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

X-ray diffraction
3.01Å resolution
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:
Assembly composition:
hetero trimer (preferred)
Entry contents: 3 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Multimeric state: hetero trimer
Accessible surface area: 19556.68 Å2
Buried surface area: 5294.23 Å2
Dissociation area: 630.2 Å2
Dissociation energy (ΔGdiss): -1.39 kcal/mol
Dissociation entropy (TΔSdiss): 11.96 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-159515
Assembly 2
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Multimeric state: hetero trimer
Accessible surface area: 20200.66 Å2
Buried surface area: 5288.28 Å2
Dissociation area: 639.79 Å2
Dissociation energy (ΔGdiss): -1.17 kcal/mol
Dissociation entropy (TΔSdiss): 12.03 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-159515

Macromolecules

Hemoglobin subunit alpha
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
Pfam: Globin
InterPro:
CATH: Globins
Hemoglobin subunit alpha in PDB entry 3szk, assembly 1, front view.
Hemoglobin subunit alpha in PDB entry 3szk, assembly 1, side view.
Hemoglobin subunit alpha in PDB entry 3szk, assembly 1, top view.
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Hemoglobin subunit beta
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
Pfam: Globin
InterPro:
CATH: Globins
Hemoglobin subunit beta in PDB entry 3szk, assembly 1, front view.
Hemoglobin subunit beta in PDB entry 3szk, assembly 1, side view.
Hemoglobin subunit beta in PDB entry 3szk, assembly 1, top view.
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Iron-regulated surface determinant protein H
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
Pfam: Iron Transport-associated domain
InterPro:
CATH: Immunoglobulin-like
Iron-regulated surface determinant protein H in PDB entry 3szk, assembly 1, front view.
Iron-regulated surface determinant protein H in PDB entry 3szk, assembly 1, side view.
Iron-regulated surface determinant protein H in PDB entry 3szk, assembly 1, top view.
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