› 2w72

X-ray diffraction
1.07Å resolution

DEOXYGENATED STRUCTURE OF A DISTAL SITE HEMOGLOBIN MUTANT PLUS XE

Released:
DOI: 10.2210/pdb2w72/pdb
PDB entry 2w72 coloured by chain, front view.
PDB entry 2w72 coloured by chain, side view.
PDB entry 2w72 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Pattern of cavities in globins: the case of human hemoglobin.
Savino C, Miele AE, Draghi F, Johnson KA, Sciara G, Brunori M, Vallone B
Biopolymers 91 1097-107 (2009)
PMID: 19365817

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-159518 (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: 15.19 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P69905 (Residues: 2-142; Coverage: 99%)
Gene names: HBA1, HBA2
Sequence domains: Globin
Structure domains: Globins
Hemoglobin subunit beta Chains: B, D
Molecule details ›
Chains: B, D
Length: 146 amino acids
Theoretical weight: 15.96 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P68871 (Residues: 2-147; Coverage: 99%)
Gene name: HBB
Sequence domains: Globin
Structure domains: Globins
Hemoglobin subunit alpha Chain: C
Molecule details ›
Chain: C
Length: 141 amino acids
Theoretical weight: 15.22 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P69905 (Residues: 2-142; Coverage: 99%)
Gene names: HBA1, HBA2
Sequence domains: Globin
Structure domains: Globins

Ligands and Environments

5 bound ligands:
Ligand HEM 4 x HEM
Ligand SO4 8 x SO4
Ligand XE 15 x XE
Ligand K 3 x K
Ligand PO4 1 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE BW7A
Spacegroup: P21
Unit cell:
a: 61.957Å b: 82.447Å c: 53.531Å
α: 90° β: 99.6° γ: 90°
R-values:
R R work R free
0.13 0.129 0.153
Expression system: Escherichia coli

Quick links

Citations

1 review citation

New look at hemoglobin allostery.
Yuan et al. (2015)
29 other articles

3 mentions without citation

The RCSB Protein Data Bank: views of structural biology for basic and applied research and education.
Rose et al. (2015)
2 more