Iron in PDB 7zs2: Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292H Mutant

The structure of Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292H Mutant, PDB code: 7zs2 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)	35.51 / 1.12
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.65, 92.71, 55.23, 90, 90, 90
R / Rfree (%)	12.3 / 13.8

The structure of Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292H Mutant also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Iron atom in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292H Mutant (pdb code 7zs2). 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, M292H Mutant, PDB code: 7zs2:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292H 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, M292H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe405 b:12.2 occ:1.00 FE A:HEC405 0.0 12.2 1.0 NC A:HEC405 2.0 11.9 1.0 ND A:HEC405 2.0 12.2 1.0 NB A:HEC405 2.0 11.8 1.0 NE2 A:HIS196 2.0 11.8 1.0 NA A:HEC405 2.0 11.8 1.0 ND1 A:HIS292 2.1 11.8 1.0 CE1 A:HIS292 3.0 11.9 1.0 CE1 A:HIS196 3.0 12.2 1.0 C1B A:HEC405 3.0 11.2 1.0 C4A A:HEC405 3.0 11.4 1.0 C1C A:HEC405 3.0 12.0 1.0 C1D A:HEC405 3.0 12.1 1.0 C4D A:HEC405 3.0 11.7 1.0 C4C A:HEC405 3.0 12.1 1.0 C1A A:HEC405 3.0 11.8 1.0 C4B A:HEC405 3.0 11.6 1.0 CD2 A:HIS196 3.1 12.0 1.0 HE1 A:HIS292 3.1 14.3 1.0 HE1 A:HIS196 3.1 14.7 1.0 CG A:HIS292 3.2 12.3 1.0 HB2 A:HIS292 3.2 14.6 1.0 HD2 A:HIS196 3.3 14.4 1.0 CHB A:HEC405 3.4 11.5 1.0 CHD A:HEC405 3.4 11.9 1.0 CHC A:HEC405 3.4 11.7 1.0 CHA A:HEC405 3.4 11.6 1.0 CB A:HIS292 3.8 12.2 1.0 ND1 A:HIS196 4.1 12.8 1.0 NE2 A:HIS292 4.1 12.4 1.0 CG A:HIS196 4.2 12.9 1.0 C2D A:HEC405 4.2 12.4 1.0 C3D A:HEC405 4.2 12.2 1.0 C2B A:HEC405 4.2 11.7 1.0 C2C A:HEC405 4.2 12.6 1.0 C3C A:HEC405 4.3 12.5 1.0 C3B A:HEC405 4.3 11.7 1.0 C3A A:HEC405 4.3 11.9 1.0 HHB A:HEC405 4.3 13.8 1.0 C2A A:HEC405 4.3 11.7 1.0 CD2 A:HIS292 4.3 12.2 1.0 HHC A:HEC405 4.3 14.1 1.0 HHD A:HEC405 4.4 14.3 1.0 HB3 A:HIS292 4.4 14.6 1.0 HHA A:HEC405 4.5 14.0 1.0 HA A:HIS292 4.5 14.5 1.0 O A:HOH616 4.8 12.2 1.0 CA A:HIS292 4.8 12.1 1.0 HD11 A:LEU209 4.8 16.5 1.0 HB2 A:CYS195 4.9 17.4 1.0 HE2 A:HIS292 4.9 14.9 1.0 HD1 A:HIS196 4.9 15.3 1.0 HA3 A:GLY206 5.0 17.4 1.0

Iron binding site 2 out of 2 in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292H 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, M292H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe406 b:12.5 occ:1.00 FE A:HEC406 0.0 12.5 1.0 ND A:HEC406 2.0 12.4 1.0 NA A:HEC406 2.0 11.7 1.0 NC A:HEC406 2.0 11.6 1.0 NB A:HEC406 2.0 12.1 1.0 NE2 A:HIS60 2.1 12.5 1.0 SD A:MET116 2.4 12.2 1.0 CE1 A:HIS60 3.0 12.2 1.0 C4D A:HEC406 3.0 12.0 1.0 C1A A:HEC406 3.0 12.1 1.0 C1B A:HEC406 3.0 12.0 1.0 C1D A:HEC406 3.0 12.2 1.0 C1C A:HEC406 3.0 11.8 1.0 C4C A:HEC406 3.0 11.8 1.0 C4B A:HEC406 3.0 11.6 1.0 C4A A:HEC406 3.1 11.8 1.0 HE1 A:HIS60 3.1 14.6 1.0 CD2 A:HIS60 3.1 12.4 1.0 HD2 A:HIS60 3.3 14.9 1.0 HG3 A:MET116 3.4 14.3 1.0 CHD A:HEC406 3.4 11.7 1.0 CE A:MET116 3.4 12.9 1.0 CHC A:HEC406 3.4 11.8 1.0 CHA A:HEC406 3.4 12.6 1.0 CHB A:HEC406 3.4 12.0 1.0 HE1 A:MET116 3.4 15.5 1.0 CG A:MET116 3.5 12.0 1.0 HE3 A:MET116 3.5 15.5 1.0 HB2 A:MET116 3.6 14.7 1.0 CB A:MET116 4.1 12.2 1.0 ND1 A:HIS60 4.2 12.5 1.0 C2D A:HEC406 4.2 12.7 1.0 CG A:HIS60 4.2 12.5 1.0 C2B A:HEC406 4.2 12.3 1.0 HE2 A:MET116 4.3 15.5 1.0 C3C A:HEC406 4.3 12.1 1.0 C3D A:HEC406 4.3 12.9 1.0 C2C A:HEC406 4.3 11.9 1.0 HG2 A:MET116 4.3 14.3 1.0 C3A A:HEC406 4.3 12.2 1.0 C2A A:HEC406 4.3 12.1 1.0 C3B A:HEC406 4.3 12.0 1.0 HHA A:HEC406 4.3 15.2 1.0 HE21 A:GLN74 4.3 16.6 1.0 HHD A:HEC406 4.4 14.1 1.0 HHC A:HEC406 4.4 14.2 1.0 HE22 A:GLN74 4.5 16.6 1.0 HB3 A:MET116 4.7 14.7 1.0 NE2 A:GLN74 4.7 13.9 1.0 HHB A:HEC406 4.7 14.4 1.0 HD2 A:PRO72 4.8 17.0 1.0 HA3 A:GLY71 4.9 16.6 1.0 HD1 A:HIS60 4.9 15.0 1.0 HB2 A:CYS59 4.9 15.5 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.