A 559
PHE A 567
LEU A 564
None
0.90A 3v7pA-3fxiA:
undetectable
3v7pA-3fxiA:
21.91
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.
3ZQT_A_30ZA1920_1
(ANDROGEN RECEPTOR)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
4 / 6 PRO A 489
LEU A 508
ASN A 486
GLU A 485
None
0.83A 3zqtA-3fxiA:
undetectable
3zqtA-3fxiA:
17.66
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
4 / 5 LEU A 473
ILE A 454
MET A 478
PHE A 443
None
1.01A 4dc3B-3fxiA:
undetectable
4dc3B-3fxiA:
20.20
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.
4O2B_B_LOCB503_2
(TUBULIN BETA-2B
CHAIN)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 LEU A 258
LEU A 208
ASN A 213
MET A 215
ILE A 218
None
0.98A 4o2bB-3fxiA:
undetectable
4o2bB-3fxiA:
21.70
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.
4O8F_A_BRLA501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
4 / 5 GLY A  70
LEU A 101
ILE A  48
LEU A  85
None
0.84A 4o8fA-3fxiA:
undetectable
4o8fA-3fxiA:
20.93
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.
4PD9_A_ADNA501_2
(NUPC FAMILY PROTEIN)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
3 / 3 THR A 459
ASN A 409
PHE A 408
None
0.67A 4pd9A-3fxiA:
undetectable
4pd9A-3fxiA:
21.18
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.
4RTB_A_SAMA501_0
(HYDG PROTEIN)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 LEU A 350
PHE A 330
LEU A 307
LEU A 280
ALA A 276
None
1.36A 4rtbA-3fxiA:
undetectable
4rtbA-3fxiA:
22.11
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.
4X1Y_B_LOCB502_1
(TUBULIN BETA CHAIN)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 LEU A 258
LEU A 208
ASN A 213
MET A 215
ILE A 218
None
1.08A 4x1yB-3fxiA:
undetectable
4x1yB-3fxiA:
21.42
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.
4ZE0_A_VORA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 9 THR A 459
ILE A 454
GLY A 480
LEU A 508
LEU A 488
None
1.36A 4ze0A-3fxiA:
undetectable
4ze0A-3fxiA:
21.45
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.
5ERG_B_SAMB401_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 VAL A 197
SER A 172
HIS A 179
VAL A 157
LEU A 182
None
None
NAG  A 721 (-4.1A)
None
None
1.20A 5ergB-3fxiA:
undetectable
5ergB-3fxiA:
20.77
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.
5IL1_A_SAMA601_0
(METTL3)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 LEU A 404
SER A 416
GLU A 369
PHE A 396
GLY A 397
None
1.35A 5il1A-3fxiA:
undetectable
5il1A-3fxiA:
15.46
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.
5ITZ_B_LOCB502_1
(TUBULIN BETA-2B
CHAIN)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 LEU A 231
LEU A 180
LEU A 210
ASN A 185
ILE A 190
None
1.11A 5itzB-3fxiA:
undetectable
5itzB-3fxiA:
21.70
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.
5ITZ_B_LOCB502_1
(TUBULIN BETA-2B
CHAIN)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 LEU A 258
LEU A 208
ASN A 213
MET A 215
ILE A 218
None
1.01A 5itzB-3fxiA:
undetectable
5itzB-3fxiA:
21.70
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.
5MIO_B_LOCB502_1
(TUBULIN BETA CHAIN)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 LEU A 258
LEU A 208
ASN A 213
MET A 215
ILE A 218
None
1.00A 5mioB-3fxiA:
undetectable
5mioB-3fxiA:
21.70
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.
5NWV_A_ACAA18_1
(SCRFP-TAG,GP41)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 SER A 445
GLU A 425
LEU A 424
GLU A 422
LEU A 421
None
0.95A 5nwvA-3fxiA:
undetectable
5nwvA-3fxiA:
6.33
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.
5QH8_A_ACTA302_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
3 / 3 CYH A 246
MET A 215
ASN A 216
None
1.30A 5qh8A-3fxiA:
undetectable
5qh8A-3fxiA:
14.78
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.
5VEU_A_RITA602_2
(CYTOCHROME P450 3A5)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
3 / 3 ARG A 355
PHE A 330
LEU A 372
None
0.86A 5veuA-3fxiA:
undetectable
5veuA-3fxiA:
22.31
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.
5X6Y_A_SAMA902_1
(MRNA CAPPING ENZYME
P5)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
3 / 3 TYR A 451
ASP A 405
ASP A 453
None
0.62A 5x6yA-3fxiA:
undetectable
5x6yA-3fxiA:
21.18
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.
5XXI_A_LSNA501_2
(CYTOCHROME P450 2C9)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
4 / 4 PHE A 326
LEU A 380
LEU A 337
VAL A 370
None
1.06A 5xxiA-3fxiA:
undetectable
5xxiA-3fxiA:
23.28
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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12 CYH A 246
PHE A 237
MET A 215
LEU A 260
LEU A 283
None
1.42A 5y2oA-3fxiA:
undetectable
5y2oA-3fxiA:
8.63
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.
5Y7P_B_CHDB401_0
(BILE SALT HYDROLASE)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 10 LEU A 307
ILE A 247
LEU A 250
PHE A 223
LEU A 228
None
1.22A 5y7pB-3fxiA:
undetectable
5y7pB-3fxiA:
20.68
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.
5Y7P_B_CHDB401_0
(BILE SALT HYDROLASE)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 10 LEU A 421
LEU A 356
PHE A 358
LEU A 385
LEU A 406
None
1.23A 5y7pB-3fxiA:
undetectable
5y7pB-3fxiA:
20.68
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.
5Y7P_D_CHDD401_0
(BILE SALT HYDROLASE)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 10 LEU A 421
LEU A 356
PHE A 358
LEU A 385
LEU A 406
None
1.23A 5y7pD-3fxiA:
undetectable
5y7pD-3fxiA:
20.68
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.
5Y7P_H_CHDH401_0
(BILE SALT HYDROLASE)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 10 LEU A 307
ILE A 247
LEU A 250
PHE A 223
LEU A 228
None
1.20A 5y7pH-3fxiA:
undetectable
5y7pH-3fxiA:
20.68
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.
5Y7P_H_CHDH401_0
(BILE SALT HYDROLASE)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 10 LEU A 421
LEU A 356
PHE A 358
LEU A 385
LEU A 406
None
1.21A 5y7pH-3fxiA:
undetectable
5y7pH-3fxiA:
20.68
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.
5YOD_B_BEZB201_0
(NS3 PROTEASE)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
4 / 5 HIS A 148
ALA A 121
SER A 123
GLY A 124
None
1.29A 5yodB-3fxiA:
undetectable
5yodB-3fxiA:
14.80
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.
6B5V_B_ECLB1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
4 / 7 ALA A  97
ILE A 108
PHE A 122
LEU A 107
None
0.87A 6b5vA-3fxiA:
undetectable
6b5vB-3fxiA:
undetectable
6b5vA-3fxiA:
7.63
6b5vB-3fxiA:
7.63