Calcium in PDB 2bq4: Crystal Structure of Type I Cytochrome C3 From Desulfovibrio Africanus

The structure of Crystal Structure of Type I Cytochrome C3 From Desulfovibrio Africanus, PDB code: 2bq4 was solved by M.Czjzek, L.Pieulle, X.Morelli, F.Guerlesquin, E.C.Hatchikian, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.22 / 1.68
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	100.900, 46.300, 54.816, 90.00, 118.97, 90.00
R / Rfree (%)	20 / 24

The structure of Crystal Structure of Type I Cytochrome C3 From Desulfovibrio Africanus also contains other interesting chemical elements:

Iron

(Fe)

8 atoms

The binding sites of Calcium atom in the Crystal Structure of Type I Cytochrome C3 From Desulfovibrio Africanus (pdb code 2bq4). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Type I Cytochrome C3 From Desulfovibrio Africanus, PDB code: 2bq4:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Type I Cytochrome C3 From Desulfovibrio Africanus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Type I Cytochrome C3 From Desulfovibrio Africanus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1119 b:9.2 occ:1.00 O2D A:HEC1118 2.3 8.5 1.0 O A:TYR21 2.3 5.5 1.0 O A:LEU12 2.4 7.9 1.0 OD1 A:ASP10 2.4 8.3 1.0 OE2 A:GLU20 2.4 9.0 1.0 O2A A:HEC1118 2.4 10.8 1.0 C A:LEU12 3.4 8.6 1.0 CD A:GLU20 3.5 9.0 1.0 CGD A:HEC1118 3.5 8.2 1.0 C A:TYR21 3.5 5.8 1.0 CG A:ASP10 3.5 8.6 1.0 CGA A:HEC1118 3.6 11.7 1.0 N A:TYR21 3.9 6.2 1.0 CG A:GLU20 3.9 8.5 1.0 N A:LEU12 4.0 8.2 1.0 CA A:ASP10 4.1 8.1 1.0 CBD A:HEC1118 4.1 8.0 1.0 CA A:LEU12 4.1 8.2 1.0 O1A A:HEC1118 4.2 11.1 1.0 CA A:TYR21 4.3 5.9 1.0 CB A:ASP10 4.3 8.4 1.0 CG A:LYS22 4.4 6.8 1.0 OD2 A:ASP10 4.4 10.0 1.0 CB A:LEU12 4.4 8.1 1.0 C A:ASP10 4.4 8.6 1.0 N A:LYS22 4.5 6.1 1.0 O1D A:HEC1118 4.5 9.1 1.0 NZ A:LYS22 4.5 8.0 1.0 N A:SER13 4.5 9.3 1.0 CBA A:HEC1118 4.5 10.1 1.0 OE1 A:GLU20 4.5 9.8 1.0 N A:HIS11 4.6 8.6 1.0 CA A:LYS22 4.7 6.3 1.0 C A:GLU20 4.8 6.7 1.0 CA A:SER13 4.8 10.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Type I Cytochrome C3 From Desulfovibrio Africanus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Type I Cytochrome C3 From Desulfovibrio Africanus within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1120 b:9.7 occ:1.00 O2D B:HEC1119 2.3 8.1 1.0 O2A B:HEC1119 2.3 11.2 1.0 O B:TYR21 2.3 5.9 1.0 OE2 B:GLU20 2.4 10.3 1.0 OD1 B:ASP10 2.4 6.1 1.0 O B:LEU12 2.4 8.5 1.0 CD B:GLU20 3.4 11.4 1.0 C B:LEU12 3.5 9.5 1.0 C B:TYR21 3.5 6.0 1.0 CGD B:HEC1119 3.5 8.7 1.0 CGA B:HEC1119 3.5 8.9 1.0 CG B:ASP10 3.5 6.8 1.0 CG B:GLU20 3.9 10.0 1.0 N B:TYR21 3.9 7.0 1.0 N B:LEU12 4.0 8.2 1.0 CA B:ASP10 4.1 5.8 1.0 CA B:LEU12 4.1 8.8 1.0 CBD B:HEC1119 4.2 8.3 1.0 O1A B:HEC1119 4.2 8.6 1.0 CB B:ASP10 4.3 6.2 1.0 CA B:TYR21 4.3 6.3 1.0 CB B:LEU12 4.3 9.1 1.0 CG B:LYS22 4.4 6.9 1.0 OD2 B:ASP10 4.4 10.4 1.0 C B:ASP10 4.4 6.2 1.0 OE1 B:GLU20 4.4 12.8 1.0 NZ B:LYS22 4.5 9.8 1.0 N B:LYS22 4.5 5.6 1.0 O1D B:HEC1119 4.5 9.5 1.0 CBA B:HEC1119 4.5 8.6 1.0 N B:SER13 4.5 10.8 1.0 N B:HIS11 4.6 6.5 1.0 CA B:LYS22 4.7 5.8 1.0 CA B:SER13 4.8 12.1 1.0 C B:GLU20 4.8 7.7 1.0

L.Pieulle, X.Morelli, P.Gallice, E.Lojou, P.Barbier, M.Czjzek, P.Bianco, F.Guerlesquin, E.C.Hatchikian. The Type I / Type II Cytochrome C(3) Complex: An Electron Transfer Link in the Hydrogen-Sulfate Reduction Pathway. J.Mol.Biol. V. 354 73 2005.
ISSN: ISSN 0022-2836
PubMed: 16226767
DOI: 10.1016/J.JMB.2005.09.036