› 1yie

X-ray diffraction
2.4Å resolution

T-to-thigh quaternary transitions in human hemoglobin: betaW37A oxy (2.2MM IHP, 13% PEG) (1 test set)

Released:
DOI: 10.2210/pdb1yie/pdb
PDB entry 1yie coloured by chain, front view.
PDB entry 1yie coloured by chain, side view.
PDB entry 1yie coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Kavanaugh JS, Rogers PH, Arnone A
Biochemistry 44 6101-21 (2005)
PMID: 15835899

Function and Biology Details

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

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, C
Molecule details ›
Chains: A, C
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, D
Molecule details ›
Chains: B, D
Length: 146 amino acids
Theoretical weight: 15.81 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

Ligands and Environments

2 bound ligands:
Ligand HEM 4 x HEM
Ligand OXY 4 x OXY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P21212
Unit cell:
a: 96.2Å b: 99Å c: 66.8Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.185 0.185 0.273
Expression system: Escherichia coli

Quick links

Citations

9 review citations

New look at hemoglobin allostery.
Yuan et al. (2015)
8 more