› 4ij2

X-ray diffraction
4.24Å resolution

Human methemoglobin in complex with the second and third NEAT domains of IsdH from Staphylococcus aureus

Released:
DOI: 10.2210/pdb4ij2/pdb
PDB entry 4ij2 coloured by chain, front view.
PDB entry 4ij2 coloured by chain, side view.
PDB entry 4ij2 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 octamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-159520 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Hemoglobin subunit alpha Chains: A, C
Molecule details ›
Chains: A, C
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
Hemoglobin subunit beta Chains: B, D
Molecule details ›
Chains: B, D
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
Iron-regulated surface determinant protein H Chains: E, F, G, H
Molecule details ›
Chains: E, F, G, H
Length: 336 amino acids
Theoretical weight: 38.84 KDa
Source organism: Staphylococcus aureus subsp. aureus USA300
Expression system: Escherichia coli
UniProt:
  • Canonical: Q2FG07 (Residues: 326-660; Coverage: 39%)
Gene names: SAUSA300_1677, harA, isdH, sasI
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand HEM 4 x HEM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P21212
Unit cell:
a: 132.903Å b: 185.297Å c: 103.205Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.3 0.3 0.31
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

9 mentions without citation

Structure-function analyses reveal key features in Staphylococcus aureus IsdB-associated unfolding of the heme-binding pocket of human hemoglobin.
Bowden et al. (2018)
8 more