7FZ2
Crystal Structure of human FABP4 in complex with [3-oxo-5-[4-(trifluoromethyl)phenyl]cyclohexen-1-yl] acetate, i.e. SMILES [C@H]1(c2ccc(cc2)C(F)(F)F)CC(=CC(=O)C1)OC(=O)C with IC50=0.833 microM
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Fatty acid-binding protein, adipocyte | polymer | 135 | 15022.2 | 1 | UniProt (P15090) Pfam (PF00061) | Homo sapiens (human) | Adipocyte lipid-binding protein,ALBP,Adipocyte-type fatty acid-binding protein,A-FABP,AFABP,Fatty acid-binding protein 4 |
| 2 | B (A) | (1S)-5-hydroxy-4'-(trifluoromethyl)-1,6-dihydro[1,1'-biphenyl]-3(2H)-one | non-polymer | 256.2 | 1 | Chemie (WDI) | |||
| 3 | C, D (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | E (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 5 | F (A) | FORMIC ACID | non-polymer | 46.0 | 1 | Chemie (FMT) | |||
| 6 | G (A) | water | water | 18.0 | 185 | Chemie (HOH) |
Sequence modifications
A: 0 - 131 (UniProt: P15090)
| PDB | External Database | Details |
|---|---|---|
| Gly -3 | - | expression tag |
| Ser -2 | - | expression tag |
| His -1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 15022.2 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 572.5 | |
| All* | Total formula weight | 15594.7 |
