Calcium in PDB 8h8s: Bovine Heart Cytochrome C Oxidase in the Calcium-Bound Fully Reduced State

All present enzymatic activity of Bovine Heart Cytochrome C Oxidase in the Calcium-Bound Fully Reduced State:
7.1.1.9;

The structure of Bovine Heart Cytochrome C Oxidase in the Calcium-Bound Fully Reduced State, PDB code: 8h8s was solved by K.Muramoto, K.Shinzawa-Itoh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	182.1, 204.7, 177.9, 90, 90, 90
R / Rfree (%)	12.4 / 15.7

The structure of Bovine Heart Cytochrome C Oxidase in the Calcium-Bound Fully Reduced State also contains other interesting chemical elements:

Iron	(Fe)	4 atoms
Zinc	(Zn)	2 atoms
Magnesium	(Mg)	2 atoms
Copper	(Cu)	6 atoms

The binding sites of Calcium atom in the Bovine Heart Cytochrome C Oxidase in the Calcium-Bound Fully Reduced State (pdb code 8h8s). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Bovine Heart Cytochrome C Oxidase in the Calcium-Bound Fully Reduced State, PDB code: 8h8s:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Bovine Heart Cytochrome C Oxidase in the Calcium-Bound Fully Reduced State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bovine Heart Cytochrome C Oxidase in the Calcium-Bound Fully Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca605 b:41.6 occ:1.00 O A:GLU40 2.3 38.5 1.0 O A:HOH877 2.3 49.8 1.0 O A:HOH722 2.3 52.2 1.0 O A:GLN43 2.4 35.6 1.0 O A:HOH811 2.4 42.8 1.0 O A:GLY45 2.5 40.2 1.0 OE1 A:GLU40 2.5 42.0 1.0 C A:GLU40 3.4 33.9 1.0 C A:GLY45 3.5 34.1 1.0 C A:GLN43 3.6 36.6 1.0 CD A:GLU40 3.7 38.6 1.0 N A:LEU47 4.0 41.0 1.0 CA A:GLU40 4.0 32.2 1.0 CA A:THR46 4.1 42.3 1.0 C A:PRO44 4.1 39.6 1.0 N A:THR46 4.1 38.6 1.0 C A:THR46 4.2 45.1 1.0 N A:GLY45 4.2 36.9 1.0 CG A:GLU40 4.2 37.1 1.0 N A:GLN43 4.3 35.0 1.0 O A:PRO44 4.3 35.6 1.0 CB A:LEU47 4.4 44.0 1.0 CA A:GLY45 4.4 38.7 1.0 CA A:GLN43 4.4 35.5 1.0 N A:PRO44 4.5 37.4 1.0 N A:LEU41 4.5 32.2 1.0 CA A:PRO44 4.5 38.5 1.0 O A:SER441 4.6 35.3 1.0 O A:ALA39 4.7 35.8 1.0 OE2 A:GLU40 4.7 40.8 1.0 CA A:LEU41 4.8 33.0 1.0 CB A:GLU40 4.8 32.8 1.0 CA A:LEU47 4.8 43.5 1.0 CB A:GLN43 4.8 46.4 1.0 OD1 A:ASP442 4.9 36.8 1.0 C A:LEU41 4.9 33.9 1.0 O A:THR46 5.0 49.2 1.0

Calcium binding site 2 out of 2 in the Bovine Heart Cytochrome C Oxidase in the Calcium-Bound Fully Reduced State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Bovine Heart Cytochrome C Oxidase in the Calcium-Bound Fully Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ N:Ca605 b:47.5 occ:1.00 O N:GLU40 2.2 44.4 1.0 OE1 N:GLU40 2.3 49.7 1.0 O N:HOH2953 2.4 54.3 1.0 O N:HOH2878 2.4 46.8 1.0 O N:GLN43 2.4 43.3 1.0 O N:HOH2920 2.4 48.3 1.0 O N:GLY45 2.5 48.5 1.0 C N:GLU40 3.4 39.4 1.0 CD N:GLU40 3.5 49.7 1.0 C N:GLY45 3.5 43.4 1.0 C N:GLN43 3.6 45.8 1.0 CA N:GLU40 4.0 41.8 1.0 N N:LEU47 4.0 50.2 1.0 CG N:GLU40 4.1 45.5 1.0 CA N:THR46 4.2 50.5 1.0 C N:PRO44 4.2 46.3 1.0 C N:THR46 4.2 56.8 1.0 N N:THR46 4.2 42.8 1.0 N N:GLY45 4.3 43.6 1.0 N N:GLN43 4.3 40.0 1.0 O N:PRO44 4.3 48.2 1.0 CB N:LEU47 4.4 51.0 1.0 CA N:GLN43 4.5 46.9 1.0 N N:LEU41 4.5 40.2 1.0 CA N:GLY45 4.5 45.9 1.0 N N:PRO44 4.5 43.6 1.0 OE2 N:GLU40 4.5 45.7 1.0 CG N:GLN43 4.5 81.8 1.0 CA N:PRO44 4.5 48.0 1.0 O N:SER441 4.6 42.8 1.0 O N:ALA39 4.7 43.4 1.0 CB N:GLU40 4.7 43.5 1.0 CA N:LEU41 4.7 41.2 1.0 CA N:LEU47 4.8 55.6 1.0 OD1 N:ASP442 4.9 45.1 1.0 C N:LEU41 5.0 41.3 1.0

K.Muramoto, K.Shinzawa-Itoh. Calcium-Bound Structure of Bovine Cytochrome C Oxidase. Biochim Biophys Acta 48956 2023BIOENERG.
ISSN: ISSN 1879-2650
PubMed: 36708913
DOI: 10.1016/J.BBABIO.2023.148956