7FXP
Crystal Structure of human FABP4 in complex with (Z)-4-(4-bromo-2-chloroanilino)-4-oxobut-2-enoic acid, i.e. SMILES c1(c(cc(cc1)Br)Cl)NC(=O)/C=C\C(=O)O with IC50=3.4 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, E (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 3 | C (A) | (2Z)-4-(4-bromo-2-chloroanilino)-4-oxobut-2-enoic acid | non-polymer | 304.5 | 1 | Chemie (TB3) | |||
| 4 | D (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 5 | F (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 6 | G (A) | water | water | 18.0 | 163 | Chemie (HOH) |
Sequence modifications
A: 1 - 132 (UniProt: P15090)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| His 0 | - | 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 | 610.2 | |
| All* | Total formula weight | 15632.4 |
