› 3by0

X-ray diffraction
2.57Å resolution

Crystal structure of Siderocalin (NGAL, Lipocalin 2) W79A-R81A complexed with Ferric Enterobactin

Released:
DOI: 10.2210/pdb3by0/pdb
PDB entry 3by0 coloured by chain, front view.
PDB entry 3by0 coloured by chain, side view.
PDB entry 3by0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The siderocalin/enterobactin interaction: a link between mammalian immunity and bacterial iron transport.
Abergel RJ, Clifton MC, Pizarro JC, Warner JA, Shuh DK, Strong RK, Raymond KN
J Am Chem Soc 130 11524-34 (2008)
PMID: 18680288

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-160356 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Neutrophil gelatinase-associated lipocalin Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 198 amino acids
Theoretical weight: 22.4 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P80188 (Residues: 1-198; Coverage: 100%)
Gene names: HNL, LCN2, NGAL
Sequence domains: Lipocalin / cytosolic fatty-acid binding protein family
Structure domains: Lipocalin

Ligands and Environments

5 bound ligands:
Ligand FE 3 x FE
Ligand SO4 2 x SO4
Ligand DBS 3 x DBS
Ligand DBH 4 x DBH
Ligand GOL 3 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P41212
Unit cell:
a: 114.358Å b: 114.358Å c: 119.042Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.249 0.248 0.262
Expression system: Escherichia coli

Quick links

Citations

18 review citations

Microbial iron acquisition: marine and terrestrial siderophores.
Sandy et al. (2009)
17 more

1 mention without citation

Beyond iron: non-classical biological functions of bacterial siderophores.
Johnstone et al. (2015)