› 7g18

X-ray diffraction
1.12Å resolution

Crystal Structure of human FABP4 in complex with 4-(4-chloro-3-fluorophenoxy)-2-(3,4-dichlorophenyl)-2-methylbutanoic acid, i.e. SMILES [C@@](c1cc(c(cc1)Cl)Cl)(C(=O)O)(CCOc1cc(c(cc1)Cl)F)C with IC50=0.202 microM

Released:
DOI: 10.2210/pdb7g18/pdb
PDB entry 7g18 coloured by chain, front view.
PDB entry 7g18 coloured by chain, side view.
PDB entry 7g18 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Ehler A, Benz J, Obst U, Nettekoven 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: 15.02 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:
Ligand FMT 1 x FMT
Ligand SO4 2 x SO4
Ligand WMW 1 x WMW
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 32.567Å b: 53.698Å c: 75.398Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.14 0.139 0.17
Expression system: Escherichia coli BL21(DE3)

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