7G14
Crystal Structure of human FABP4 in complex with 6-cyclopentyl-N,5-dimethyl-4-phenyl-N-propan-2-yl-3-(1H-tetrazol-5-yl)pyridin-2-amine, i.e. SMILES c1(c(nc(c(c1c1ccccc1)C1=NN=NN1)N(C(C)C)C)C1CCCC1)C with IC50=0.014086 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, G (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 3 | C (A) | (3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine | non-polymer | 376.5 | 1 | Chemie (Q1I) | |||
| 4 | D, F (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 5 | E (A) | FORMIC ACID | non-polymer | 46.0 | 1 | Chemie (FMT) | |||
| 6 | H (A) | water | water | 18.0 | 128 | 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 | 6 |
| Total formula weight | 770.9 | |
| All* | Total formula weight | 15793.1 |
