› 6gr0

X-ray diffraction
2.5Å resolution

Petrobactin-binding engineered lipocalin in complex with gallium-petrobactin

Released:
DOI: 10.2210/pdb6gr0/pdb
PDB entry 6gr0 coloured by chain, front view.
PDB entry 6gr0 coloured by chain, side view.
PDB entry 6gr0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Reprogramming Human Siderocalin To Neutralize Petrobactin, the Essential Iron Scavenger of Anthrax Bacillus.
Dauner M, Eichinger A, Lücking G, Scherer S, Skerra A
Angew Chem Int Ed Engl 57 14619-14623 (2018)
PMID: 30063283

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-160356 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Neutrophil gelatinase-associated lipocalin Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 174 amino acids
Theoretical weight: 20.13 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P80188 (Residues: 25-198; Coverage: 98%)
Gene names: HNL, LCN2, NGAL
Sequence domains: Lipocalin / cytosolic fatty-acid binding protein family
Structure domains: Lipocalin

Ligands and Environments

2 bound ligands:
Ligand F8W 6 x F8W
Ligand GA 7 x GA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: I222
Unit cell:
a: 95.336Å b: 112.17Å c: 124.849Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.164 0.162 0.209
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Iron Acquisition Systems of Gram-negative Bacterial Pathogens Define TonB-Dependent Pathways to Novel Antibiotics.
Klebba et al. (2021)
1 other article

3 mentions without citation

Scavenging Bacterial Siderophores with Engineered Lipocalin Proteins as an Alternative Antimicrobial Strategy.
Dauner et al. (2020)
2 more