7g0u

X-ray diffraction
1.12Å resolution

Crystal Structure of human FABP4 in complex with 5-[(3-chlorophenyl)methyl]-6-hydroxy-1-methyl-4-morpholin-4-ylpyrimidin-2-one, i.e. SMILES N1=C(C(=C(N(C1=O)C)O)Cc1cc(Cl)ccc1)N1CCOCC1 with IC50=1.5 microM

Released:
Model geometry
Fit model/data
Source organism: Homo sapiens
Entry authors: Ehler A, Benz J, Obst U, Brunner M, Rudolph MG

Function and Biology Details

Biochemical function:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
PDBe Complex ID:
PDB-CPX-147213 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Fatty acid-binding protein, adipocyte Chain: A
Molecule details ›
Chain: A
Length: 135 amino acids
Theoretical weight: 15.02 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P15090 (Residues: 1-132; Coverage: 100%)
Gene name: FABP4
Sequence domains: Lipocalin / cytosolic fatty-acid binding protein family

Ligands and Environments

3 bound ligands:
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 32.565Å b: 53.817Å c: 74.965Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.133 0.131 0.163
Expression system: Escherichia coli BL21(DE3)