Magnesium in PDB 2zxw: Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (1-S X- Ray Exposure Dataset)

All present enzymatic activity of Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (1-S X- Ray Exposure Dataset):
1.9.3.1;

The structure of Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (1-S X- Ray Exposure Dataset), PDB code: 2zxw was solved by H.Aoyama, K.Muramoto, K.Shinzawa-Itoh, K.Hirata, E.Yamashita, T.Tsukihara, T.Ogura, S.Yoshikawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	184.156, 207.621, 178.247, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 23.3

The structure of Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (1-S X- Ray Exposure Dataset) 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 (1-S X- Ray Exposure Dataset) (pdb code 2zxw). 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 (1-S X- Ray Exposure Dataset), PDB code: 2zxw:
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 (1-S X- Ray Exposure Dataset)


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 (1-S X- Ray Exposure Dataset) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg518 b:21.9 occ:1.00 O B:HOH2032 1.9 29.8 1.0 NE2 A:HIS368 2.0 16.5 1.0 O B:HOH2031 2.1 14.8 1.0 OD1 A:ASP369 2.2 18.0 1.0 OE1 B:GLU198 2.2 25.8 1.0 O A:HOH2033 2.2 16.1 1.0 CE1 A:HIS368 2.8 12.2 1.0 CD2 A:HIS368 3.2 18.0 1.0 CD B:GLU198 3.3 27.5 1.0 CG A:ASP369 3.4 15.5 1.0 OE2 B:GLU198 3.7 31.1 1.0 O A:HOH2038 3.8 16.2 1.0 ND1 A:HIS368 4.0 11.8 1.0 O A:HOH2035 4.0 9.2 1.0 O A:HOH2023 4.1 9.1 1.0 OD2 A:ASP369 4.1 11.9 1.0 CG A:HIS368 4.2 16.9 1.0 OD2 B:ASP173 4.3 21.6 1.0 O A:HOH2020 4.3 16.5 1.0 OD1 B:ASP173 4.3 20.6 1.0 O B:SER197 4.3 18.1 1.0 OG1 A:THR294 4.4 20.4 1.0 CB A:ASP369 4.4 14.5 1.0 CG B:GLU198 4.6 22.8 1.0 CG B:ASP173 4.7 22.1 1.0 O A:HOH2010 4.8 8.1 1.0 O B:HOH2054 4.9 28.2 1.0

Magnesium binding site 2 out of 2 in the Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (1-S X- Ray Exposure Dataset)


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 (1-S X- Ray Exposure Dataset) within 5.0Å range: probe atom residue distance (Å) B Occ N:Mg1518 b:26.9 occ:1.00 NE2 N:HIS368 2.1 22.2 1.0 O O:HOH3032 2.1 35.3 1.0 OD1 N:ASP369 2.2 25.9 1.0 OE1 O:GLU198 2.2 24.4 1.0 O O:HOH3031 2.3 21.9 1.0 O O:HOH3033 2.3 20.4 1.0 CE1 N:HIS368 2.8 19.7 1.0 CD2 N:HIS368 3.2 20.6 1.0 CD O:GLU198 3.3 27.1 1.0 CG N:ASP369 3.4 25.8 1.0 OE2 O:GLU198 3.7 25.2 1.0 O N:HOH3038 3.7 12.3 1.0 O N:HOH3035 3.9 12.5 1.0 ND1 N:HIS368 4.0 14.2 1.0 O N:HOH3020 4.1 17.2 1.0 OD2 N:ASP369 4.2 23.6 1.0 CG N:HIS368 4.3 17.9 1.0 O N:HOH3023 4.3 24.1 1.0 CB N:ASP369 4.3 22.4 1.0 O O:SER197 4.4 26.2 1.0 O N:HOH3010 4.5 28.6 1.0 OD2 O:ASP173 4.5 30.1 1.0 CG O:GLU198 4.6 24.5 1.0 OD1 O:ASP173 4.7 24.9 1.0 OG1 N:THR294 4.7 24.3 1.0 O O:HOH3054 4.8 60.2 1.0 CG O:ASP173 5.0 27.3 1.0 CE1 N:TYR129 5.0 22.7 1.0

H.Aoyama, K.Muramoto, K.Shinzawa-Itoh, K.Hirata, E.Yamashita, T.Tsukihara, T.Ogura, S.Yoshikawa. A Peroxide Bridge Between Fe and Cu Ions in the O2 Reduction Site of Fully Oxidized Cytochrome C Oxidase Could Suppress the Proton Pump Proc.Natl.Acad.Sci.Usa V. 106 2165 2009.
ISSN: ISSN 0027-8424
PubMed: 19164527
DOI: 10.1073/PNAS.0806391106