Iron in PDB 36cv: Crystal Structure of Cyanate Bound Bovine Cytochrome C Oxidase

All present enzymatic activity of Crystal Structure of Cyanate Bound Bovine Cytochrome C Oxidase:
1.9.3.1;

The structure of Crystal Structure of Cyanate Bound Bovine Cytochrome C Oxidase, PDB code: 36cv was solved by I.Ishigami, D.L.Rousseau, S.-R.Yeh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	178.292, 182.82, 208.752, 90, 90, 90
R / Rfree (%)	19.4 / 22.8

The structure of Crystal Structure of Cyanate Bound Bovine Cytochrome C Oxidase also contains other interesting chemical elements:

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

The binding sites of Iron atom in the Crystal Structure of Cyanate Bound Bovine Cytochrome C Oxidase (pdb code 36cv). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Cyanate Bound Bovine Cytochrome C Oxidase, PDB code: 36cv:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Cyanate Bound Bovine Cytochrome C Oxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Cyanate Bound Bovine Cytochrome C Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe605 b:31.1 occ:1.00 FE A:HEA605 0.0 31.1 1.0 N A:0NM613 2.0 35.3 1.0 NB A:HEA605 2.0 29.5 1.0 ND A:HEA605 2.0 29.3 1.0 NA A:HEA605 2.1 30.0 1.0 NC A:HEA605 2.1 32.4 1.0 NE2 A:HIS376 2.1 34.2 1.0 C A:0NM613 2.9 36.5 1.0 C4B A:HEA605 3.0 29.6 1.0 C4D A:HEA605 3.0 31.8 1.0 C1B A:HEA605 3.0 30.8 1.0 C1A A:HEA605 3.0 26.0 1.0 C1C A:HEA605 3.1 29.5 1.0 C4A A:HEA605 3.1 28.4 1.0 CE1 A:HIS376 3.1 35.3 1.0 C1D A:HEA605 3.1 32.7 1.0 C4C A:HEA605 3.1 29.6 1.0 CD2 A:HIS376 3.1 34.1 1.0 CHC A:HEA605 3.3 26.2 1.0 CHA A:HEA605 3.4 27.3 1.0 CHB A:HEA605 3.4 31.2 1.0 CHD A:HEA605 3.5 29.5 1.0 O A:0NM613 4.1 37.9 1.0 ND1 A:HIS376 4.2 31.0 1.0 CG A:HIS376 4.3 31.4 1.0 C3A A:HEA605 4.3 29.3 1.0 C2A A:HEA605 4.3 30.0 1.0 C2B A:HEA605 4.3 30.4 1.0 C3D A:HEA605 4.3 29.1 1.0 C3B A:HEA605 4.4 32.5 1.0 C2C A:HEA605 4.4 32.2 1.0 C3C A:HEA605 4.4 31.4 1.0 C2D A:HEA605 4.4 28.8 1.0 CU A:CU601 4.9 31.7 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Cyanate Bound Bovine Cytochrome C Oxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Cyanate Bound Bovine Cytochrome C Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe606 b:29.3 occ:1.00 FE A:HEA606 0.0 29.3 1.0 ND A:HEA606 2.0 27.4 1.0 NB A:HEA606 2.0 32.8 1.0 NA A:HEA606 2.1 31.4 1.0 NE2 A:HIS378 2.1 26.7 1.0 NE2 A:HIS61 2.1 26.0 1.0 NC A:HEA606 2.1 30.9 1.0 C1D A:HEA606 3.0 31.8 1.0 CD2 A:HIS61 3.0 29.1 1.0 CE1 A:HIS378 3.0 30.2 1.0 C4D A:HEA606 3.0 30.4 1.0 C1B A:HEA606 3.0 31.0 1.0 C4A A:HEA606 3.1 29.6 1.0 C4C A:HEA606 3.1 28.6 1.0 C4B A:HEA606 3.1 31.4 1.0 C1A A:HEA606 3.1 30.1 1.0 CE1 A:HIS61 3.1 27.8 1.0 C1C A:HEA606 3.1 27.0 1.0 CD2 A:HIS378 3.1 28.5 1.0 CHC A:HEA606 3.4 27.2 1.0 CHD A:HEA606 3.4 29.7 1.0 CHB A:HEA606 3.4 29.4 1.0 CHA A:HEA606 3.4 27.1 1.0 ND1 A:HIS378 4.2 28.1 1.0 ND1 A:HIS61 4.2 28.9 1.0 CG A:HIS61 4.2 25.0 1.0 CG A:HIS378 4.2 29.4 1.0 C3D A:HEA606 4.3 28.1 1.0 C2D A:HEA606 4.3 28.6 1.0 C3A A:HEA606 4.3 28.8 1.0 C2B A:HEA606 4.3 28.8 1.0 C3C A:HEA606 4.4 27.4 1.0 C3B A:HEA606 4.4 28.9 1.0 C2A A:HEA606 4.4 31.4 1.0 C2C A:HEA606 4.4 27.8 1.0 CE1 A:PHE377 4.9 33.5 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Cyanate Bound Bovine Cytochrome C Oxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Cyanate Bound Bovine Cytochrome C Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ N:Fe605 b:40.5 occ:1.00 FE N:HEA605 0.0 40.5 1.0 N N:0NM615 2.0 54.7 1.0 NC N:HEA605 2.0 30.9 1.0 NA N:HEA605 2.0 35.0 1.0 NB N:HEA605 2.1 33.8 1.0 ND N:HEA605 2.1 33.6 1.0 NE2 N:HIS376 2.1 47.0 1.0 C N:0NM615 2.8 67.3 1.0 C4A N:HEA605 3.0 35.4 1.0 C1B N:HEA605 3.0 31.1 1.0 C4C N:HEA605 3.0 35.8 1.0 CE1 N:HIS376 3.0 44.2 1.0 C1C N:HEA605 3.1 38.4 1.0 C1A N:HEA605 3.1 36.3 1.0 C4D N:HEA605 3.1 34.7 1.0 C4B N:HEA605 3.1 30.9 1.0 C1D N:HEA605 3.1 32.9 1.0 CD2 N:HIS376 3.2 42.4 1.0 CHB N:HEA605 3.3 34.5 1.0 CHD N:HEA605 3.5 37.1 1.0 CHC N:HEA605 3.5 34.4 1.0 CHA N:HEA605 3.5 32.1 1.0 O N:0NM615 4.1 61.1 1.0 ND1 N:HIS376 4.2 42.5 1.0 CG N:HIS376 4.3 41.9 1.0 C3C N:HEA605 4.3 32.3 1.0 C3A N:HEA605 4.3 38.3 1.0 C2B N:HEA605 4.3 33.8 1.0 C2C N:HEA605 4.4 34.5 1.0 C2A N:HEA605 4.4 41.4 1.0 C3B N:HEA605 4.4 35.0 1.0 C3D N:HEA605 4.4 34.2 1.0 C2D N:HEA605 4.5 31.6 1.0 CU N:CU601 5.0 40.5 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Cyanate Bound Bovine Cytochrome C Oxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Cyanate Bound Bovine Cytochrome C Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ N:Fe606 b:41.5 occ:1.00 FE N:HEA606 0.0 41.5 1.0 NA N:HEA606 2.0 34.7 1.0 NC N:HEA606 2.0 34.8 1.0 NE2 N:HIS61 2.1 46.0 1.0 NE2 N:HIS378 2.1 38.5 1.0 NB N:HEA606 2.1 42.5 1.0 ND N:HEA606 2.1 42.6 1.0 CD2 N:HIS61 2.9 42.1 1.0 C4A N:HEA606 3.0 38.8 1.0 C4C N:HEA606 3.0 38.7 1.0 C1A N:HEA606 3.0 42.2 1.0 C1B N:HEA606 3.0 38.8 1.0 CD2 N:HIS378 3.1 34.1 1.0 C1C N:HEA606 3.1 44.6 1.0 C1D N:HEA606 3.1 35.3 1.0 C4D N:HEA606 3.1 38.4 1.0 C4B N:HEA606 3.2 36.6 1.0 CE1 N:HIS378 3.2 37.7 1.0 CE1 N:HIS61 3.3 47.0 1.0 CHB N:HEA606 3.3 38.4 1.0 CHD N:HEA606 3.4 38.3 1.0 CHA N:HEA606 3.4 42.5 1.0 CHC N:HEA606 3.5 41.1 1.0 CG N:HIS61 4.1 49.0 1.0 CG N:HIS378 4.2 36.4 1.0 C3A N:HEA606 4.2 37.0 1.0 ND1 N:HIS378 4.3 37.1 1.0 ND1 N:HIS61 4.3 43.2 1.0 C2A N:HEA606 4.3 34.3 1.0 C3C N:HEA606 4.3 33.3 1.0 C2C N:HEA606 4.4 38.1 1.0 C2B N:HEA606 4.4 44.4 1.0 C3D N:HEA606 4.4 36.8 1.0 C2D N:HEA606 4.4 37.7 1.0 C3B N:HEA606 4.5 39.5 1.0

I.Ishigami, S.R.Yeh, D.L.Rousseau. A Cyanate-Bridged Binuclear Center in Bovine Cytochrome C Oxidase J Porphyr Phthalocyanines 2026.
ISSN: ESSN 1099-1409
DOI: 10.1142/S1088424626500550