Calcium 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:

Iron

(Fe)

2 atoms

The binding sites of Calcium 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 Calcium atom.
In total 4 binding sites of Calcium where determined in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292H Mutant, PDB code: 7zs2:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292H 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, M292H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:12.0 occ:1.00 O A:VAL231 2.3 15.2 1.0 O A:PRO228 2.4 12.4 1.0 O A:HOH616 2.4 12.2 1.0 O A:HOH744 2.4 13.1 1.0 O1D A:HEC405 2.4 12.8 1.0 O A:HOH733 2.5 12.8 1.0 O2D A:HEC405 2.5 12.7 1.0 CGD A:HEC405 2.8 12.9 1.0 HA A:PRO228 3.3 15.0 1.0 C A:PRO228 3.4 12.2 1.0 C A:VAL231 3.5 14.3 1.0 H A:VAL231 3.6 17.2 1.0 HA A:ILE232 3.6 17.0 1.0 HB A:VAL231 3.8 19.9 1.0 CA A:PRO228 3.8 12.5 1.0 HA A:SER224 3.8 14.1 1.0 HD13 A:ILE232 3.9 23.8 1.0 HHA A:HEC405 3.9 14.0 1.0 HG A:SER290 4.1 12.2 0.6 HAA2 A:HEC405 4.2 14.0 1.0 N A:VAL231 4.3 14.3 1.0 HG12 A:VAL231 4.3 21.8 1.0 CA A:VAL231 4.3 14.8 1.0 H A:VAL233 4.3 15.4 1.0 CBD A:HEC405 4.3 12.5 1.0 CHA A:HEC405 4.4 11.6 1.0 N A:ILE232 4.4 14.4 1.0 HB2 A:PRO228 4.4 17.3 1.0 HB3 A:SER290 4.4 25.5 0.5 HG23 A:VAL233 4.4 17.3 1.0 CA A:ILE232 4.4 14.2 1.0 HB2 A:SER290 4.4 17.0 0.6 CB A:VAL231 4.5 16.6 1.0 HA A:SER229 4.5 16.3 1.0 O A:HOH608 4.5 14.1 1.0 CB A:PRO228 4.6 14.4 1.0 N A:SER229 4.6 12.6 1.0 HB3 A:PRO228 4.6 17.3 1.0 HB3 A:SER224 4.6 14.3 1.0 O A:SER224 4.7 11.9 1.0 CA A:SER224 4.7 11.7 1.0 OG A:SER224 4.7 13.1 1.0 HBD2 A:HEC405 4.7 15.1 1.0 O A:GLU227 4.7 12.7 1.0 HBD1 A:HEC405 4.7 15.1 1.0 OG A:SER290 4.8 10.2 0.6 H A:ALA230 4.9 16.2 1.0 CD1 A:ILE232 4.9 19.9 1.0 OG A:SER290 4.9 27.1 0.5 HB2 A:SER290 4.9 25.5 0.5 C1A A:HEC405 4.9 11.8 1.0 CB A:SER224 4.9 11.9 1.0 HAD2 A:HEC405 4.9 15.1 1.0 CB A:SER290 4.9 21.3 0.5 CG1 A:VAL231 4.9 18.2 1.0 CA A:SER229 5.0 13.6 1.0 N A:VAL233 5.0 12.8 1.0 CAA A:HEC405 5.0 11.7 1.0

Calcium binding site 2 out of 4 in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292H 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, M292H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:13.0 occ:1.00 O A:TYR107 2.3 14.9 1.0 O A:HOH655 2.4 13.1 1.0 O A:PRO104 2.4 13.9 1.0 O A:HOH727 2.4 13.9 1.0 O A:HOH738 2.5 14.3 1.0 O1D A:HEC406 2.5 14.1 1.0 O2D A:HEC406 2.5 13.7 1.0 CGD A:HEC406 2.8 13.3 1.0 HA A:PRO104 3.3 15.8 1.0 C A:PRO104 3.4 13.7 1.0 C A:TYR107 3.5 14.6 1.0 HA A:VAL108 3.6 18.2 1.0 H A:TYR107 3.6 18.8 1.0 CA A:PRO104 3.8 13.2 1.0 HA A:SER100 3.8 15.5 1.0 HB3 A:TYR107 4.0 20.5 1.0 HB3 A:PRO104 4.2 17.6 1.0 HD2 A:TYR107 4.2 20.2 1.0 H A:VAL109 4.3 17.9 1.0 CBD A:HEC406 4.3 13.7 1.0 N A:TYR107 4.3 15.7 1.0 CA A:VAL108 4.4 15.2 1.0 N A:VAL108 4.4 15.2 1.0 HAA2 A:HEC406 4.4 15.0 1.0 CA A:TYR107 4.4 15.9 1.0 HG23 A:VAL109 4.5 18.9 1.0 HG22 A:VAL108 4.5 20.8 1.0 O A:HOH619 4.5 15.7 1.0 CB A:PRO104 4.5 14.6 1.0 HB3 A:SER100 4.6 16.3 1.0 N A:GLU105 4.6 14.6 1.0 HHA A:HEC406 4.6 15.2 1.0 O A:SER100 4.7 13.4 1.0 CHA A:HEC406 4.7 12.6 1.0 CB A:TYR107 4.7 17.1 1.0 CA A:SER100 4.7 12.9 1.0 HBD2 A:HEC406 4.7 16.4 1.0 O A:ASP103 4.7 13.9 1.0 HBD1 A:HEC406 4.7 16.4 1.0 OG A:SER100 4.7 14.4 1.0 HA A:GLU105 4.8 19.5 1.0 H A:LYS106 4.8 19.5 1.0 HB2 A:PRO104 4.9 17.6 1.0 CB A:SER100 4.9 13.6 1.0 O A:HOH650 4.9 17.0 1.0 HAD2 A:HEC406 5.0 15.8 1.0 N A:VAL109 5.0 14.9 1.0

Calcium binding site 3 out of 4 in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292H 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, M292H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:17.2 occ:1.00 O A:HOH911 2.4 24.8 1.0 O A:HOH1063 2.4 23.7 1.0 O A:HOH869 2.4 22.8 1.0 OE1 A:GLU272 2.5 21.1 1.0 OE2 A:GLU272 2.6 20.0 1.0 CD A:GLU272 2.9 18.7 1.0 CG A:GLU272 4.4 20.2 1.0 HD12 A:LEU265 4.6 22.6 1.0 HG2 A:GLU272 4.8 24.3 1.0 O A:HOH820 4.8 35.2 1.0 HG3 A:GLU272 4.8 24.3 1.0 O A:HOH989 4.9 27.6 1.0

Calcium binding site 4 out of 4 in the Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292H Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Diheme Cytochrome C KUSTD1711 From Kuenenia Stuttgartiensis, M292H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:18.7 occ:0.45 O A:HOH997 2.0 29.0 1.0 O A:HOH592 2.1 27.3 1.0 O A:HOH849 2.2 23.7 1.0 O A:HOH936 2.3 37.8 1.0 O A:GLU266 2.5 16.6 1.0 O A:HOH712 2.5 29.6 1.0 O A:HOH1019 3.0 16.4 1.0 H A:GLU266 3.3 17.0 1.0 O A:HOH1071 3.6 45.4 1.0 C A:GLU266 3.7 15.2 1.0 N A:GLU266 4.0 14.2 1.0 HB3 A:GLU266 4.1 18.0 1.0 O A:ASN250 4.2 14.8 1.0 O A:HOH569 4.3 34.9 1.0 CA A:GLU266 4.3 14.2 1.0 OE1 A:GLU266 4.4 19.2 1.0 HB2 A:ASN250 4.4 16.5 1.0 HA A:GLU267 4.4 23.9 1.0 O A:HOH880 4.5 32.9 1.0 HB2 A:GLU267 4.6 28.6 1.0 HB3 A:LEU265 4.6 17.8 1.0 N A:GLU267 4.7 16.3 1.0 CB A:GLU266 4.7 15.0 1.0 O A:HOH989 4.8 27.6 1.0 HA A:LEU265 4.9 16.9 1.0 CA A:GLU267 5.0 19.9 1.0 OE1 A:GLU267 5.0 39.4 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.