Calcium 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:

Iron

(Fe)

2 atoms

The binding sites of Calcium atom in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis (pdb code 7zs0). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, PDB code: 7zs0:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:21.0 occ:1.00 O A:VAL231 2.3 22.1 1.0 O A:PRO228 2.3 20.4 1.0 O A:HOH600 2.4 18.1 1.0 O2D A:HEC404 2.5 20.4 1.0 O1D A:HEC404 2.5 18.7 1.0 O A:HOH620 2.5 19.0 1.0 O A:HOH588 2.5 19.8 1.0 CGD A:HEC404 2.8 21.1 1.0 C A:PRO228 3.4 17.3 1.0 C A:VAL231 3.5 26.6 1.0 CA A:PRO228 3.8 17.4 1.0 CBD A:HEC404 4.3 20.0 1.0 N A:VAL231 4.4 24.4 1.0 N A:ILE232 4.4 23.9 1.0 CA A:ILE232 4.4 24.0 1.0 CA A:VAL231 4.4 26.6 1.0 O A:HOH626 4.5 20.8 1.0 CHA A:HEC404 4.5 19.1 1.0 N A:SER229 4.5 17.4 1.0 CB A:PRO228 4.5 19.4 1.0 CB A:VAL231 4.6 28.5 1.0 CA A:SER224 4.7 16.7 1.0 O A:SER224 4.7 18.7 1.0 O A:GLU227 4.7 20.5 1.0 OG A:SER224 4.7 20.6 1.0 CG1 A:VAL231 4.8 31.9 1.0 CB A:SER224 4.9 18.7 1.0 OG A:SER290 4.9 22.2 1.0 N A:VAL233 4.9 21.1 1.0 CA A:SER229 4.9 21.8 1.0 CB A:SER290 4.9 21.1 1.0

Calcium binding site 2 out of 3 in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:22.5 occ:1.00 O A:TYR107 2.2 23.3 1.0 O A:HOH609 2.3 20.5 1.0 O A:PRO104 2.4 24.0 1.0 O2D A:HEC405 2.5 23.0 1.0 O1D A:HEC405 2.5 24.1 1.0 O A:HOH622 2.5 21.2 1.0 O A:HOH582 2.5 22.4 1.0 CGD A:HEC405 2.8 23.7 1.0 C A:PRO104 3.4 23.7 1.0 C A:TYR107 3.4 25.4 1.0 CA A:PRO104 3.8 23.5 1.0 N A:TYR107 4.3 25.9 1.0 CBD A:HEC405 4.3 24.0 1.0 N A:VAL108 4.4 26.9 1.0 CA A:TYR107 4.4 27.4 1.0 CA A:VAL108 4.4 24.8 1.0 CB A:PRO104 4.6 22.7 1.0 N A:GLU105 4.6 23.0 1.0 O A:HOH583 4.6 23.3 1.0 CHA A:HEC405 4.6 21.3 1.0 O A:SER100 4.7 22.1 1.0 CB A:TYR107 4.7 25.2 1.0 CA A:SER100 4.7 22.4 1.0 O A:ASP103 4.7 24.4 1.0 OG A:SER100 4.8 22.7 1.0 O A:HOH569 4.8 25.8 1.0 CB A:SER100 4.9 22.0 1.0 N A:VAL109 5.0 25.4 1.0

Calcium binding site 3 out of 3 in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:29.3 occ:1.00 OE2 A:GLU272 2.4 33.4 1.0 O A:HOH703 2.5 37.1 1.0 OE1 A:GLU272 2.7 31.1 1.0 CD A:GLU272 2.9 32.3 1.0 CG A:GLU272 4.4 30.8 1.0 O A:HOH731 4.8 41.6 1.0 O A:HOH575 4.8 37.2 1.0 O A:HOH733 5.0 37.7 1.0 O A:HOH543 5.0 31.4 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.