Calcium 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:

Iron

(Fe)

2 atoms

The binding sites of Calcium 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 Calcium atom.
In total 3 binding sites of Calcium where determined in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292C Mutant, PDB code: 7zs1:
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, M292C Mutant


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, M292C Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:24.9 occ:1.00 O A:VAL231 2.3 28.7 1.0 O A:PRO228 2.4 27.2 1.0 O1D A:HEC404 2.4 27.4 1.0 O A:HOH613 2.4 25.1 1.0 O A:HOH551 2.5 25.6 1.0 O A:HOH612 2.5 25.9 1.0 O2D A:HEC404 2.5 23.7 1.0 CGD A:HEC404 2.8 24.8 1.0 C A:PRO228 3.4 24.3 1.0 C A:VAL231 3.5 33.9 1.0 CA A:PRO228 3.8 24.0 1.0 CBD A:HEC404 4.3 29.0 1.0 N A:VAL231 4.4 29.2 1.0 CA A:VAL231 4.4 30.3 1.0 N A:ILE232 4.4 27.6 1.0 CHA A:HEC404 4.4 24.5 1.0 CA A:ILE232 4.4 28.4 1.0 O A:HOH559 4.6 26.6 1.0 N A:SER229 4.6 24.8 1.0 O A:SER224 4.6 25.8 1.0 CB A:VAL231 4.6 34.0 1.0 CB A:PRO228 4.6 26.1 1.0 CA A:SER224 4.7 24.5 1.0 OG A:SER290 4.7 29.3 1.0 O A:GLU227 4.8 25.1 1.0 OG A:SER224 4.8 24.8 1.0 C1A A:HEC404 4.8 25.9 1.0 CB A:SER224 4.8 25.2 1.0 CA A:SER229 4.9 29.1 1.0 CB A:SER290 4.9 29.9 1.0 CAA A:HEC404 5.0 23.3 1.0

Calcium binding site 2 out of 3 in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292C Mutant


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, M292C Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:27.7 occ:1.00 O A:TYR107 2.2 29.1 1.0 O A:HOH589 2.4 25.3 1.0 O A:PRO104 2.4 31.0 1.0 O2D A:HEC405 2.4 26.7 1.0 O A:HOH578 2.5 28.0 1.0 O1D A:HEC405 2.5 26.6 1.0 O A:HOH600 2.5 30.2 1.0 CGD A:HEC405 2.8 28.1 1.0 C A:PRO104 3.4 28.6 1.0 C A:TYR107 3.5 31.8 1.0 CA A:PRO104 3.8 27.8 1.0 CBD A:HEC405 4.3 25.7 1.0 N A:TYR107 4.3 31.5 1.0 N A:VAL108 4.3 31.7 1.0 CA A:VAL108 4.4 32.6 1.0 CA A:TYR107 4.4 31.7 1.0 CB A:PRO104 4.6 31.0 1.0 CHA A:HEC405 4.6 25.8 1.0 N A:GLU105 4.6 34.1 1.0 O A:HOH540 4.6 31.1 1.0 O A:SER100 4.7 28.1 1.0 CA A:SER100 4.7 27.3 1.0 O A:ASP103 4.7 30.4 1.0 CB A:TYR107 4.8 31.4 1.0 OG A:SER100 4.8 29.6 1.0 CB A:SER100 4.9 25.6 1.0 O A:HOH581 4.9 33.5 1.0 N A:VAL109 5.0 27.3 1.0

Calcium binding site 3 out of 3 in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292C Mutant


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, M292C Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:35.4 occ:1.00 OE2 A:GLU272 2.3 46.6 1.0 OE1 A:GLU272 2.9 41.5 1.0 CD A:GLU272 2.9 38.9 1.0 CG A:GLU272 4.4 42.1 1.0 O A:HOH641 4.8 45.8 1.0 O A:HOH658 5.0 51.8 1.0 O A:HOH649 5.0 52.7 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.