› 4tkh

X-ray diffraction
0.93Å resolution

The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with myristic acid

Released:
DOI: 10.2210/pdb4tkh/pdb
PDB entry 4tkh coloured by chain, front view.
PDB entry 4tkh coloured by chain, side view.
PDB entry 4tkh coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Water-mediated recognition of simple alkyl chains by heart-type fatty-acid-binding protein.
Matsuoka S, Sugiyama S, Matsuoka D, Hirose M, Lethu S, Ano H, Hara T, Ichihara O, Kimura SR, Murakami S, Ishida H, Mizohata E, Inoue T, Murata M
Angew Chem Int Ed Engl 54 1508-11 (2015)
PMID: 25491543

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138660 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Fatty acid-binding protein, heart Chain: A
Molecule details ›
Chain: A
Length: 133 amino acids
Theoretical weight: 14.88 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P05413 (Residues: 1-133; Coverage: 100%)
Gene names: FABP11, FABP3, MDGI
Sequence domains: Lipocalin / cytosolic fatty-acid binding protein family
Structure domains: Lipocalin

Ligands and Environments

2 bound ligands:
Ligand MYR 1 x MYR
Ligand P6G 1 x P6G
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL44XU
Spacegroup: P212121
Unit cell:
a: 54.568Å b: 69.475Å c: 33.835Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.116 0.115 0.126
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

The Molecular Origin of Enthalpy/Entropy Compensation in Biomolecular Recognition.
Fox et al. (2018)
1 more

2 mentions without citation

High-resolution neutron and X-ray diffraction room-temperature studies of an H-FABP-oleic acid complex: study of the internal water cluster and ligand binding by a transferred multipolar electron-density distribution.
Howard et al. (2016)
1 more