Magnesium in PDB 7ev7: Bovine Heart Cytochrome C Oxidase in the Carbon Monoxide-Bound Fully Reduced State at A 50 K

All present enzymatic activity of Bovine Heart Cytochrome C Oxidase in the Carbon Monoxide-Bound Fully Reduced State at A 50 K:
7.1.1.9;

The structure of Bovine Heart Cytochrome C Oxidase in the Carbon Monoxide-Bound Fully Reduced State at A 50 K, PDB code: 7ev7 was solved by A.Shimada, S.Yoshikawa, T.Tsukihara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.74 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	181.539, 203.655, 177.569, 90, 90, 90
R / Rfree (%)	15.9 / 17.8

The structure of Bovine Heart Cytochrome C Oxidase in the Carbon Monoxide-Bound Fully Reduced State at A 50 K also contains other interesting chemical elements:

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

The binding sites of Magnesium atom in the Bovine Heart Cytochrome C Oxidase in the Carbon Monoxide-Bound Fully Reduced State at A 50 K (pdb code 7ev7). 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 Carbon Monoxide-Bound Fully Reduced State at A 50 K, PDB code: 7ev7:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Bovine Heart Cytochrome C Oxidase in the Carbon Monoxide-Bound Fully Reduced State at A 50 K


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 Carbon Monoxide-Bound Fully Reduced State at A 50 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg605 b:22.5 occ:1.00 OD2 A:ASP369 2.0 22.1 1.0 O B:HOH454 2.1 19.7 1.0 OE1 B:GLU198 2.1 21.1 1.0 O B:HOH449 2.1 20.4 1.0 O B:HOH523 2.1 19.5 1.0 NE2 A:HIS368 2.2 21.2 1.0 CE1 A:HIS368 3.1 22.0 1.0 CD2 A:HIS368 3.2 21.1 1.0 CG A:ASP369 3.3 22.4 1.0 CD B:GLU198 3.3 24.2 1.0 O B:SER197 3.9 23.3 1.0 O A:HOH900 4.0 19.7 1.0 CB A:ASP369 4.1 22.5 1.0 OE2 B:GLU198 4.1 23.5 1.0 O A:HOH710 4.1 20.3 1.0 OD1 A:ASP369 4.2 22.7 1.0 ND1 A:HIS368 4.2 21.2 1.0 O B:HOH477 4.3 25.3 1.0 O A:HOH760 4.3 20.3 1.0 OD2 B:ASP173 4.3 22.1 1.0 CG A:HIS368 4.3 22.4 1.0 CB B:GLU198 4.4 22.4 1.0 CG B:GLU198 4.4 20.7 1.0 OD1 B:ASP173 4.4 22.2 1.0 O A:HOH816 4.5 20.2 1.0 OG1 A:THR294 4.5 23.1 1.0 O B:HOH432 4.6 19.6 0.6 CA B:GLU198 4.7 22.0 1.0 O A:HOH821 4.7 21.4 1.0 CG B:ASP173 4.8 22.5 1.0 C B:SER197 5.0 24.4 1.0

Magnesium binding site 2 out of 2 in the Bovine Heart Cytochrome C Oxidase in the Carbon Monoxide-Bound Fully Reduced State at A 50 K


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 Carbon Monoxide-Bound Fully Reduced State at A 50 K within 5.0Å range: probe atom residue distance (Å) B Occ N:Mg605 b:26.6 occ:1.00 OD2 N:ASP369 2.1 25.3 1.0 O O:HOH446 2.1 23.1 1.0 OE1 O:GLU198 2.1 27.1 1.0 O O:HOH457 2.1 22.8 1.0 O O:HOH525 2.2 22.2 1.0 NE2 N:HIS368 2.2 25.0 1.0 CE1 N:HIS368 3.2 25.4 1.0 CD2 N:HIS368 3.2 25.2 1.0 CG N:ASP369 3.3 27.8 1.0 CD O:GLU198 3.3 26.0 1.0 O O:SER197 3.9 26.0 1.0 O N:HOH883 3.9 22.7 1.0 O N:HOH708 4.1 23.0 1.0 CB N:ASP369 4.1 26.7 1.0 OE2 O:GLU198 4.1 28.1 1.0 OD1 N:ASP369 4.2 25.2 1.0 O O:HOH435 4.2 25.6 1.0 ND1 N:HIS368 4.3 24.9 1.0 O N:HOH780 4.3 22.1 1.0 CG N:HIS368 4.3 24.5 1.0 OD2 O:ASP173 4.3 25.4 1.0 CG O:GLU198 4.3 23.2 1.0 CB O:GLU198 4.4 24.6 1.0 O N:HOH829 4.5 22.5 1.0 OD1 O:ASP173 4.5 25.7 1.0 OG1 N:THR294 4.6 26.2 1.0 O O:HOH422 4.6 22.4 0.6 CA O:GLU198 4.6 26.0 1.0 O N:HOH856 4.7 21.4 1.0 CG O:ASP173 4.8 24.5 1.0 C O:SER197 5.0 28.0 1.0

A.Shimada, K.Shinzawa-Itoh, K.Muramoto, T.Tsukihara, S.Yoshikawa. Structure of Co-Bound Fully Reduced State of Bovine Heart Cytochrome C Oxidase To Be Published.