PDBe 3ic0

X-ray diffraction
1.8Å resolution

Crystal Structure of liganded hemoglobin in complex with a potent antisickling agent, INN-298

Released:
Source organism: Homo sapiens
Entry authors: Safo MK, Musayev FN, Gandhi AK, Jorge P

Function and Biology Details

Structure analysis Details

Assemblies composition:
hetero tetramer
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Hemoglobin subunit beta Chains: B, D
Molecule details ›
Chains: B, D
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
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

Ligands and Environments


No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P3221
Unit cell:
a: 91.978Å b: 91.978Å c: 143.942Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.211 0.201 0.23