Iron in PDB 2occ: 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: 2occ 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 / 2.30
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 (%)	20.9 / 24.4

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

Magnesium	(Mg)	2 atoms
Zinc	(Zn)	2 atoms
Copper	(Cu)	6 atoms
Sodium	(Na)	2 atoms

The binding sites of Iron atom in the Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State (pdb code 2occ). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State, PDB code: 2occ:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe 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 A:Fe515 b:18.9 occ:1.00 FE A:HEA515 0.0 18.9 1.0 NE2 A:HIS61 1.8 7.3 1.0 NE2 A:HIS378 1.9 13.7 1.0 ND A:HEA515 1.9 19.4 1.0 NB A:HEA515 2.0 24.0 1.0 NA A:HEA515 2.0 28.9 1.0 NC A:HEA515 2.1 29.1 1.0 CE1 A:HIS378 2.6 20.1 1.0 CE1 A:HIS61 2.7 16.9 1.0 C1B A:HEA515 3.0 29.9 1.0 C4D A:HEA515 3.0 27.1 1.0 C1D A:HEA515 3.0 26.6 1.0 C4A A:HEA515 3.0 26.6 1.0 C1A A:HEA515 3.1 20.5 1.0 CD2 A:HIS61 3.1 16.3 1.0 C4B A:HEA515 3.1 26.6 1.0 C4C A:HEA515 3.1 26.1 1.0 C1C A:HEA515 3.2 21.7 1.0 CD2 A:HIS378 3.2 19.6 1.0 CHB A:HEA515 3.4 25.2 1.0 CHA A:HEA515 3.4 21.5 1.0 CHD A:HEA515 3.5 25.4 1.0 CHC A:HEA515 3.5 25.3 1.0 ND1 A:HIS378 3.9 19.8 1.0 ND1 A:HIS61 4.0 14.3 1.0 CG A:HIS378 4.2 14.9 1.0 CG A:HIS61 4.2 10.8 1.0 C3D A:HEA515 4.2 25.8 1.0 C2A A:HEA515 4.2 26.8 1.0 C2B A:HEA515 4.2 25.9 1.0 C2D A:HEA515 4.3 23.4 1.0 C3A A:HEA515 4.3 23.6 1.0 C3B A:HEA515 4.3 26.1 1.0 C3C A:HEA515 4.4 27.1 1.0 C2C A:HEA515 4.4 28.0 1.0 CE1 A:PHE377 4.9 24.7 1.0

Iron binding site 2 out of 4 in the Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe 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 A:Fe516 b:20.1 occ:1.00 FE A:HEA516 0.0 20.1 1.0 ND A:HEA516 1.9 16.9 1.0 NB A:HEA516 1.9 11.5 1.0 NE2 A:HIS376 1.9 11.0 1.0 NC A:HEA516 2.0 25.2 1.0 NA A:HEA516 2.0 24.2 1.0 O1 A:PER520 2.2 10.3 1.0 CE1 A:HIS376 2.8 15.3 1.0 C4D A:HEA516 2.9 23.4 1.0 C1D A:HEA516 3.0 25.0 1.0 C4B A:HEA516 3.0 23.0 1.0 C1B A:HEA516 3.0 24.8 1.0 C1A A:HEA516 3.0 13.3 1.0 C4C A:HEA516 3.1 21.6 1.0 C1C A:HEA516 3.1 16.4 1.0 C4A A:HEA516 3.1 17.9 1.0 CD2 A:HIS376 3.1 12.1 1.0 CHA A:HEA516 3.3 16.0 1.0 CHD A:HEA516 3.4 24.2 1.0 CHC A:HEA516 3.4 19.0 1.0 CHB A:HEA516 3.5 21.0 1.0 O2 A:PER520 3.6 15.3 1.0 ND1 A:HIS376 4.1 10.9 1.0 C3D A:HEA516 4.2 22.3 1.0 CG A:HIS376 4.2 7.3 1.0 C2B A:HEA516 4.2 16.9 1.0 C2D A:HEA516 4.3 20.0 1.0 C3B A:HEA516 4.3 21.1 1.0 C2A A:HEA516 4.3 21.2 1.0 C3A A:HEA516 4.3 17.3 1.0 C2C A:HEA516 4.3 26.0 1.0 C3C A:HEA516 4.3 23.4 1.0 CU A:CU517 4.9 16.3 1.0

Iron binding site 3 out of 4 in the Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State within 5.0Å range: probe atom residue distance (Å) B Occ N:Fe515 b:34.8 occ:1.00 FE N:HEA515 0.0 34.8 1.0 NE2 N:HIS61 1.8 27.5 1.0 ND N:HEA515 1.9 31.4 1.0 NE2 N:HIS378 2.0 26.8 1.0 NC N:HEA515 2.0 30.9 1.0 NB N:HEA515 2.0 35.3 1.0 NA N:HEA515 2.0 32.7 1.0 CE1 N:HIS378 2.7 26.9 1.0 CE1 N:HIS61 2.8 27.1 1.0 C1D N:HEA515 3.0 33.0 1.0 C4D N:HEA515 3.0 34.3 1.0 CD2 N:HIS61 3.0 29.9 1.0 C4C N:HEA515 3.0 31.1 1.0 C1C N:HEA515 3.1 32.9 1.0 C1B N:HEA515 3.1 35.5 1.0 C1A N:HEA515 3.1 34.0 1.0 C4A N:HEA515 3.1 33.1 1.0 C4B N:HEA515 3.1 32.9 1.0 CD2 N:HIS378 3.2 27.3 1.0 CHD N:HEA515 3.4 31.0 1.0 CHA N:HEA515 3.4 34.5 1.0 CHC N:HEA515 3.5 32.0 1.0 CHB N:HEA515 3.5 33.9 1.0 ND1 N:HIS378 4.0 26.3 1.0 ND1 N:HIS61 4.0 26.4 1.0 CG N:HIS61 4.2 24.9 1.0 C2D N:HEA515 4.2 31.0 1.0 C3D N:HEA515 4.2 29.8 1.0 CG N:HIS378 4.2 24.1 1.0 C2B N:HEA515 4.3 33.8 1.0 C3C N:HEA515 4.3 33.0 1.0 C2A N:HEA515 4.3 34.0 1.0 C2C N:HEA515 4.3 32.4 1.0 C3B N:HEA515 4.3 31.4 1.0 C3A N:HEA515 4.3 33.2 1.0 CE1 N:PHE377 4.9 29.5 1.0

Iron binding site 4 out of 4 in the Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Bovine Heart Cytochrome C Oxidase at the Fully Oxidized State within 5.0Å range: probe atom residue distance (Å) B Occ N:Fe516 b:26.8 occ:1.00 FE N:HEA516 0.0 26.8 1.0 ND N:HEA516 1.9 24.1 1.0 NB N:HEA516 1.9 19.4 1.0 NE2 N:HIS376 1.9 28.2 1.0 NA N:HEA516 2.0 23.9 1.0 NC N:HEA516 2.0 25.4 1.0 O1 N:PER520 2.3 22.6 1.0 CE1 N:HIS376 2.8 31.5 1.0 C4D N:HEA516 2.9 25.2 1.0 C1B N:HEA516 3.0 27.0 1.0 C1A N:HEA516 3.0 22.5 1.0 C4B N:HEA516 3.0 23.1 1.0 C1D N:HEA516 3.0 27.7 1.0 C4A N:HEA516 3.1 25.2 1.0 C1C N:HEA516 3.1 22.7 1.0 C4C N:HEA516 3.1 26.6 1.0 CD2 N:HIS376 3.1 32.0 1.0 CHA N:HEA516 3.3 24.2 1.0 CHC N:HEA516 3.4 18.7 1.0 CHD N:HEA516 3.4 28.7 1.0 CHB N:HEA516 3.4 26.1 1.0 O2 N:PER520 3.5 21.1 1.0 ND1 N:HIS376 4.1 28.3 1.0 C3D N:HEA516 4.2 24.9 1.0 CG N:HIS376 4.2 26.7 1.0 C2A N:HEA516 4.2 25.6 1.0 C2B N:HEA516 4.2 22.8 1.0 C2D N:HEA516 4.3 25.3 1.0 C3A N:HEA516 4.3 21.6 1.0 C3B N:HEA516 4.3 24.7 1.0 C2C N:HEA516 4.3 26.3 1.0 C3C N:HEA516 4.3 26.5 1.0 CU N:CU517 4.9 29.1 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