Iron in PDB 7zs0: Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis

The structure of Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, PDB code: 7zs0 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)	47.22 / 1.75
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	61.92, 92.29, 54.96, 90, 90, 90
R / Rfree (%)	16.9 / 19.6

The structure of Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis 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 (pdb code 7zs0). 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, PDB code: 7zs0:
Jump to Iron binding site number: 1; 2;

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe404 b:23.0 occ:1.00 FE A:HEC404 0.0 23.0 1.0 NE2 A:HIS196 2.0 19.9 1.0 ND A:HEC404 2.0 18.7 1.0 NB A:HEC404 2.0 19.4 1.0 NC A:HEC404 2.0 19.8 1.0 NA A:HEC404 2.0 18.6 1.0 SD A:MET292 2.3 19.1 1.0 CD2 A:HIS196 3.0 19.5 1.0 CE1 A:HIS196 3.0 20.1 1.0 C1D A:HEC404 3.0 19.9 1.0 C1B A:HEC404 3.0 18.4 1.0 C4C A:HEC404 3.0 20.9 1.0 C4D A:HEC404 3.1 20.4 1.0 C4A A:HEC404 3.1 19.4 1.0 C4B A:HEC404 3.1 20.0 1.0 C1A A:HEC404 3.1 18.8 1.0 C1C A:HEC404 3.1 21.6 1.0 CE A:MET292 3.3 18.5 1.0 CHD A:HEC404 3.4 19.1 1.0 CHB A:HEC404 3.4 19.3 1.0 CHA A:HEC404 3.4 19.1 1.0 CG A:MET292 3.4 19.0 1.0 CHC A:HEC404 3.4 20.2 1.0 CB A:MET292 4.0 19.4 1.0 ND1 A:HIS196 4.1 21.6 1.0 CG A:HIS196 4.1 20.2 1.0 C2B A:HEC404 4.3 19.8 1.0 C2D A:HEC404 4.3 19.5 1.0 C3C A:HEC404 4.3 20.5 1.0 C3A A:HEC404 4.3 18.9 1.0 C3B A:HEC404 4.3 17.3 1.0 C3D A:HEC404 4.3 18.9 1.0 C2A A:HEC404 4.3 17.7 1.0 C2C A:HEC404 4.3 20.7 1.0 O A:HOH600 4.9 18.1 1.0

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe405 b:24.9 occ:1.00 FE A:HEC405 0.0 24.9 1.0 NB A:HEC405 2.0 20.3 1.0 ND A:HEC405 2.0 20.7 1.0 NC A:HEC405 2.0 20.1 1.0 NA A:HEC405 2.0 21.5 1.0 NE2 A:HIS60 2.0 20.4 1.0 SD A:MET116 2.4 20.1 1.0 C1B A:HEC405 3.0 20.7 1.0 CE1 A:HIS60 3.0 23.1 1.0 C1D A:HEC405 3.0 21.1 1.0 C4C A:HEC405 3.0 21.1 1.0 C4B A:HEC405 3.0 19.2 1.0 C4A A:HEC405 3.0 19.9 1.0 CD2 A:HIS60 3.0 21.2 1.0 C1C A:HEC405 3.1 20.2 1.0 C4D A:HEC405 3.1 20.8 1.0 C1A A:HEC405 3.1 21.8 1.0 CHD A:HEC405 3.4 20.3 1.0 CHB A:HEC405 3.4 21.5 1.0 CE A:MET116 3.4 21.7 1.0 CHC A:HEC405 3.4 19.5 1.0 CG A:MET116 3.5 19.4 1.0 CHA A:HEC405 3.5 21.3 1.0 CB A:MET116 4.1 20.4 1.0 ND1 A:HIS60 4.1 22.5 1.0 CG A:HIS60 4.2 19.9 1.0 C2B A:HEC405 4.2 20.8 1.0 C3B A:HEC405 4.2 20.2 1.0 C2D A:HEC405 4.3 21.4 1.0 C3C A:HEC405 4.3 21.6 1.0 C3A A:HEC405 4.3 21.8 1.0 C2C A:HEC405 4.3 21.2 1.0 C2A A:HEC405 4.3 21.3 1.0 C3D A:HEC405 4.3 20.2 1.0 NE2 A:GLN74 4.6 22.2 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.