› 3szk

X-ray diffraction
3.01Å resolution

Crystal Structure of Human metHaemoglobin Complexed with the First NEAT Domain of IsdH from Staphylococcus aureus

Released:
DOI: 10.2210/pdb3szk/pdb
PDB entry 3szk coloured by chain, front view.
PDB entry 3szk coloured by chain, side view.
PDB entry 3szk coloured by chain, top view.
Source organisms:
Primary publication:
Structural basis for hemoglobin capture by Staphylococcus aureus cell-surface protein, IsdH.
Krishna Kumar K, Jacques DA, Pishchany G, Caradoc-Davies T, Spirig T, Malmirchegini GR, Langley DB, Dickson CF, Mackay JP, Clubb RT, Skaar EP, Guss JM, Gell DA
J Biol Chem 286 38439-38447 (2011)
PMID: 21917915

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-159515 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Hemoglobin subunit alpha Chains: A, D
Molecule details ›
Chains: A, D
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 Chains: B, E
Molecule details ›
Chains: B, E
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 Chains: C, F
Molecule details ›
Chains: C, F
Length: 164 amino acids
Theoretical weight: 18.9 KDa
Source organism: Staphylococcus aureus subsp. aureus MW2
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8NW39 (Residues: 86-229; 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 4 x HEM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 65.88Å b: 123.206Å c: 143.933Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.247 0.245 0.275
Expression system: Escherichia coli

Quick links

Citations

7 review citations

Nutritional immunity: transition metals at the pathogen-host interface.
Hood et al. (2012)
6 more

8 mentions without citation

Updates to the Integrated Protein-Protein Interaction Benchmarks: Docking Benchmark Version 5 and Affinity Benchmark Version 2.
Vreven et al. (2015)
7 more