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Capturing the haemoglobin allosteric transition in a single crystal form; Crystal structure of half-liganded human haemoglobin without phosphate at 2.8 A resolution.

X-ray diffraction
2.809Å resolution
PDB entry 4n7p coloured by chain, front view.
PDB entry 4n7p coloured by chain, side view.
PDB entry 4n7p coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
hetero tetramer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Hemoglobin HbA complex
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Multimeric state: hetero tetramer
Accessible surface area: 23522.81 Å2
Buried surface area: 11082.88 Å2
Dissociation area: 1,431.52 Å2
Dissociation energy (ΔGdiss): 3.07 kcal/mol
Dissociation entropy (TΔSdiss): 13.65 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-159519
Complex Portal ID: CPX-2158
Assembly 2
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Assembly Name: Hemoglobin HbA complex
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Multimeric state: hetero tetramer
Accessible surface area: 24088.37 Å2
Buried surface area: 10694.3 Å2
Dissociation area: 3,053.93 Å2
Dissociation energy (ΔGdiss): 0.27 kcal/mol
Dissociation entropy (TΔSdiss): 36.67 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-159519
Complex Portal ID: CPX-2158
Assembly 3
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Assembly Name: Hemoglobin HbA complex
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Multimeric state: hetero tetramer
Accessible surface area: 23701.9 Å2
Buried surface area: 11053.98 Å2
Dissociation area: 1,389.21 Å2
Dissociation energy (ΔGdiss): -2.83 kcal/mol
Dissociation entropy (TΔSdiss): 13.65 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-159519
Complex Portal ID: CPX-2158

Macromolecules

Hemoglobin subunit alpha
Chains: A, C, E, G, I, K
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 4n7p, assembly 1, front view.
Hemoglobin subunit alpha in PDB entry 4n7p, assembly 1, side view.
Hemoglobin subunit alpha in PDB entry 4n7p, assembly 1, top view.
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Hemoglobin subunit beta
Chains: B, D, F, H, J, L
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 4n7p, assembly 1, front view.
Hemoglobin subunit beta in PDB entry 4n7p, assembly 1, side view.
Hemoglobin subunit beta in PDB entry 4n7p, assembly 1, top view.
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