Magnesium in PDB 8ijn: Bovine Heart Cytochrome C Oxidase in the Nitric Oxide-Bound Fully Reduced State at 100 K

All present enzymatic activity of Bovine Heart Cytochrome C Oxidase in the Nitric Oxide-Bound Fully Reduced State at 100 K:
7.1.1.9;

The structure of Bovine Heart Cytochrome C Oxidase in the Nitric Oxide-Bound Fully Reduced State at 100 K, PDB code: 8ijn was solved by T.Tsukihara, A.Shimada, K.Muramoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.37 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	182.289, 208.358, 177.916, 90, 90, 90
R / Rfree (%)	16.9 / 19.2

The structure of Bovine Heart Cytochrome C Oxidase in the Nitric Oxide-Bound Fully Reduced State at 100 K also contains other interesting chemical elements:

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

The binding sites of Magnesium atom in the Bovine Heart Cytochrome C Oxidase in the Nitric Oxide-Bound Fully Reduced State at 100 K (pdb code 8ijn). 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 Nitric Oxide-Bound Fully Reduced State at 100 K, PDB code: 8ijn:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Bovine Heart Cytochrome C Oxidase in the Nitric Oxide-Bound Fully Reduced State at 100 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 Nitric Oxide-Bound Fully Reduced State at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg605 b:19.8 occ:1.00 OD1 A:ASP369 2.0 23.9 1.0 OE1 B:GLU198 2.1 25.2 1.0 O B:HOH451 2.1 21.4 1.0 O B:HOH418 2.1 23.1 1.0 O B:HOH497 2.2 22.9 1.0 NE2 A:HIS368 2.2 20.9 1.0 CD2 A:HIS368 3.2 21.3 1.0 CE1 A:HIS368 3.2 21.8 1.0 CG A:ASP369 3.2 26.6 1.0 CD B:GLU198 3.3 24.1 1.0 O B:SER197 3.9 23.9 1.0 O A:HOH869 3.9 23.4 1.0 CB A:ASP369 4.1 19.5 1.0 OE2 B:GLU198 4.1 27.4 1.0 O A:HOH705 4.2 21.8 1.0 OD2 A:ASP369 4.2 23.6 1.0 O A:HOH804 4.3 19.9 1.0 ND1 A:HIS368 4.3 19.4 1.0 CG A:HIS368 4.3 18.4 1.0 OD2 B:ASP173 4.3 24.6 1.0 O B:HOH438 4.3 22.0 0.8 CB B:GLU198 4.4 21.3 1.0 CG B:GLU198 4.4 19.7 1.0 OD1 B:ASP173 4.4 25.4 1.0 O B:HOH411 4.5 24.8 0.7 OG1 A:THR294 4.5 23.6 1.0 O A:HOH874 4.6 21.2 1.0 O A:HOH812 4.6 20.5 1.0 CA B:GLU198 4.6 23.3 1.0 CG B:ASP173 4.8 28.6 1.0 C B:SER197 5.0 24.5 1.0

Magnesium binding site 2 out of 2 in the Bovine Heart Cytochrome C Oxidase in the Nitric Oxide-Bound Fully Reduced State at 100 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 Nitric Oxide-Bound Fully Reduced State at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ N:Mg605 b:24.5 occ:1.00 O O:HOH436 2.0 27.9 1.0 OD1 N:ASP369 2.1 29.2 1.0 O O:HOH485 2.1 25.2 1.0 O O:HOH461 2.1 28.5 1.0 OE1 O:GLU198 2.1 31.8 1.0 NE2 N:HIS368 2.2 25.8 1.0 CE1 N:HIS368 3.1 24.1 1.0 CD2 N:HIS368 3.2 26.8 1.0 CG N:ASP369 3.3 29.1 1.0 CD O:GLU198 3.4 33.7 1.0 O O:SER197 3.9 28.6 1.0 O N:HOH883 3.9 27.4 1.0 CB N:ASP369 4.1 25.2 1.0 OE2 O:GLU198 4.1 34.1 1.0 ND1 N:HIS368 4.2 23.1 1.0 OD2 N:ASP369 4.2 29.2 1.0 O N:HOH770 4.2 27.1 1.0 O N:HOH720 4.3 25.2 1.0 OD2 O:ASP173 4.3 30.9 1.0 CG N:HIS368 4.3 32.8 1.0 O O:HOH463 4.3 26.4 0.7 CB O:GLU198 4.4 28.6 1.0 CG O:GLU198 4.4 27.1 1.0 OD1 O:ASP173 4.4 27.6 1.0 O O:HOH430 4.5 26.1 0.7 O N:HOH868 4.5 25.4 1.0 OG1 N:THR294 4.5 27.5 1.0 O N:HOH859 4.6 25.9 1.0 CA O:GLU198 4.7 28.5 1.0 CG O:ASP173 4.8 31.9 1.0

K.Muramoto, K.Ohta, K.Shinzawa-Itoh, K.Kanda, M.Taniguchi, H.Nabekura, E.Yamashita, T.Tsukihara, S.Yoshikawa. Bovine Cytochrome C Oxidase Structures Enable O2 Reduction with Minimization of Reactive Oxygens and Provide A Proton-Pumping Gate. Proc.Natl.Acad.Sci.Usa V. 107 7740 2010.
ISSN: ESSN 1091-6490
PubMed: 20385840
DOI: 10.1073/PNAS.0910410107