› 4cvj

Hybrid

Neutron Structure of Compound I intermediate of Cytochrome c Peroxidase - Deuterium exchanged 100 K

Released:
DOI: 10.2210/pdb4cvj/pdb
PDB entry 4cvj coloured by chain, front view.
PDB entry 4cvj coloured by chain, side view.
PDB entry 4cvj coloured by chain, top view.
Source organism: Saccharomyces cerevisiae
Primary publication:
Heme enzymes. Neutron cryo-crystallography captures the protonation state of ferryl heme in a peroxidase.
Casadei CM, Gumiero A, Metcalfe CL, Murphy EJ, Basran J, Concilio MG, Teixeira SC, Schrader TE, Fielding AJ, Ostermann A, Blakeley MP, Raven EL, Moody PC
Science 345 193-7 (2014)
PMID: 25013070

Function and Biology Details

Reaction catalysed: 
2 ferrocytochrome c + H(2)O(2) = 2 ferricytochrome c + 2 H(2)O
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132475 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome c peroxidase, mitochondrial Chain: A
Molecule details ›
Chain: A
Length: 294 amino acids
Theoretical weight: 33.63 KDa
Source organism: Saccharomyces cerevisiae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00431 (Residues: 71-361; Coverage: 81%)
Gene names: CCP, CCP1, CPO, YKR066C
Sequence domains: Peroxidase
Structure domains:

Ligands and Environments


Cofactor: Ligand HEM 1 x HEM
1 bound ligand:
Ligand DOD 315 x DOD
No modified residues

Experiments and Validation Details

Experimental Method: Neutron Diffraction, X-ray diffraction
X-ray source: RIGAKU MICROMAX-007 HF, FRM II BEAMLINE BIODIFF
Spacegroup: P212121
Unit cell:
a: 51.19Å b: 75.83Å c: 107.59Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.152 0.149 0.205
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

11 review citations

Neutron protein crystallography: A complementary tool for locating hydrogens in proteins.
O'Dell et al. (2016)
10 more

5 mentions without citation

Oxygen Activation and Radical Transformations in Heme Proteins and Metalloporphyrins.
Huang et al. (2018)
4 more