› 4xs0

X-ray diffraction
2.55Å resolution

Human methemoglobin in complex with the second and third NEAT domains of IsdH(F365Y/A369F/Y642A) from Staphylococcus aureus

Released:
DOI: 10.2210/pdb4xs0/pdb
PDB entry 4xs0 coloured by chain, front view.
PDB entry 4xs0 coloured by chain, side view.
PDB entry 4xs0 coloured by chain, top view.
Source organisms:
Primary publication:
The structure of haemoglobin bound to the haemoglobin receptor IsdH from Staphylococcus aureus shows disruption of the native α-globin haem pocket.
Dickson CF, Jacques DA, Clubb RT, Guss JM, Gell DA
Acta Crystallogr D Biol Crystallogr 71 1295-306 (2015)
PMID: 26057669

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-159514 (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: C
Molecule details ›
Chain: C
Length: 336 amino acids
Theoretical weight: 38.93 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q2FG07 (Residues: 326-660; Coverage: 39%)
Gene names: SAUSA300_1677, harA, isdH, sasI
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand HEM 2 x HEM
Ligand CL 3 x CL
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P6522
Unit cell:
a: 92.219Å b: 92.219Å c: 365.116Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.261 0.259 0.287
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Haptoglobin.
Andersen et al. (2017)
1 more

11 mentions without citation

Iron Metabolism at the Interface between Host and Pathogen: From Nutritional Immunity to Antibacterial Development.
Marchetti et al. (2020)
10 more