7FY9
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine, i.e. SMILES c1(c(nc(c(c1c1ccc(cc1)F)C1=NN=NN1)C1(CCCC1)COC)C1CCCC1)C with IC50=0.14164 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 | 15012.2 | 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) | (5P)-2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine | non-polymer | 435.5 | 1 | Chemie (K7C) | |||
| 3 | C (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 4 | D (A) | water | water | 18.0 | 67 | 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 |
| Met 32 | Val 33 | engineered mutation |
| Gly 33 | Ala 34 | engineered mutation |
| Cys 40 | Met 41 | engineered mutation |
| Thr 53 | Ser 54 | engineered mutation |
| Leu 57 | Phe 58 | engineered mutation |
| Gln 93 | His 94 | engineered mutation |
| Cys 124 | Ser 125 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 15012.2 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 513.7 | |
| All* | Total formula weight | 15525.9 |
