3nl7

X-ray diffraction
1.8Å resolution

Human Hemoglobin A mutant beta H63W carbonmonoxy-form

Released:
Source organism: Homo sapiens
Primary publication:
Blocking the gate to ligand entry in human hemoglobin.
J. Biol. Chem. 286 10515-29 (2011)
PMID: 21193395

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Hemoglobin subunit alpha Chain: A
Molecule details ›
Chain: A
Length: 141 amino acids
Theoretical weight: 15.15 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 Chain: B
Molecule details ›
Chain: B
Length: 146 amino acids
Theoretical weight: 15.94 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:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P41212
Unit cell:
a: 53.21Å b: 53.21Å c: 191.78Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.186 0.233
Expression system: Escherichia coli