› 1aa4

X-ray diffraction
2.1Å resolution

SPECIFICITY OF LIGAND BINDING IN A BURIED POLAR CAVITY OF CYTOCHROME C PEROXIDASE

Released:
DOI: 10.2210/pdb1aa4/pdb
PDB entry 1aa4 coloured by chain, front view.
PDB entry 1aa4 coloured by chain, side view.
PDB entry 1aa4 coloured by chain, top view.
Source organism: Saccharomyces cerevisiae
Primary publication:
A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Fitzgerald MM, Musah RA, McRee DE, Goodin DB
Nat Struct Biol 3 626-31 (1996)
PMID: 8673607

Function and Biology Details

Reaction catalysed: 
2 ferrocytochrome c + H(2)O(2) = 2 ferricytochrome c + 2 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-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: 33.46 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
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH2R
Spacegroup: P212121
Unit cell:
a: 108Å b: 77.3Å c: 51.8Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.189 not available
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Suicide inactivation of peroxidases and the challenge of engineering more robust enzymes.
Valderrama et al. (2002)
27 other articles

1 mention without citation

Predictive power of molecular dynamics receptor structures in virtual screening.
Nichols et al. (2011)