› 2mm3

Solution NMR

Solution NMR structure of the ternary complex of human ileal bile acid-binding protein with glycocholate and glycochenodeoxycholate

Released:
DOI: 10.2210/pdb2mm3/pdb
PDB entry 2mm3 coloured by chain, ensemble of 10 models, front view.
PDB entry 2mm3 coloured by chain, ensemble of 10 models, side view.
PDB entry 2mm3 coloured by chain, ensemble of 10 models, top view.
Source organism: Homo sapiens
Primary publication:
Structural determinants of ligand binding in the ternary complex of human ileal bile acid binding protein with glycocholate and glycochenodeoxycholate obtained from solution NMR.
Horváth G, Bencsura Á, Simon Á, Tochtrop GP, DeKoster GT, Covey DF, Cistola DP, Toke O
FEBS J 283 541-55 (2016)
PMID: 26613247

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-156316 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Gastrotropin Chain: A
Molecule details ›
Chain: A
Length: 127 amino acids
Theoretical weight: 14.26 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P51161 (Residues: 2-128; Coverage: 99%)
Gene names: FABP6, ILBP, ILLBP
Sequence domains: Lipocalin / cytosolic fatty-acid binding protein family
Structure domains: Lipocalin

Ligands and Environments

2 bound ligands:
Ligand GCH 1 x GCH
Ligand CHO 1 x CHO
No modified residues

Experiments and Validation Details

Entry percentile scores
Chemical shift assignment: 92%
Refinement method: simulated annealing, torsion angle dynamics
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Intestinal Absorption of Bile Acids in Health and Disease.
Ticho et al. (2019)
4 other articles

6 mentions without citation

Structural and Dynamic Determinants of Molecular Recognition in Bile Acid-Binding Proteins.
Toke O. (2022)
5 more