Magnesium in PDB 2occ: Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State

All present enzymatic activity of Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State:
1.9.3.1;

The structure of Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State, PDB code: 2occ was solved by T.Tsukihara, M.Yao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	189.100, 210.500, 178.600, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 24.4

The structure of Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Iron	(Fe)	4 atoms
Copper	(Cu)	6 atoms
Sodium	(Na)	2 atoms

The binding sites of Magnesium atom in the Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (pdb code 2occ). 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 at the Fully Oxidized State, PDB code: 2occ:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Bovine Heart Cytochrome C Oxidase at the Fully Oxidized 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 at the Fully Oxidized State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg518 b:19.3 occ:1.00 OE1 B:GLU198 2.0 20.9 1.0 OD2 A:ASP369 2.1 17.8 1.0 NE2 A:HIS368 2.2 19.9 1.0 CE1 A:HIS368 2.9 19.2 1.0 CD B:GLU198 3.3 26.4 1.0 CD2 A:HIS368 3.3 23.6 1.0 CG A:ASP369 3.3 19.0 1.0 OE2 B:GLU198 4.0 27.2 1.0 O B:SER197 4.0 24.1 1.0 CB A:ASP369 4.1 15.0 1.0 ND1 A:HIS368 4.1 16.7 1.0 OD1 A:ASP369 4.2 20.3 1.0 OD2 B:ASP173 4.3 32.2 1.0 CG A:HIS368 4.3 16.9 1.0 CG B:GLU198 4.4 21.2 1.0 CB B:GLU198 4.6 18.4 1.0 OD1 B:ASP173 4.6 25.1 1.0 OG1 A:THR294 4.7 15.6 1.0 CA B:GLU198 4.9 18.4 1.0 CG B:ASP173 4.9 29.3 1.0

Magnesium binding site 2 out of 2 in the Bovine Heart Cytochrome C Oxidase at the Fully Oxidized 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 at the Fully Oxidized State within 5.0Å range: probe atom residue distance (Å) B Occ N:Mg518 b:33.5 occ:1.00 OD2 N:ASP369 2.1 34.2 1.0 OE1 O:GLU198 2.1 32.7 1.0 NE2 N:HIS368 2.2 32.4 1.0 CE1 N:HIS368 2.9 28.8 1.0 CG N:ASP369 3.3 34.5 1.0 CD O:GLU198 3.3 33.5 1.0 CD2 N:HIS368 3.4 33.0 1.0 OE2 O:GLU198 4.0 28.8 1.0 O O:SER197 4.0 42.3 1.0 ND1 N:HIS368 4.1 30.5 1.0 CB N:ASP369 4.1 31.5 1.0 OD1 N:ASP369 4.2 35.9 1.0 OD2 O:ASP173 4.3 35.7 1.0 CG N:HIS368 4.3 27.9 1.0 CG O:GLU198 4.4 31.2 1.0 CB O:GLU198 4.7 29.8 1.0 OD1 O:ASP173 4.7 30.6 1.0 OG1 N:THR294 4.7 24.6 1.0 CA O:GLU198 4.9 30.5 1.0 CG O:ASP173 4.9 35.5 1.0

S.Yoshikawa, K.Shinzawa-Itoh, R.Nakashima, R.Yaono, E.Yamashita, N.Inoue, M.Yao, M.J.Fei, C.P.Libeu, T.Mizushima, H.Yamaguchi, T.Tomizaki, T.Tsukihara. Redox-Coupled Crystal Structural Changes in Bovine Heart Cytochrome C Oxidase. Science V. 280 1723 1998.
ISSN: ISSN 0036-8075
PubMed: 9624044
DOI: 10.1126/SCIENCE.280.5370.1723