7G04
Crystal Structure of human FABP5 in complex with 7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid, i.e. SMILES c12c(ccc(c2)c2ccc(cc2)Cl)CCC[C@H]1C(=O)O with IC50=3.3 microM
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Fatty acid-binding protein 5 | polymer | 138 | 15467.7 | 2 | UniProt (Q01469) Pfam (PF00061) | Homo sapiens (human) | Epidermal-type fatty acid-binding protein,E-FABP,Fatty acid-binding protein,epidermal,Psoriasis-associated fatty acid-binding protein homolog,PA-FABP |
| 2 | C (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 3 | D (B) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | E (B) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 5 | F (B) | (1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid | non-polymer | 286.8 | 1 | Chemie (WXZ) | |||
| 6 | G, H (A, B) | water | water | 18.0 | 230 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 135 (UniProt: Q01469)
| 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 | 2 |
| Total formula weight | 30935.5 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 496.4 | |
| All* | Total formula weight | 31431.9 |
