Magnesium in PDB 2eij: Bovine Heart Cytochrome C Oxidase in the Fully Reduced State

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

The structure of Bovine Heart Cytochrome C Oxidase in the Fully Reduced State, PDB code: 2eij was solved by K.Muramoto, K.Hirata, K.Shinzawa-Itoh, S.Yoko-O, E.Yamashita, H.Aoyama, T.Tsukihara, S.Yoshikawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	183.060, 206.584, 178.298, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 23.4

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

Zinc	(Zn)	4 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 in the Fully Reduced State (pdb code 2eij). 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 Fully Reduced State, PDB code: 2eij:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Bovine Heart Cytochrome C Oxidase in the 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 Fully Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg518 b:16.8 occ:1.00 OD1 A:ASP369 2.0 15.9 1.0 OE1 B:GLU198 2.1 19.6 1.0 NE2 A:HIS368 2.2 14.2 1.0 O B:HOH2033 2.3 18.8 1.0 O B:HOH2031 2.3 16.1 1.0 O B:HOH2032 2.3 16.4 1.0 CE1 A:HIS368 3.1 16.1 1.0 CD2 A:HIS368 3.2 15.3 1.0 CG A:ASP369 3.2 18.7 1.0 CD B:GLU198 3.3 22.3 1.0 O B:SER197 3.9 18.1 1.0 O A:HOH2035 3.9 19.2 1.0 CB A:ASP369 4.0 16.3 1.0 OE2 B:GLU198 4.1 23.7 1.0 OD2 A:ASP369 4.2 19.2 1.0 O A:HOH2010 4.2 15.2 1.0 ND1 A:HIS368 4.3 11.8 1.0 OD2 B:ASP173 4.3 23.4 1.0 O A:HOH2038 4.3 14.5 1.0 CG A:HIS368 4.3 14.2 1.0 CG B:GLU198 4.4 17.0 1.0 OD1 B:ASP173 4.4 19.9 1.0 CB B:GLU198 4.5 17.8 1.0 O A:HOH2054 4.5 31.0 1.0 OG1 A:THR294 4.6 15.5 1.0 O A:HOH2020 4.6 14.8 1.0 O A:HOH2023 4.6 15.6 1.0 O B:HOH2055 4.7 33.9 1.0 CA B:GLU198 4.7 17.0 1.0 CG B:ASP173 4.8 24.4 1.0 C B:SER197 5.0 18.8 1.0

Magnesium binding site 2 out of 2 in the Bovine Heart Cytochrome C Oxidase in the 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 Fully Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ N:Mg1518 b:27.0 occ:1.00 OE1 O:GLU198 2.1 27.0 1.0 OD1 N:ASP369 2.1 28.2 1.0 NE2 N:HIS368 2.2 21.1 1.0 O O:HOH3032 2.3 23.7 1.0 O O:HOH3031 2.3 26.8 1.0 O O:HOH3033 2.3 25.9 1.0 CE1 N:HIS368 3.2 17.8 1.0 CD2 N:HIS368 3.2 20.0 1.0 CG N:ASP369 3.3 25.6 1.0 CD O:GLU198 3.3 27.8 1.0 O N:HOH3035 3.9 22.4 1.0 O O:SER197 3.9 24.8 1.0 CB N:ASP369 4.0 24.1 1.0 OE2 O:GLU198 4.0 28.9 1.0 O N:HOH3010 4.2 18.7 1.0 OD2 N:ASP369 4.2 26.6 1.0 OD2 O:ASP173 4.2 28.6 1.0 ND1 N:HIS368 4.3 18.5 1.0 O N:HOH3038 4.4 19.1 1.0 CG O:GLU198 4.4 23.1 1.0 CG N:HIS368 4.4 17.0 1.0 CB O:GLU198 4.5 21.2 1.0 O N:HOH3054 4.6 29.4 1.0 O N:HOH3023 4.6 18.5 1.0 O N:HOH3020 4.6 18.2 1.0 OD1 O:ASP173 4.6 25.9 1.0 OG1 N:THR294 4.6 22.7 1.0 O O:HOH3055 4.7 37.8 1.0 CA O:GLU198 4.7 22.2 1.0 CG O:ASP173 4.8 29.8 1.0

K.Muramoto, K.Hirata, K.Shinzawa-Itoh, S.Yoko-O, E.Yamashita, H.Aoyama, T.Tsukihara, S.Yoshikawa. A Histidine Residue Acting As A Controlling Site For Dioxygen Reduction and Proton Pumping By Cytochrome C Oxidase Proc.Natl.Acad.Sci.Usa V. 104 7881 2007.
ISSN: ISSN 0027-8424
PubMed: 17470809
DOI: 10.1073/PNAS.0610031104