› 3czy

X-ray diffraction
1.54Å resolution

Crystal Structure of Human Heme Oxygenase-1 in Complex with 1-(Adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone

Released:
DOI: 10.2210/pdb3czy/pdb
PDB entry 3czy coloured by chain, front view.
PDB entry 3czy coloured by chain, side view.
PDB entry 3czy coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
X-ray crystal structure of human heme oxygenase-1 in complex with 1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone: a common binding mode for imidazole-based heme oxygenase-1 inhibitors.
Rahman MN, Vlahakis JZ, Szarek WA, Nakatsu K, Jia Z
J Med Chem 51 5943-52 (2008)
PMID: 18798608

Function and Biology Details

Reaction catalysed: 
Protoheme + 3 [reduced NADPH--hemoprotein reductase] + 3 O(2) = biliverdin + Fe(2+) + CO + 3 [oxidized NADPH--hemoprotein reductase] + 3 H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-140705 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Heme oxygenase 1 soluble form Chains: A, B
Molecule details ›
Chains: A, B
Length: 233 amino acids
Theoretical weight: 26.9 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli DH5[alpha]
UniProt:
  • Canonical: P09601 (Residues: 1-233; Coverage: 81%)
Gene names: HMOX1, HO, HO1
Sequence domains: Heme oxygenase
Structure domains: Heme oxygenase-like

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
1 bound ligand:
Ligand AD8 2 x AD8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE F1
Spacegroup: P21
Unit cell:
a: 52Å b: 52.446Å c: 74.488Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.195 0.194 0.226
Expression system: Escherichia coli DH5[alpha]

Quick links

Citations

3 review citations

Novel lead structures and activation mechanisms for CO-releasing molecules (CORMs).
Schatzschneider U. (2015)
2 more

6 mentions without citation

Structural insights into human heme oxygenase-1 inhibition by potent and selective azole-based compounds.
Rahman et al. (2013)
5 more