› 2wiy

X-ray diffraction
1.49Å resolution

Cytochrome P450 XplA heme domain P21212

Released:
DOI: 10.2210/pdb2wiy/pdb
PDB entry 2wiy coloured by chain, front view.
PDB entry 2wiy coloured by chain, side view.
PDB entry 2wiy coloured by chain, top view.
Source organism: Rhodococcus
Primary publication:
The 1.5-A structure of XplA-heme, an unusual cytochrome P450 heme domain that catalyzes reductive biotransformation of royal demolition explosive.
Sabbadin F, Jackson R, Haider K, Tampi G, Turkenburg JP, Hart S, Bruce NC, Grogan G
J Biol Chem 284 28467-28475 (2009)
PMID: 19692330

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-568598 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Flavodoxin-like domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 394 amino acids
Theoretical weight: 43.63 KDa
Source organism: Rhodococcus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8GPH7 (Residues: 159-552; Coverage: 71%)
Gene name: xplA
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

3 bound ligands:
Ligand IMD 1 x IMD
Ligand EDO 6 x EDO
Ligand HEM 1 x HEM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P21212
Unit cell:
a: 124.293Å b: 64.677Å c: 54.048Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.149 0.147 0.178
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Conformational plasticity and structure/function relationships in cytochromes P450.
Pochapsky et al. (2010)
3 more

3 mentions without citation

The 1.5-A structure of XplA-heme, an unusual cytochrome P450 heme domain that catalyzes reductive biotransformation of royal demolition explosive.
Sabbadin et al. (2009)
2 more