Magnesium 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:

Calcium	(Ca)	2 atoms
Iron	(Fe)	4 atoms
Zinc	(Zn)	2 atoms
Copper	(Cu)	6 atoms

The binding sites of Magnesium 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 Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Bovine Heart Cytochrome C Oxidase in the Calcium-Bound Fully Reduced State, PDB code: 8h8s:
Jump to Magnesium binding site number: 1; 2;

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg604 b:30.7 occ:1.00 OD2 A:ASP369 2.0 30.9 1.0 OE1 B:GLU198 2.1 36.2 1.0 O B:HOH526 2.1 28.5 1.0 O B:HOH424 2.1 33.8 1.0 O B:HOH465 2.2 29.8 1.0 NE2 A:HIS368 2.2 27.5 1.0 CD2 A:HIS368 3.2 29.4 1.0 CD B:GLU198 3.2 32.2 1.0 CE1 A:HIS368 3.3 29.5 1.0 CG A:ASP369 3.3 32.5 1.0 O B:SER197 3.9 30.1 1.0 O A:HOH885 3.9 31.7 1.0 OE2 B:GLU198 3.9 40.5 1.0 CB A:ASP369 4.0 30.5 1.0 O A:HOH730 4.2 30.0 1.0 OD1 A:ASP369 4.2 32.6 1.0 O A:HOH758 4.3 30.5 1.0 CG B:GLU198 4.3 31.1 1.0 OD2 B:ASP173 4.3 33.5 1.0 O B:HOH448 4.3 28.2 0.7 CG A:HIS368 4.3 28.4 1.0 ND1 A:HIS368 4.4 29.7 1.0 CB B:GLU198 4.4 29.9 1.0 OD1 B:ASP173 4.4 31.3 1.0 O B:HOH436 4.5 32.4 0.6 OG1 A:THR294 4.5 31.2 1.0 O A:HOH827 4.5 30.7 1.0 O A:HOH870 4.6 28.4 1.0 CA B:GLU198 4.8 29.0 1.0 CG B:ASP173 4.8 32.5 1.0 C B:SER197 5.0 29.9 1.0

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg604 b:35.7 occ:1.00 OE1 O:GLU198 2.0 40.3 1.0 OD2 N:ASP369 2.1 37.1 1.0 O O:HOH427 2.1 37.2 1.0 O O:HOH437 2.1 34.3 1.0 O O:HOH496 2.2 34.0 1.0 NE2 N:HIS368 2.3 33.5 1.0 CD2 N:HIS368 3.2 35.1 1.0 CD O:GLU198 3.2 38.3 1.0 CG N:ASP369 3.3 37.8 1.0 CE1 N:HIS368 3.3 36.3 1.0 O O:SER197 3.9 35.2 1.0 O N:HOH2984 4.0 37.2 1.0 OE2 O:GLU198 4.0 43.0 1.0 CB N:ASP369 4.1 36.2 1.0 O N:HOH2818 4.2 36.0 1.0 OD1 N:ASP369 4.2 39.4 1.0 OD2 O:ASP173 4.2 40.1 1.0 O N:HOH2879 4.3 34.8 1.0 CG O:GLU198 4.3 36.1 1.0 O O:HOH425 4.3 32.3 0.7 CG N:HIS368 4.4 32.8 1.0 ND1 N:HIS368 4.4 33.6 1.0 CB O:GLU198 4.4 35.3 1.0 OD1 O:ASP173 4.4 36.8 1.0 O O:HOH445 4.4 32.3 0.4 OG1 N:THR294 4.5 35.4 1.0 O N:HOH2933 4.5 35.2 1.0 O N:HOH2971 4.6 34.3 1.0 CA O:GLU198 4.7 36.4 1.0 CG O:ASP173 4.8 36.5 1.0 C O:SER197 5.0 36.5 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