› 6mfl

X-ray diffraction
1.9Å resolution

Structure of siderophore binding protein BauB bound to a complex between two molecules of acinetobactin and ferric iron.

Released:
DOI: 10.2210/pdb6mfl/pdb
PDB entry 6mfl coloured by chain, front view.
PDB entry 6mfl coloured by chain, side view.
PDB entry 6mfl coloured by chain, top view.
Source organism: Acinetobacter baumannii
Primary publication:
Crystal Structure of the Siderophore Binding Protein BauB Bound to an Unusual 2:1 Complex Between Acinetobactin and Ferric Iron.
Bailey DC, Bohac TJ, Shapiro JA, Giblin DE, Wencewicz TA, Gulick AM
Biochemistry 57 6653-6661 (2018)
PMID: 30406986

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-181157 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Fe/B12 periplasmic-binding domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 308 amino acids
Theoretical weight: 34.76 KDa
Source organism: Acinetobacter baumannii
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q76HK0 (Residues: 23-322; Coverage: 100%)
Gene name: bauB
Sequence domains: Periplasmic binding protein
Structure domains: Nitrogenase molybdenum iron protein domain

Ligands and Environments

3 bound ligands:
Ligand FE 2 x FE
Ligand OPV 4 x OPV
Ligand EDO 2 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2, APS BEAMLINE 23-ID-D
Spacegroup: P21
Unit cell:
a: 37.762Å b: 137.055Å c: 56.208Å
α: 90° β: 90.02° γ: 90°
R-values:
R R work R free
0.172 0.169 0.214
Expression system: Escherichia coli BL21(DE3)

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Citations

2 review citations

Carbapenemases: Transforming Acinetobacter baumannii into a Yet More Dangerous Menace.
Ramirez et al. (2020)
1 more

2 mentions without citation

Iron Acquisition by Bacterial Pathogens: Beyond Tris-Catecholate Complexes.
Zhang et al. (2020)
1 more