Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T73712 | Target Info | |||
| Target Name | Fatty acid-binding protein 1 (FABP1) | ||||
| Synonyms | L-FABP; FABP1; 14-kDa fatty-acid binding protein; 14 kDa selenium-binding protein | ||||
| Target Type | Successful Target | ||||
| Gene Name | FABP1 | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Marinol | Ligand Info | |||||
| Structure Description | Human liver FABP1 bound to tetrahydrocannabinol | PDB:6MP4 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [1] |
| PDB Sequence |
GTENLYFQSM
1 SFSGKYQLQS11 QENFEAFMKA21 IGLPEELIQK31 GKDIKGVSEI41 VQNGKHFKFT 51 ITAGSKVIQN61 EFTVGEECEL71 ETMTGEKVKT81 VVQLEGDNKL91 VTTFKNIKSV 101 TELNGDIITN111 TMTLGDIVFK121 RISKRI
|
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|
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PHE18
3.494
MET19
3.944
ILE22
4.280
PHE50
3.583
ILE52
3.503
ALA54
3.494
ILE59
4.553
ASN61
4.049
PHE63
3.896
LEU71
4.255
GLU72
2.807
THR73
3.787
|
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| Ligand Name: Oleic acid | Ligand Info | |||||
| Structure Description | Human L-FABP in complex with oleate | PDB:2LKK | ||||
| Method | Solution NMR | Resolution | N.A. | Mutation | No | [2] |
| PDB Sequence |
SFSGKYQLQS
11 QENFEAFMKA21 IGLPEELIQK31 GKDIKGVSEI41 VQNGKHFKFT51 ITAGSKVIQN 61 EFTVGEECEL71 ETMTGEKVKT81 VVQLEGDNKL91 VTTFKNIKSV101 TELNGDIITN 111 TMTLGDIVFK121 RISKRI
|
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|
|
TYR7
3.449
LEU9
3.315
GLN12
4.173
PHE15
2.276
PHE18
2.641
MET19
2.229
ILE22
4.047
LEU24
2.795
GLU27
4.548
LEU28
2.284
ILE29
3.293
LYS31
1.561
GLY32
2.554
ILE35
4.113
SER39
1.377
GLU40
4.535
ILE41
2.409
PHE50
2.498
ILE52
2.248
THR53
4.097
ALA54
2.299
GLY55
2.255
SER56
1.361
LYS57
2.980
ILE59
2.804
PHE63
2.486
LEU71
2.328
GLU72
2.594
THR73
2.290
MET74
2.381
THR75
4.102
THR81
3.422
VAL83
2.899
LEU91
4.079
THR93
3.133
PHE95
2.384
ILE98
3.999
SER100
3.270
THR102
2.174
ILE109
2.364
THR110
4.798
ASN111
2.415
MET113
2.376
PHE120
2.331
ARG122
1.753
ILE123
4.657
SER124
1.361
|
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| Ligand Name: GW7647 | Ligand Info | |||||
| Structure Description | NMR solution structure of wild type hFABP1 with GW7647 | PDB:6DRG | ||||
| Method | Solution NMR | Resolution | N.A. | Mutation | No | [3] |
| PDB Sequence |
HHHHHHVAMS
2 FSGKYQLQSQ12 ENFEAFMKAI22 GLPEELIQKG32 KDIKGVSEIV42 QNGKHFKFTI 52 TAGSKVIQNE62 FTVGEECELE72 TMTGEKVKTV82 VQLEGDNKLV92 TTFKNIKSVT 102 ELNGDIITNT112 MTLGDIVFKR122 ISKRI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2VN or .2VN2 or .2VN3 or :32VN;style chemicals stick;color identity;select .A:3 or .A:9 or .A:15 or .A:36 or .A:37 or .A:38 or .A:39 or .A:41 or .A:48 or .A:50 or .A:52 or .A:53 or .A:54 or .A:55 or .A:57 or .A:59 or .A:61 or .A:63 or .A:71 or .A:72 or .A:73 or .A:74 or .A:81 or .A:83 or .A:91 or .A:93 or .A:95 or .A:98 or .A:100 or .A:101 or .A:102 or .A:111 or .A:113 or .A:120 or .A:122 or .A:124; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE3
4.346
LEU9
2.430
PHE15
4.203
LYS36
4.576
GLY37
2.359
VAL38
2.629
SER39
2.310
ILE41
3.069
PHE48
2.635
PHE50
2.410
ILE52
2.236
THR53
2.606
ALA54
2.493
GLY55
4.778
LYS57
4.930
ILE59
4.356
ASN61
2.360
PHE63
2.249
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Liver fatty acid-binding protein regulates THC metabolism by facilitating intracellular hepatic transport | ||||
| REF 2 | Solution structure and backbone dynamics of human liver fatty acid binding protein: fatty acid binding revisited. Biophys J. 2012 Jun 6;102(11):2585-94. | ||||
| REF 3 | A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor Alpha agonists. J Biol Chem. 2019 Mar 8;294(10):3720-3734. | ||||
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