› 1j41

X-ray diffraction
1.45Å resolution

Direct observation of photolysis-induced tertiary structural changes in human haemoglobin; Crystal structure of alpha(Ni)-beta(Fe) hemoglobin (laser photolysed)

Released:
DOI: 10.2210/pdb1j41/pdb
PDB entry 1j41 coloured by chain, front view.
PDB entry 1j41 coloured by chain, side view.
PDB entry 1j41 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Direct observation of photolysis-induced tertiary structural changes in hemoglobin.
Adachi S, Park SY, Tame JR, Shiro Y, Shibayama N
Proc Natl Acad Sci U S A 100 7039-44 (2003)
PMID: 12773618

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, E, G
Molecule details ›
Chains: A, C, E, G
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, F, H
Molecule details ›
Chains: B, D, F, H
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

4 bound ligands:
Ligand HNI 4 x HNI
Ligand HEM 4 x HEM
Ligand CMO 5 x CMO
Ligand 2FU 2 x 2FU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL44B2
Spacegroup: P21
Unit cell:
a: 64.542Å b: 94.565Å c: 99.449Å
α: 90° β: 101.84° γ: 90°
R-values:
R R work R free
0.166 0.164 0.195

Quick links

Citations

3 review citations

Advances in kinetic protein crystallography.
Bourgeois et al. (2005)
2 more

3 mentions without citation

Kappa-alpha plot derived structural alphabet and BLOSUM-like substitution matrix for rapid search of protein structure database.
Tung et al. (2007)
2 more