Magnesium in PDB 1ocr: 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: 1ocr 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 / 2.35
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 (%)	20.3 / 24.7

The structure of Bovine Heart Cytochrome C Oxidase in the Fully Reduced 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 in the Fully Reduced State (pdb code 1ocr). 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: 1ocr:
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:22.3 occ:1.00 OD2 A:ASP369 2.1 17.2 1.0 OE1 B:GLU198 2.1 15.1 1.0 NE2 A:HIS368 2.2 17.9 1.0 CE1 A:HIS368 3.1 22.8 1.0 CD2 A:HIS368 3.3 26.9 1.0 CG A:ASP369 3.3 16.6 1.0 CD B:GLU198 3.3 22.9 1.0 O B:SER197 3.9 25.9 1.0 OD2 B:ASP173 4.0 30.9 1.0 OE2 B:GLU198 4.1 20.0 1.0 CB A:ASP369 4.2 10.2 1.0 OD1 A:ASP369 4.2 19.8 1.0 ND1 A:HIS368 4.2 20.1 1.0 CG A:HIS368 4.4 20.2 1.0 CG B:GLU198 4.4 19.7 1.0 OD1 B:ASP173 4.4 22.8 1.0 OG1 A:THR294 4.5 12.6 1.0 CB B:GLU198 4.6 16.0 1.0 CG B:ASP173 4.7 26.3 1.0 CA B:GLU198 4.9 19.8 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:Mg518 b:31.0 occ:1.00 OE1 O:GLU198 2.0 26.1 1.0 OD2 N:ASP369 2.0 32.4 1.0 NE2 N:HIS368 2.2 31.3 1.0 CE1 N:HIS368 3.1 32.3 1.0 CG N:ASP369 3.3 31.1 1.0 CD O:GLU198 3.3 29.9 1.0 CD2 N:HIS368 3.3 30.9 1.0 O O:SER197 3.8 43.3 1.0 OE2 O:GLU198 4.0 23.3 1.0 OD2 O:ASP173 4.0 33.6 1.0 OD1 N:ASP369 4.1 32.7 1.0 CB N:ASP369 4.1 25.8 1.0 ND1 N:HIS368 4.3 30.4 1.0 CG O:GLU198 4.3 27.5 1.0 CG N:HIS368 4.4 26.2 1.0 CB O:GLU198 4.5 30.1 1.0 OD1 O:ASP173 4.5 28.1 1.0 OG1 N:THR294 4.6 23.4 1.0 CG O:ASP173 4.7 31.0 1.0 CA O:GLU198 4.8 33.4 1.0 C O:SER197 4.9 39.1 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