Iron 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:

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 in the Fully Reduced State (pdb code 1ocr). 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 in the Fully Reduced State, PDB code: 1ocr:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Bovine Heart Cytochrome C Oxidase in the Fully Reduced 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 in the Fully Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe515 b:16.3 occ:1.00 FE A:HEA515 0.0 16.3 1.0 NE2 A:HIS61 1.8 7.0 1.0 NE2 A:HIS378 1.8 8.8 1.0 ND A:HEA515 1.9 18.8 1.0 NB A:HEA515 1.9 24.5 1.0 NA A:HEA515 2.0 29.8 1.0 NC A:HEA515 2.0 30.3 1.0 CE1 A:HIS378 2.7 19.9 1.0 CE1 A:HIS61 2.8 16.3 1.0 C1D A:HEA515 3.0 27.4 1.0 C1B A:HEA515 3.0 31.3 1.0 C4A A:HEA515 3.0 28.4 1.0 C4D A:HEA515 3.0 28.5 1.0 C4C A:HEA515 3.0 27.3 1.0 CD2 A:HIS61 3.0 20.1 1.0 C4B A:HEA515 3.1 28.8 1.0 C1A A:HEA515 3.1 18.9 1.0 C1C A:HEA515 3.1 22.7 1.0 CD2 A:HIS378 3.1 15.8 1.0 CHB A:HEA515 3.3 31.5 1.0 CHD A:HEA515 3.4 28.9 1.0 CHA A:HEA515 3.4 23.9 1.0 CHC A:HEA515 3.4 26.5 1.0 ND1 A:HIS378 4.0 14.9 1.0 ND1 A:HIS61 4.1 14.4 1.0 CG A:HIS61 4.2 12.2 1.0 CG A:HIS378 4.2 10.1 1.0 C2D A:HEA515 4.2 24.3 1.0 C3A A:HEA515 4.2 22.3 1.0 C2A A:HEA515 4.2 24.2 1.0 C3D A:HEA515 4.2 27.6 1.0 C3C A:HEA515 4.2 28.1 1.0 C2B A:HEA515 4.3 32.3 1.0 C2C A:HEA515 4.3 28.7 1.0 C3B A:HEA515 4.3 30.9 1.0 CE1 A:PHE377 5.0 26.0 1.0

Iron binding site 2 out of 4 in the Bovine Heart Cytochrome C Oxidase in the Fully Reduced 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 in the Fully Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe516 b:17.6 occ:1.00 FE A:HEA516 0.0 17.6 1.0 NE2 A:HIS376 1.9 7.0 1.0 ND A:HEA516 1.9 12.2 1.0 NB A:HEA516 1.9 13.2 1.0 NC A:HEA516 2.0 19.3 1.0 NA A:HEA516 2.1 21.3 1.0 CE1 A:HIS376 2.7 9.7 1.0 C1D A:HEA516 2.9 21.2 1.0 C4D A:HEA516 3.0 18.1 1.0 C4C A:HEA516 3.0 17.4 1.0 C1B A:HEA516 3.0 23.9 1.0 C4B A:HEA516 3.0 20.4 1.0 C1A A:HEA516 3.1 12.3 1.0 C1C A:HEA516 3.1 15.1 1.0 C4A A:HEA516 3.1 16.9 1.0 CD2 A:HIS376 3.1 11.9 1.0 CHD A:HEA516 3.3 20.6 1.0 CHA A:HEA516 3.4 11.3 1.0 CHB A:HEA516 3.4 21.7 1.0 CHC A:HEA516 3.5 14.9 1.0 ND1 A:HIS376 4.0 7.0 1.0 CG A:HIS376 4.2 7.0 1.0 C3D A:HEA516 4.2 17.1 1.0 C2B A:HEA516 4.2 15.5 1.0 C2D A:HEA516 4.2 14.1 1.0 C3B A:HEA516 4.3 22.5 1.0 C3C A:HEA516 4.3 21.3 1.0 C2C A:HEA516 4.3 23.1 1.0 C2A A:HEA516 4.4 17.1 1.0 C3A A:HEA516 4.4 17.4 1.0

Iron binding site 3 out of 4 in the Bovine Heart Cytochrome C Oxidase in the Fully Reduced 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 in the Fully Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ N:Fe515 b:32.9 occ:1.00 FE N:HEA515 0.0 32.9 1.0 NE2 N:HIS61 1.8 20.9 1.0 ND N:HEA515 1.9 33.4 1.0 NE2 N:HIS378 1.9 21.2 1.0 NC N:HEA515 1.9 33.1 1.0 NB N:HEA515 2.0 36.7 1.0 NA N:HEA515 2.0 33.6 1.0 CE1 N:HIS378 2.8 27.6 1.0 CE1 N:HIS61 2.8 22.2 1.0 C1D N:HEA515 2.9 35.6 1.0 C4C N:HEA515 3.0 35.4 1.0 CD2 N:HIS61 3.0 24.6 1.0 C4D N:HEA515 3.0 37.3 1.0 C1C N:HEA515 3.0 34.7 1.0 C4A N:HEA515 3.0 32.8 1.0 C1B N:HEA515 3.0 37.2 1.0 C1A N:HEA515 3.1 34.9 1.0 C4B N:HEA515 3.1 35.7 1.0 CD2 N:HIS378 3.2 22.8 1.0 CHD N:HEA515 3.3 34.1 1.0 CHB N:HEA515 3.4 33.4 1.0 CHC N:HEA515 3.4 35.2 1.0 CHA N:HEA515 3.4 38.4 1.0 ND1 N:HIS61 4.0 19.2 1.0 ND1 N:HIS378 4.1 23.9 1.0 CG N:HIS61 4.1 21.2 1.0 C2D N:HEA515 4.2 32.6 1.0 C3C N:HEA515 4.2 34.8 1.0 C3D N:HEA515 4.2 31.0 1.0 C2C N:HEA515 4.2 33.8 1.0 CG N:HIS378 4.3 22.4 1.0 C3A N:HEA515 4.3 34.1 1.0 C2A N:HEA515 4.3 34.2 1.0 C2B N:HEA515 4.3 37.4 1.0 C3B N:HEA515 4.3 35.7 1.0 CE1 N:PHE377 5.0 17.9 1.0

Iron binding site 4 out of 4 in the Bovine Heart Cytochrome C Oxidase in the Fully Reduced 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 in the Fully Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ N:Fe516 b:25.7 occ:1.00 FE N:HEA516 0.0 25.7 1.0 NE2 N:HIS376 1.9 20.2 1.0 ND N:HEA516 1.9 20.6 1.0 NB N:HEA516 2.0 17.2 1.0 NA N:HEA516 2.0 24.5 1.0 NC N:HEA516 2.0 21.4 1.0 CE1 N:HIS376 2.7 24.7 1.0 C4D N:HEA516 3.0 21.0 1.0 C1D N:HEA516 3.0 25.0 1.0 C1B N:HEA516 3.0 23.4 1.0 C1A N:HEA516 3.0 24.1 1.0 C4B N:HEA516 3.0 19.5 1.0 C4C N:HEA516 3.0 23.8 1.0 C4A N:HEA516 3.1 25.5 1.0 C1C N:HEA516 3.1 19.3 1.0 CD2 N:HIS376 3.1 25.6 1.0 CHD N:HEA516 3.3 25.7 1.0 CHA N:HEA516 3.3 20.8 1.0 CHB N:HEA516 3.4 27.8 1.0 CHC N:HEA516 3.4 16.5 1.0 ND1 N:HIS376 4.0 24.5 1.0 C3D N:HEA516 4.2 21.8 1.0 CG N:HIS376 4.2 21.2 1.0 C2D N:HEA516 4.2 21.8 1.0 C2B N:HEA516 4.3 20.3 1.0 C2A N:HEA516 4.3 26.5 1.0 C3B N:HEA516 4.3 23.2 1.0 C3A N:HEA516 4.3 23.8 1.0 C3C N:HEA516 4.3 21.2 1.0 C2C N:HEA516 4.3 21.5 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