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› 6nln

X-ray diffraction
1.6Å resolution

1.60 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 16)

Released:
DOI: 10.2210/pdb6nln/pdb
Model geometry
Data not analysed
Fit model/data
Data not analysed
PDB entry 6nln coloured by chain, front view.
PDB entry 6nln coloured by chain, side view.
PDB entry 6nln coloured by chain, top view.
Source organism: Pseudomonas aeruginosa PAO1
Primary publication:
Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
Punchi Hewage AND, Yao H, Nammalwar B, Gnanasekaran KK, Lovell S, Bunce RA, Eshelman K, Phaniraj SM, Lee MM, Peterson BR, Battaile KP, Reitz AB, Rivera M
OpenAccess logo J Am Chem Soc 141 8171-8184 (2019)
PMID: 31038945

Function and Biology Details

Reaction catalysed: 
4 Fe(2+) + O2 + 4 H(+) = 4 Fe(3+) + 2 H2O.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo 24-mer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-191138 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bacterioferritin BfrB Chains: A, B, C, D, E, F, G, H, I, J, K, L
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L
Length: 158 amino acids
Theoretical weight: 18.58 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9HY79 (Residues: 1-158; Coverage: 100%)
Gene names: PA3531, bfrB
Sequence domains: Ferritin-like domain
Structure domains: Ferritin

Ligands and Environments

4 bound ligands:
Ligand FE2 3 x FE2
Ligand KSY 13 x KSY
Ligand HEM 7 x HEM
Ligand PG4 27 x PG4
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 17-ID
Spacegroup: C2221
Unit cell:
a: 129.91Å b: 194.883Å c: 203.811Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.148 0.147 0.169
Expression system: Escherichia coli

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Citations

2 review citations

Metallotherapeutics development in the age of iron-clad bacteria.
Centola et al. (2020)
1 more