› 5e6e

X-ray diffraction
1.76Å resolution

Crystal Structure of Carbonmonoxy Sickle Hemoglobin in R-State Conformation

Released:
DOI: 10.2210/pdb5e6e/pdb
PDB entry 5e6e coloured by chain, front view.
PDB entry 5e6e coloured by chain, side view.
PDB entry 5e6e coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structure of carbonmonoxy sickle hemoglobin in R-state conformation.
Ghatge MS, Ahmed MH, Omar AS, Pagare PP, Rosef S, Kellogg GE, Abdulmalik O, Safo MK
J Struct Biol 194 446-50 (2016)
PMID: 27085422

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-159519 (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: Homo sapiens
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: 15.86 KDa
Source organism: Homo sapiens
Expression system: 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 CMO 2 x CMO
Ligand HEM 2 x HEM
Ligand MBN 2 x MBN
Ligand PO4 1 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P41212
Unit cell:
a: 53.352Å b: 53.352Å c: 191.068Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.193 0.193 0.243
Expression system: Homo sapiens

Quick links

Citations

4 review citations

Hemoglobin: Structure, Function and Allostery.
Ahmed et al. (2020)
3 more

3 mentions without citation

Rational Drug Design of Peptide-Based Therapies for Sickle Cell Disease.
Olubiyi et al. (2019)
2 more