7G0B
Crystal Structure of human FABP5 in complex with 7-bromo-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid, i.e. SMILES [C@@H]1([C@@H](CCN(c2c1cc(cc2)Br)C)C(=O)O)c1ccccc1 with IC50=2.3 microM
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Fatty acid-binding protein 5 | polymer | 138 | 15467.7 | 1 | 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 | B (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 3 | C (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | D (A) | (4S,5S)-7-bromo-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid | non-polymer | 360.2 | 1 | Chemie (WK0) | |||
| 5 | E (A) | water | water | 18.0 | 64 | Chemie (HOH) |
Sequence modifications
A: 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 | 1 |
| Total formula weight | 15467.7 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 534.4 | |
| All* | Total formula weight | 16002.2 |
