Calcium in PDB 2c42: Crystal Structure of Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus

All present enzymatic activity of Crystal Structure of Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus:
1.2.7.1;

The structure of Crystal Structure of Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus, PDB code: 2c42 was solved by C.Cavazza, C.Contreras-Martel, L.Pieulle, E.Chabriere, E.C.Hatchikian, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.15 / 1.78
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.304, 145.981, 211.607, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 21.9

The structure of Crystal Structure of Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Iron	(Fe)	24 atoms

The binding sites of Calcium atom in the Crystal Structure of Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus (pdb code 2c42). 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 Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus, PDB code: 2c42:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Pyruvate-Ferredoxin Oxidoreductase 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 Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca3239 b:40.9 occ:1.00 OD1 A:ASN985 2.7 16.9 1.0 OD2 A:ASP983 2.8 18.0 1.0 O A:GLY1061 2.8 16.1 1.0 O A:PHE1059 2.9 20.1 1.0 O A:ALA1056 3.0 19.6 1.0 OG A:SER1063 3.2 22.3 1.0 CG A:ASN985 3.6 18.2 1.0 O A:GLU1057 3.6 18.4 1.0 O A:VAL984 3.7 16.2 1.0 O A:HOH2473 3.9 21.9 1.0 CG A:ASP983 3.9 19.1 1.0 C A:PHE1059 4.0 20.6 1.0 CB A:SER1063 4.0 18.6 1.0 ND2 A:ASN985 4.1 15.8 1.0 C A:GLY1061 4.1 17.4 1.0 C A:GLU1057 4.1 21.7 1.0 C A:VAL984 4.2 16.8 1.0 C A:ALA1056 4.2 18.2 1.0 N A:VAL984 4.2 16.6 1.0 CA A:GLU1057 4.3 20.1 1.0 CB A:PHE1059 4.3 18.1 1.0 N A:PHE1059 4.4 17.1 1.0 N A:GLY1061 4.4 23.6 1.0 N A:SER1063 4.4 13.5 1.0 CA A:PHE1059 4.5 21.0 1.0 C A:ASP983 4.5 16.3 1.0 CA A:ASP983 4.6 18.0 1.0 O A:HOH2437 4.7 20.4 1.0 OD1 A:ASP983 4.7 19.9 1.0 N A:ASN985 4.7 16.8 1.0 N A:GLU1057 4.7 19.8 1.0 C A:PRO1062 4.8 15.6 1.0 CA A:VAL984 4.8 17.8 1.0 CB A:ASN985 4.8 15.9 1.0 CB A:ASP983 4.8 19.7 1.0 CD2 A:PHE1059 4.8 19.8 1.0 CA A:ASN985 4.9 16.9 1.0 CA A:SER1063 4.9 15.4 1.0 CA A:GLY1061 4.9 17.6 1.0 CA A:PRO1062 4.9 16.5 1.0 N A:PRO1062 4.9 16.5 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Pyruvate-Ferredoxin Oxidoreductase 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 Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca3239 b:44.8 occ:1.00 OD1 B:ASN985 2.6 15.6 1.0 OD2 B:ASP983 2.8 20.9 1.0 O B:PHE1059 2.9 18.3 1.0 O B:GLY1061 2.9 14.3 1.0 O B:ALA1056 3.0 16.8 1.0 OG B:SER1063 3.2 17.1 1.0 O B:HOH2548 3.4 28.2 1.0 CG B:ASN985 3.5 17.6 1.0 O B:VAL984 3.6 15.0 1.0 O B:GLU1057 3.7 20.9 1.0 CB B:SER1063 3.9 13.2 1.0 C B:PHE1059 4.0 19.5 1.0 CG B:ASP983 4.0 23.5 1.0 ND2 B:ASN985 4.0 17.5 1.0 C B:ALA1056 4.1 15.2 1.0 C B:GLY1061 4.1 15.8 1.0 C B:VAL984 4.2 16.8 1.0 C B:GLU1057 4.2 20.8 1.0 CA B:GLU1057 4.3 18.3 1.0 N B:VAL984 4.3 16.2 1.0 CB B:PHE1059 4.3 18.2 1.0 N B:SER1063 4.4 14.1 1.0 N B:GLY1061 4.4 23.3 1.0 N B:PHE1059 4.5 17.4 1.0 CA B:PHE1059 4.5 18.1 1.0 C B:ASP983 4.6 16.6 1.0 O B:HOH2546 4.7 23.4 1.0 CA B:ASP983 4.7 17.5 1.0 OD1 B:ASP983 4.7 25.4 1.0 N B:GLU1057 4.7 13.8 1.0 N B:ASN985 4.7 15.5 1.0 CB B:ASN985 4.7 12.3 1.0 C B:PRO1062 4.8 14.7 1.0 CD2 B:PHE1059 4.8 15.2 1.0 CA B:ASN985 4.8 14.6 1.0 CA B:SER1063 4.8 16.6 1.0 CA B:VAL984 4.8 15.5 1.0 CB B:ASP983 4.9 18.5 1.0 CA B:GLY1061 5.0 21.0 1.0 CA B:PRO1062 5.0 15.9 1.0

C.Cavazza, C.Contreras-Martel, L.Pieulle, E.Chabriere, E.C.Hatchikian, J.C.Fontecilla-Camps. Flexibility of Thiamine Diphosphate Revealed By Kinetic Crystallographic Studies of the Reaction of Pyruvate-Ferredoxin Oxidoreductase with Pyruvate. Structure V. 14 217 2006.
ISSN: ISSN 0969-2126
PubMed: 16472741
DOI: 10.1016/J.STR.2005.10.013