Zinc in PDB 1v54: Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State

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

The structure of Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State, PDB code: 1v54 was solved by T.Tsukihara, K.Shimokata, Y.Katayama, H.Shimada, K.Muramoto, H.Aoyama, M.Mochizuki, K.Shinzawa-Itoh, E.Yamashita, M.Yao, Y.Ishimura, S.Yoshikawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	182.590, 205.140, 178.250, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 22.7

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

Magnesium	(Mg)	2 atoms
Iron	(Fe)	4 atoms
Copper	(Cu)	6 atoms
Sodium	(Na)	2 atoms

The binding sites of Zinc atom in the Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (pdb code 1v54). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State, PDB code: 1v54:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State within 5.0Å range: probe atom residue distance (Å) B Occ F:Zn99 b:25.6 occ:1.00 SG F:CYS82 2.2 25.4 1.0 SG F:CYS62 2.2 25.5 1.0 SG F:CYS60 2.3 26.4 1.0 SG F:CYS85 2.3 26.7 1.0 CB F:CYS82 3.2 28.0 1.0 CB F:CYS60 3.4 22.1 1.0 CB F:CYS62 3.4 23.3 1.0 CB F:CYS85 3.4 24.1 1.0 CA F:CYS62 3.5 27.9 1.0 N F:CYS85 3.7 27.5 1.0 N F:CYS62 3.9 28.1 1.0 CA F:CYS85 4.1 27.2 1.0 O F:CYS60 4.3 23.5 1.0 C F:CYS60 4.4 24.0 1.0 CB F:SER84 4.5 27.6 1.0 CA F:CYS60 4.5 22.0 1.0 OG F:SER84 4.7 30.4 1.0 O F:HOH123 4.7 43.2 1.0 CA F:CYS82 4.7 26.6 1.0 C F:SER84 4.7 27.0 1.0 C F:ILE61 4.8 27.7 1.0 C F:CYS85 4.8 28.9 1.0 CG2 F:THR87 4.8 33.3 1.0 C F:CYS62 4.9 31.3 1.0 N F:GLY86 4.9 30.3 1.0 CA F:SER84 5.0 26.5 1.0 CB F:ILE70 5.0 23.0 1.0 CG1 F:ILE70 5.0 21.7 1.0

Zinc binding site 2 out of 2 in the Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State within 5.0Å range: probe atom residue distance (Å) B Occ S:Zn99 b:25.1 occ:1.00 SG S:CYS82 2.2 24.2 1.0 SG S:CYS62 2.3 29.9 1.0 SG S:CYS60 2.3 23.8 1.0 SG S:CYS85 2.3 26.3 1.0 CB S:CYS82 3.0 25.4 1.0 CB S:CYS60 3.3 23.2 1.0 CB S:CYS62 3.4 28.0 1.0 CB S:CYS85 3.5 25.2 1.0 N S:CYS85 3.7 27.6 1.0 CA S:CYS62 3.7 27.1 1.0 N S:CYS62 4.0 28.4 1.0 CA S:CYS85 4.2 27.3 1.0 O S:CYS60 4.3 24.9 1.0 OG1 S:THR87 4.4 36.7 1.0 C S:CYS60 4.4 24.8 1.0 CA S:CYS60 4.4 23.9 1.0 CB S:SER84 4.5 27.9 1.0 CA S:CYS82 4.5 25.7 1.0 O S:HOH1319 4.7 55.2 1.0 C S:SER84 4.7 27.9 1.0 CB S:ILE70 4.9 21.7 1.0 C S:CYS85 4.9 28.6 1.0 CG1 S:ILE70 4.9 20.5 1.0 N S:GLY86 4.9 28.7 1.0 N S:SER84 4.9 28.0 1.0 C S:ILE61 4.9 28.7 1.0 CA S:SER84 4.9 27.1 1.0 CG2 S:THR87 5.0 35.3 1.0 C S:CYS82 5.0 25.0 1.0 OG S:SER84 5.0 32.8 1.0

T.Tsukihara, K.Shimokata, Y.Katayama, H.Shimada, K.Muramoto, H.Aoyama, M.Mochizuki, K.Shinzawa-Itoh, E.Yamashita, M.Yao, Y.Ishimura, S.Yoshikawa. The Low-Spin Heme of Cytochrome C Oxidase As the Driving Element of the Proton-Pumping Process. Proc.Natl.Acad.Sci.Usa V. 100 15304 2003.
ISSN: ISSN 0027-8424
PubMed: 14673090
DOI: 10.1073/PNAS.2635097100