› 3kmf

Neutron Diffraction
2Å resolution

Room Temperature Time-of-Flight Neutron Diffraction Study of Deoxy Human Normal Adult Hemoglobin

Released:
DOI: 10.2210/pdb3kmf/pdb
PDB entry 3kmf coloured by chain, front view.
PDB entry 3kmf coloured by chain, side view.
PDB entry 3kmf coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Direct determination of protonation states of histidine residues in a 2 A neutron structure of deoxy-human normal adult hemoglobin and implications for the Bohr effect.
Kovalevsky AY, Chatake T, Shibayama N, Park SY, Ishikawa T, Mustyakimov M, Fisher Z, Langan P, Morimoto Y
J Mol Biol 398 276-91 (2010)
PMID: 20230836

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-159519 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Hemoglobin subunit alpha Chains: A, E
Molecule details ›
Chains: A, E
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: C, G
Molecule details ›
Chains: C, G
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

Ligands and Environments

2 bound ligands:
Ligand HEM 4 x HEM
Ligand DOD 299 x DOD
No modified residues

Experiments and Validation Details

Spacegroup: P21
Unit cell:
a: 63.79Å b: 84.45Å c: 54.35Å α: 90° β: 99.33° γ: 90°
R-values:
R R work R free 0.25 0.25 0.3

Quick links

Citations

3 review citations

Trapping of human hemoglobin by haptoglobin: molecular mechanisms and clinical applications.
Ratanasopa et al. (2013)
2 more

7 mentions without citation

Fifteen years of the Protein Crystallography Station: the coming of age of macromolecular neutron crystallography.
Chen et al. (2017)
6 more