› 4fc3

X-ray diffraction
2.26Å resolution

Crystal Structure of Human Methaemoglobin Complexed with the Second NEAT Domain of IsdH from Staphylococcus aureus

Released:
DOI: 10.2210/pdb4fc3/pdb
PDB entry 4fc3 coloured by chain, front view.
PDB entry 4fc3 coloured by chain, side view.
PDB entry 4fc3 coloured by chain, top view.
Source organisms:
Primary publication:
Structure of the hemoglobin-IsdH complex reveals the molecular basis of iron capture by Staphylococcus aureus.
Dickson CF, Kumar KK, Jacques DA, Malmirchegini GR, Spirig T, Mackay JP, Clubb RT, Guss JM, Gell DA
J Biol Chem 289 6728-6738 (2014)
PMID: 24425866

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-159522 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Hemoglobin subunit alpha Chain: A
Molecule details ›
Chain: A
Length: 141 amino acids
Theoretical weight: 15.15 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P69905 (Residues: 2-142; Coverage: 99%)
Gene names: HBA1, HBA2
Sequence domains: Globin
Structure domains: Globins
Hemoglobin subunit beta Chain: B
Molecule details ›
Chain: B
Length: 146 amino acids
Theoretical weight: 15.89 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P68871 (Residues: 2-147; Coverage: 99%)
Gene name: HBB
Sequence domains: Globin
Structure domains: Globins
Iron-regulated surface determinant protein H Chain: E
Molecule details ›
Chain: E
Length: 164 amino acids
Theoretical weight: 18.81 KDa
Source organism: Staphylococcus aureus subsp. aureus MW2
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8NW39 (Residues: 321-464; Coverage: 17%)
Gene names: MW1674, harA, isdH, sasI
Sequence domains: Iron Transport-associated domain
Structure domains: Immunoglobulin-like

Ligands and Environments

1 bound ligand:
Ligand HEM 2 x HEM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: C2221
Unit cell:
a: 67.041Å b: 149.581Å c: 86.265Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.221 0.219 0.256
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Recent developments in understanding the iron acquisition strategies of gram positive pathogens.
Sheldon et al. (2015)
4 more

5 mentions without citation

Structure of the hemoglobin-IsdH complex reveals the molecular basis of iron capture by Staphylococcus aureus.
Dickson et al. (2014)
4 more