7FXH
Crystal Structure of human FABP4 in complex with 2-[(2R)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine, i.e. SMILES c1(c(c(c2c(n1)CCCCC2)c1ccccc1)C1=NN=NN1)[C@H]1CCCO1 with IC50=0.0496937 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) | (3P)-2-[(2R)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine | non-polymer | 361.4 | 1 | Chemie (RI4) | |||
| 3 | C, D, E, F (A) | FORMIC ACID | non-polymer | 46.0 | 4 | Chemie (FMT) | |||
| 4 | G, H (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 5 | I, J (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 6 | K (A) | water | water | 18.0 | 150 | 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 | 9 |
| Total formula weight | 893.9 | |
| All* | Total formula weight | 15916.1 |
