Iron in PDB 7zs1: Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292C Mutant

The structure of Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292C Mutant, PDB code: 7zs1 was solved by M.Akram, T.Barends, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.57 / 1.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	61.21, 92.2, 55.53, 90, 90, 90
R / Rfree (%)	19.7 / 22.5

The structure of Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292C Mutant also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Iron atom in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292C Mutant (pdb code 7zs1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292C Mutant, PDB code: 7zs1:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292C Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292C Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe404 b:26.1 occ:1.00 FE A:HEC404 0.0 26.1 1.0 NB A:HEC404 2.0 27.1 1.0 NC A:HEC404 2.0 27.1 1.0 NA A:HEC404 2.0 24.2 1.0 ND A:HEC404 2.1 27.7 1.0 NE2 A:HIS196 2.2 28.1 1.0 SG A:CYS292 2.4 28.3 1.0 C1B A:HEC404 3.0 23.9 1.0 C1C A:HEC404 3.0 29.5 1.0 C4B A:HEC404 3.0 28.8 1.0 C4A A:HEC404 3.0 26.4 1.0 C1D A:HEC404 3.1 25.8 1.0 C1A A:HEC404 3.1 25.9 1.0 C4D A:HEC404 3.1 25.2 1.0 CD2 A:HIS196 3.1 28.8 1.0 C4C A:HEC404 3.1 28.1 1.0 CE1 A:HIS196 3.2 28.9 1.0 CHC A:HEC404 3.4 29.6 1.0 CHB A:HEC404 3.4 25.4 1.0 CHA A:HEC404 3.4 24.5 1.0 CHD A:HEC404 3.5 26.3 1.0 CB A:CYS292 3.5 26.6 1.0 C2B A:HEC404 4.3 25.9 1.0 C2C A:HEC404 4.3 27.2 1.0 C3B A:HEC404 4.3 28.5 1.0 CG A:HIS196 4.3 26.6 1.0 C3A A:HEC404 4.3 24.0 1.0 C2A A:HEC404 4.3 21.6 1.0 ND1 A:HIS196 4.3 28.2 1.0 C2D A:HEC404 4.3 28.0 1.0 CA A:CYS292 4.3 27.8 1.0 C3D A:HEC404 4.3 26.0 1.0 C3C A:HEC404 4.3 25.8 1.0 O A:HOH551 4.7 25.6 1.0

Iron binding site 2 out of 2 in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292C Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292C Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe405 b:25.7 occ:1.00 FE A:HEC405 0.0 25.7 1.0 ND A:HEC405 2.0 24.4 1.0 NC A:HEC405 2.0 25.1 1.0 NB A:HEC405 2.1 25.4 1.0 NA A:HEC405 2.1 24.9 1.0 NE2 A:HIS60 2.2 25.5 1.0 SD A:MET116 2.4 24.6 1.0 C1D A:HEC405 3.0 23.7 1.0 C4C A:HEC405 3.0 25.7 1.0 C1B A:HEC405 3.1 25.6 1.0 C4D A:HEC405 3.1 24.9 1.0 C4A A:HEC405 3.1 25.5 1.0 C4B A:HEC405 3.1 25.2 1.0 C1C A:HEC405 3.1 24.1 1.0 C1A A:HEC405 3.1 25.7 1.0 CD2 A:HIS60 3.1 25.5 1.0 CE1 A:HIS60 3.1 27.3 1.0 CHD A:HEC405 3.3 24.2 1.0 CE A:MET116 3.4 24.9 1.0 CHB A:HEC405 3.4 23.3 1.0 CG A:MET116 3.4 27.1 1.0 CHA A:HEC405 3.5 25.8 1.0 CHC A:HEC405 3.5 22.5 1.0 CB A:MET116 4.1 24.6 1.0 C2D A:HEC405 4.2 23.4 1.0 ND1 A:HIS60 4.2 28.7 1.0 CG A:HIS60 4.3 23.6 1.0 C3D A:HEC405 4.3 25.8 1.0 C2B A:HEC405 4.3 25.6 1.0 C3A A:HEC405 4.3 24.3 1.0 C3B A:HEC405 4.3 25.9 1.0 C3C A:HEC405 4.3 24.0 1.0 C2C A:HEC405 4.3 25.4 1.0 C2A A:HEC405 4.3 24.1 1.0 NE2 A:GLN74 4.7 29.2 1.0

M.Akram, T.Barends. Redox Potential Tuning By Calcium Ions in A Novel C-Type Cytochrome From An Anammox Organism To Be Published.