7FXG
Crystal Structure of human FABP4 in complex with 2-chloro-4,6-bis(trifluoromethylsulfanyl)phenol, i.e. SMILES C(Sc1c(c(cc(c1)SC(F)(F)F)Cl)O)(F)(F)F with IC50=0.086 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) | FORMIC ACID | non-polymer | 46.0 | 1 | Chemie (FMT) | |||
| 3 | C (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | D (A) | 2-chloro-4,6-bis[(trifluoromethyl)sulfanyl]phenol | non-polymer | 328.7 | 1 | Chemie (RG6) | |||
| 5 | E (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | F (A) | water | water | 18.0 | 200 | 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 | 4 |
| Total formula weight | 506.2 | |
| All* | Total formula weight | 15528.4 |
