› 7fyy

X-ray diffraction
1.12Å resolution

Crystal Structure of human FABP4 in complex with 5,7-bis(trifluoromethylsulfanyl)quinolin-8-ol, i.e. SMILES c1(c2c(c(c(c1)SC(F)(F)F)O)nccc2)SC(F)(F)F with IC50=0.047 microM

Released:
DOI: 10.2210/pdb7fyy/pdb
PDB entry 7fyy coloured by chain, front view.
PDB entry 7fyy coloured by chain, side view.
PDB entry 7fyy coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Ehler A, Benz J, Obst U, Steudler Y, 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 WA4 1 x WA4
Ligand SO4 1 x SO4
Ligand FMT 1 x FMT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 32.349Å b: 53.79Å c: 75.227Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.132 0.131 0.15
Expression system: Escherichia coli BL21(DE3)

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