Iron in PDB 7vvr: Bovine Cytochrome C Oxidese in Cn-Bound Mixed Valence State at 50 K

All present enzymatic activity of Bovine Cytochrome C Oxidese in Cn-Bound Mixed Valence State at 50 K:
7.1.1.9;

The structure of Bovine Cytochrome C Oxidese in Cn-Bound Mixed Valence State at 50 K, PDB code: 7vvr was solved by A.Shimada, T.Tsukihara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.95 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	182.307, 204.706, 177.379, 90, 90, 90
R / Rfree (%)	15.2 / 17.6

The structure of Bovine Cytochrome C Oxidese in Cn-Bound Mixed Valence State at 50 K also contains other interesting chemical elements:

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

The binding sites of Iron atom in the Bovine Cytochrome C Oxidese in Cn-Bound Mixed Valence State at 50 K (pdb code 7vvr). 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 Cytochrome C Oxidese in Cn-Bound Mixed Valence State at 50 K, PDB code: 7vvr:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Bovine Cytochrome C Oxidese in Cn-Bound Mixed Valence State at 50 K


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Bovine Cytochrome C Oxidese in Cn-Bound Mixed Valence State at 50 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:21.6 occ:1.00 FE A:HEA601 0.0 21.6 1.0 NC A:HEA601 2.0 19.7 1.0 NE2 A:HIS61 2.0 21.1 1.0 NE2 A:HIS378 2.0 20.9 1.0 NA A:HEA601 2.0 21.3 1.0 NB A:HEA601 2.0 22.2 1.0 ND A:HEA601 2.0 21.6 1.0 CE1 A:HIS378 2.9 22.4 1.0 C4A A:HEA601 3.0 21.1 1.0 CE1 A:HIS61 3.0 24.5 1.0 C4C A:HEA601 3.0 19.9 1.0 CD2 A:HIS61 3.0 21.0 1.0 C1C A:HEA601 3.0 23.5 1.0 C1D A:HEA601 3.0 20.2 1.0 C1B A:HEA601 3.0 20.6 1.0 C4B A:HEA601 3.1 20.4 1.0 C1A A:HEA601 3.1 23.4 1.0 C4D A:HEA601 3.1 20.7 1.0 CD2 A:HIS378 3.1 23.3 1.0 CHC A:HEA601 3.4 19.8 1.0 CHB A:HEA601 3.4 20.7 1.0 CHD A:HEA601 3.5 21.1 1.0 CHA A:HEA601 3.5 22.1 1.0 ND1 A:HIS378 4.1 21.5 1.0 ND1 A:HIS61 4.1 21.5 1.0 CG A:HIS61 4.2 21.6 1.0 CG A:HIS378 4.2 21.2 1.0 C2C A:HEA601 4.2 19.4 1.0 C3A A:HEA601 4.2 20.9 1.0 C2A A:HEA601 4.2 21.1 1.0 C3C A:HEA601 4.3 18.8 1.0 C2D A:HEA601 4.3 19.9 1.0 C3B A:HEA601 4.3 19.9 1.0 C3D A:HEA601 4.3 19.2 1.0 C2B A:HEA601 4.3 21.9 1.0 OG A:SER382 4.7 27.5 0.4 CE1 A:PHE377 4.9 22.4 1.0

Iron binding site 2 out of 4 in the Bovine Cytochrome C Oxidese in Cn-Bound Mixed Valence State at 50 K


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Bovine Cytochrome C Oxidese in Cn-Bound Mixed Valence State at 50 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:23.1 occ:1.00 FE A:HEA602 0.0 23.1 1.0 C A:CYN606 1.9 21.7 1.0 NB A:HEA602 1.9 21.7 1.0 NA A:HEA602 2.0 23.0 1.0 NC A:HEA602 2.0 21.2 1.0 ND A:HEA602 2.0 23.6 1.0 NE2 A:HIS376 2.1 23.0 1.0 C4A A:HEA602 3.0 20.7 1.0 C4B A:HEA602 3.0 24.6 1.0 C4C A:HEA602 3.0 20.5 1.0 C4D A:HEA602 3.0 22.0 1.0 N A:CYN606 3.0 22.0 1.0 C1A A:HEA602 3.0 22.3 1.0 CD2 A:HIS376 3.0 21.5 1.0 CE1 A:HIS376 3.1 27.2 1.0 C1D A:HEA602 3.1 22.0 1.0 C1B A:HEA602 3.1 24.7 1.0 C1C A:HEA602 3.1 24.8 1.0 CHC A:HEA602 3.5 25.0 1.0 CHA A:HEA602 3.5 22.8 1.0 CHB A:HEA602 3.6 23.1 1.0 CHD A:HEA602 3.6 23.5 1.0 C2A A:HEA602 4.2 22.1 1.0 ND1 A:HIS376 4.2 22.9 1.0 C3B A:HEA602 4.2 24.1 1.0 C3A A:HEA602 4.2 22.0 1.0 CG A:HIS376 4.2 20.8 1.0 C3D A:HEA602 4.2 24.1 1.0 C2B A:HEA602 4.3 27.2 1.0 C2D A:HEA602 4.3 21.9 1.0 C2C A:HEA602 4.3 22.9 1.0 C3C A:HEA602 4.3 20.2 1.0 CG1 A:VAL380 4.7 20.0 0.4 CU A:CU603 5.0 21.7 1.0

Iron binding site 3 out of 4 in the Bovine Cytochrome C Oxidese in Cn-Bound Mixed Valence State at 50 K


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Bovine Cytochrome C Oxidese in Cn-Bound Mixed Valence State at 50 K within 5.0Å range: probe atom residue distance (Å) B Occ N:Fe601 b:24.9 occ:1.00 FE N:HEA601 0.0 24.9 1.0 NE2 N:HIS61 2.0 23.9 1.0 NE2 N:HIS378 2.0 25.2 1.0 NB N:HEA601 2.0 25.0 1.0 ND N:HEA601 2.0 25.0 1.0 NA N:HEA601 2.0 24.4 1.0 NC N:HEA601 2.0 25.3 1.0 CE1 N:HIS378 2.9 25.5 1.0 CD2 N:HIS61 3.0 25.2 1.0 CE1 N:HIS61 3.0 29.7 1.0 C4A N:HEA601 3.0 27.2 1.0 C1D N:HEA601 3.0 24.6 1.0 C4B N:HEA601 3.0 24.1 1.0 C1B N:HEA601 3.0 25.6 1.0 C1A N:HEA601 3.0 24.7 1.0 C4D N:HEA601 3.1 24.7 1.0 C4C N:HEA601 3.1 23.2 1.0 CD2 N:HIS378 3.1 26.3 1.0 C1C N:HEA601 3.1 26.5 1.0 CHB N:HEA601 3.4 27.5 1.0 CHD N:HEA601 3.4 24.7 1.0 CHC N:HEA601 3.5 24.6 1.0 CHA N:HEA601 3.5 28.1 1.0 ND1 N:HIS378 4.1 28.2 1.0 ND1 N:HIS61 4.1 25.2 1.0 CG N:HIS61 4.1 24.3 1.0 CG N:HIS378 4.2 26.1 1.0 C3A N:HEA601 4.2 24.6 1.0 C2A N:HEA601 4.2 23.2 1.0 C2C N:HEA601 4.3 21.3 1.0 C2D N:HEA601 4.3 22.8 1.0 C2B N:HEA601 4.3 24.2 1.0 C3B N:HEA601 4.3 23.1 1.0 C3D N:HEA601 4.3 22.8 1.0 C3C N:HEA601 4.3 25.0 1.0 OG N:SER382 4.6 35.1 0.4 CE1 N:PHE377 4.9 25.5 1.0

Iron binding site 4 out of 4 in the Bovine Cytochrome C Oxidese in Cn-Bound Mixed Valence State at 50 K


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Bovine Cytochrome C Oxidese in Cn-Bound Mixed Valence State at 50 K within 5.0Å range: probe atom residue distance (Å) B Occ N:Fe602 b:24.9 occ:1.00 FE N:HEA602 0.0 24.9 1.0 C N:CYN606 1.9 25.5 1.0 NA N:HEA602 2.0 25.8 1.0 NB N:HEA602 2.0 25.4 1.0 NC N:HEA602 2.0 22.9 1.0 ND N:HEA602 2.0 22.2 1.0 NE2 N:HIS376 2.1 24.3 1.0 C4C N:HEA602 3.0 23.1 1.0 C4A N:HEA602 3.0 22.1 1.0 C4D N:HEA602 3.0 24.5 1.0 C4B N:HEA602 3.0 24.1 1.0 N N:CYN606 3.0 26.4 1.0 C1A N:HEA602 3.1 25.7 1.0 C1D N:HEA602 3.1 22.9 1.0 CD2 N:HIS376 3.1 23.0 1.0 CE1 N:HIS376 3.1 27.8 1.0 C1B N:HEA602 3.1 24.4 1.0 C1C N:HEA602 3.1 23.7 1.0 CHA N:HEA602 3.5 25.1 1.0 CHC N:HEA602 3.5 23.9 1.0 CHB N:HEA602 3.5 24.8 1.0 CHD N:HEA602 3.5 24.8 1.0 ND1 N:HIS376 4.2 26.5 1.0 C3A N:HEA602 4.2 25.2 1.0 C3D N:HEA602 4.2 24.1 1.0 C2A N:HEA602 4.2 23.7 1.0 CG N:HIS376 4.2 23.0 1.0 C2D N:HEA602 4.2 23.7 1.0 C3B N:HEA602 4.2 25.6 1.0 C3C N:HEA602 4.3 25.1 1.0 C2C N:HEA602 4.3 23.8 1.0 C2B N:HEA602 4.3 25.6 1.0 CG1 N:VAL380 4.7 23.2 0.4 CU N:CU603 5.0 23.5 1.0

A.Shimada, T.Tsukihara. Bovine Cytochrome C Oxidese in Cn-Bound Mixed Valence State at 50 K To Be Published.