7G10
Crystal Structure of human FABP4 binding site mutated to that of FABP3 in complex with 1-[(4-chloro-2-phenoxyphenyl)methyl]-4-hydroxypyridin-2-one, i.e. SMILES OC1=CC(=O)N(C=C1)Cc1ccc(cc1Oc1ccccc1)Cl with IC50=0.115 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 | 15060.2 | 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, C (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 3 | D (A) | 4-hydroxy-1-[(2-phenoxyphenyl)methyl]pyridin-2(1H)-one | non-polymer | 293.3 | 1 | Chemie (WMF) | |||
| 4 | E (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 5 | F (A) | water | water | 18.0 | 145 | 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 |
| Leu 23 | Val 24 | engineered mutation |
| Thr 40 | Met 41 | engineered mutation |
| Leu 51 | Ile 52 | engineered mutation |
| Thr 53 | Ser 54 | engineered mutation |
| Leu 104 | Ile 105 | engineered mutation |
| Leu 115 | Val 116 | engineered mutation |
| Leu 117 | Cys 118 | engineered mutation |
| Cys 124 | Ser 125 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 15060.2 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 563.6 | |
| All* | Total formula weight | 15623.8 |
