› 7g1w

X-ray diffraction
1.34Å resolution

Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid, i.e. SMILES C(=O)(Nc1cc(cc(c1)Cl)Cl)CC(CC(=O)O)(C)C with IC50=4.4 microM

Released:
DOI: 10.2210/pdb7g1w/pdb
PDB entry 7g1w coloured by chain, front view.
PDB entry 7g1w coloured by chain, side view.
PDB entry 7g1w coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Ehler A, Benz J, Obst U, Brunner M, Rudolph MG

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
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: 15.01 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

1 bound ligand:
Ligand W90 1 x W90
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Unit cell:
a: 32.212Å b: 53.015Å c: 72.44Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.202 0.2 0.238
Expression system: Escherichia coli BL21(DE3)

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