Iron in PDB 9fbk: Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, Without Glycerol Cryoprotectant

The structure of Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, Without Glycerol Cryoprotectant, PDB code: 9fbk was solved by D.Hauser, T.R.M.Barends, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.43 / 1.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.6, 92.1, 55.27, 90, 90, 90
R / Rfree (%)	19.4 / 23.2

The structure of Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, Without Glycerol Cryoprotectant also contains other interesting chemical elements:

Calcium

(Ca)

5 atoms

The binding sites of Iron atom in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, Without Glycerol Cryoprotectant (pdb code 9fbk). 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, Without Glycerol Cryoprotectant, PDB code: 9fbk:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, Without Glycerol Cryoprotectant


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, Without Glycerol Cryoprotectant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe406 b:19.4 occ:1.00 FE A:HEC406 0.0 19.4 1.0 NE2 A:HIS196 2.0 20.2 1.0 ND A:HEC406 2.0 18.2 1.0 NB A:HEC406 2.0 20.5 1.0 NC A:HEC406 2.1 20.4 1.0 NA A:HEC406 2.1 20.1 1.0 SD A:MET292 2.4 18.2 1.0 CE1 A:HIS196 3.0 20.9 1.0 C4D A:HEC406 3.0 23.1 1.0 CD2 A:HIS196 3.0 20.0 1.0 C1A A:HEC406 3.1 20.3 1.0 C1D A:HEC406 3.1 24.7 1.0 C1B A:HEC406 3.1 20.1 1.0 C4C A:HEC406 3.1 19.6 1.0 C4B A:HEC406 3.1 20.7 1.0 C1C A:HEC406 3.1 20.3 1.0 C4A A:HEC406 3.1 17.0 1.0 CHA A:HEC406 3.3 18.6 1.0 CHD A:HEC406 3.4 17.4 1.0 CE A:MET292 3.4 19.4 1.0 CHC A:HEC406 3.5 18.2 1.0 CG A:MET292 3.5 16.5 1.0 CHB A:HEC406 3.5 17.4 1.0 CB A:MET292 4.0 17.0 1.0 ND1 A:HIS196 4.1 20.3 1.0 CG A:HIS196 4.2 19.6 1.0 C3D A:HEC406 4.3 21.8 1.0 C2D A:HEC406 4.3 19.4 1.0 C2B A:HEC406 4.3 24.4 1.0 C3B A:HEC406 4.3 22.9 1.0 C2A A:HEC406 4.3 18.5 1.0 C3C A:HEC406 4.3 17.9 1.0 C2C A:HEC406 4.3 21.1 1.0 C3A A:HEC406 4.3 17.1 1.0 O A:HOH582 4.8 19.2 1.0

Iron binding site 2 out of 2 in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, Without Glycerol Cryoprotectant


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, Without Glycerol Cryoprotectant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe407 b:20.5 occ:1.00 FE A:HEC407 0.0 20.5 1.0 NC A:HEC407 2.0 22.9 1.0 NB A:HEC407 2.0 19.6 1.0 ND A:HEC407 2.0 21.3 1.0 NA A:HEC407 2.1 21.2 1.0 NE2 A:HIS60 2.1 21.9 1.0 SD A:MET116 2.4 20.3 1.0 CE1 A:HIS60 3.0 26.9 1.0 C1C A:HEC407 3.0 23.7 1.0 C4B A:HEC407 3.0 18.4 1.0 C4D A:HEC407 3.0 18.2 1.0 C1A A:HEC407 3.1 24.5 1.0 C1D A:HEC407 3.1 21.5 1.0 C1B A:HEC407 3.1 17.9 1.0 C4C A:HEC407 3.1 18.4 1.0 CD2 A:HIS60 3.1 21.7 1.0 C4A A:HEC407 3.1 20.8 1.0 CHC A:HEC407 3.4 20.5 1.0 CE A:MET116 3.4 22.4 1.0 CHA A:HEC407 3.4 21.1 1.0 CG A:MET116 3.4 16.3 1.0 CHD A:HEC407 3.4 19.6 1.0 CHB A:HEC407 3.5 20.2 1.0 ND1 A:HIS60 4.1 22.8 1.0 CB A:MET116 4.1 20.1 1.0 CG A:HIS60 4.2 18.6 1.0 C2C A:HEC407 4.2 19.7 1.0 C2B A:HEC407 4.3 19.1 1.0 C3B A:HEC407 4.3 19.4 1.0 C3D A:HEC407 4.3 18.9 1.0 C2D A:HEC407 4.3 20.3 1.0 C3C A:HEC407 4.3 23.2 1.0 C2A A:HEC407 4.3 19.6 1.0 C3A A:HEC407 4.3 21.9 1.0 NE2 A:GLN74 4.7 21.3 1.0

M.Akram, D.Hauser, A.Dietl, G.M.Ullmann, T.R.M.Barends. Redox Potential Tuning By Calcium Ions in A Novel C-Type Cytochrome From An Anammox Organism J.Biol.Chem. 2024.
ISSN: ESSN 1083-351X