Calcium in PDB 1kek: Crystal Structure of the Free Radical Intermediate of Pyruvate:Ferredoxin Oxidoreductase

All present enzymatic activity of Crystal Structure of the Free Radical Intermediate of Pyruvate:Ferredoxin Oxidoreductase:
1.2.7.1;

The structure of Crystal Structure of the Free Radical Intermediate of Pyruvate:Ferredoxin Oxidoreductase, PDB code: 1kek was solved by E.Chabriere, X.Vernede, B.Guigliarelli, M.-H.Charon, 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)	27.38 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.110, 145.760, 210.260, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 22.7

The structure of Crystal Structure of the Free Radical Intermediate of Pyruvate:Ferredoxin Oxidoreductase 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 the Free Radical Intermediate of Pyruvate:Ferredoxin Oxidoreductase (pdb code 1kek). 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 the Free Radical Intermediate of Pyruvate:Ferredoxin Oxidoreductase, PDB code: 1kek:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Free Radical Intermediate of Pyruvate:Ferredoxin Oxidoreductase


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 the Free Radical Intermediate of Pyruvate:Ferredoxin Oxidoreductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2238 b:35.6 occ:1.00 O A:PHE1059 2.6 19.5 1.0 OD1 A:ASN985 2.7 15.3 1.0 OD2 A:ASP983 2.8 18.5 1.0 O A:ALA1056 2.9 17.6 1.0 O A:GLY1061 3.0 17.4 1.0 OG A:SER1063 3.3 25.1 1.0 O A:GLU1057 3.3 16.6 1.0 CG A:ASN985 3.7 16.2 1.0 C A:PHE1059 3.8 21.0 1.0 C A:GLU1057 3.9 18.8 1.0 O A:HOH2284 3.9 21.9 1.0 CG A:ASP983 3.9 19.6 1.0 O A:VAL984 3.9 17.4 1.0 C A:ALA1056 4.0 16.9 1.0 N A:PHE1059 4.1 16.7 1.0 CA A:GLU1057 4.1 19.3 1.0 ND2 A:ASN985 4.1 13.9 1.0 CB A:SER1063 4.1 18.2 1.0 CB A:PHE1059 4.2 18.9 1.0 CA A:PHE1059 4.2 18.7 1.0 C A:GLY1061 4.2 18.9 1.0 C A:VAL984 4.4 16.1 1.0 N A:GLY1061 4.5 26.3 1.0 O A:HOH2642 4.5 27.4 1.0 N A:VAL984 4.5 17.2 1.0 N A:GLU1057 4.6 20.1 1.0 N A:SER1063 4.6 16.2 1.0 CA A:ASP983 4.6 17.4 1.0 OD1 A:ASP983 4.7 21.6 1.0 C A:ASP983 4.7 17.7 1.0 CD2 A:PHE1059 4.8 18.4 1.0 CB A:ASP983 4.8 19.6 1.0 N A:SER1058 4.8 18.0 1.0 C A:SER1058 4.8 18.9 1.0 N A:PRO1060 4.8 22.5 1.0 C A:PRO1062 4.8 15.1 1.0 CB A:ASN985 4.9 15.0 1.0 N A:ASN985 5.0 14.8 1.0 CG A:PHE1059 5.0 21.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Free Radical Intermediate of Pyruvate:Ferredoxin Oxidoreductase


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 the Free Radical Intermediate of Pyruvate:Ferredoxin Oxidoreductase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca3238 b:32.1 occ:1.00 O B:PHE1059 2.7 18.5 1.0 OD1 B:ASN985 2.7 16.4 1.0 OD2 B:ASP983 2.8 26.7 1.0 O B:ALA1056 2.9 17.9 1.0 O B:GLY1061 3.0 16.2 1.0 OG B:SER1063 3.4 22.9 1.0 O B:GLU1057 3.5 15.5 1.0 CG B:ASN985 3.6 16.0 1.0 C B:PHE1059 3.8 18.3 1.0 O B:VAL984 3.8 16.0 1.0 CG B:ASP983 3.9 23.4 1.0 CB B:SER1063 4.0 13.5 1.0 C B:GLU1057 4.0 16.5 1.0 C B:ALA1056 4.0 15.5 1.0 ND2 B:ASN985 4.1 15.7 1.0 O B:HOH3365 4.1 21.9 1.0 CA B:GLU1057 4.2 15.5 1.0 C B:GLY1061 4.2 17.4 1.0 N B:PHE1059 4.2 16.2 1.0 CB B:PHE1059 4.3 15.7 1.0 C B:VAL984 4.3 16.7 1.0 CA B:PHE1059 4.3 15.9 1.0 N B:GLY1061 4.4 22.2 1.0 N B:VAL984 4.5 18.1 1.0 N B:SER1063 4.5 13.7 1.0 O B:HOH3464 4.5 21.0 1.0 N B:GLU1057 4.6 15.0 1.0 CA B:ASP983 4.7 19.1 1.0 OD1 B:ASP983 4.7 23.3 1.0 CD2 B:PHE1059 4.7 15.1 1.0 C B:ASP983 4.7 15.7 1.0 CB B:ASP983 4.8 20.8 1.0 C B:PRO1062 4.8 14.7 1.0 CB B:ASN985 4.8 14.3 1.0 N B:PRO1060 4.8 19.3 1.0 N B:ASN985 4.9 14.4 1.0 CA B:SER1063 4.9 13.4 1.0 C B:SER1058 4.9 17.4 1.0 N B:SER1058 4.9 16.7 1.0 CA B:PRO1062 4.9 15.9 1.0 CA B:ASN985 4.9 13.5 1.0

E.Chabriere, X.Vernede, B.Guigliarelli, M.H.Charon, E.C.Hatchikian, J.C.Fontecilla-Camps. Crystal Structure of the Free Radical Intermediate of Pyruvate:Ferredoxin Oxidoreductase. Science V. 294 2559 2001.
ISSN: ISSN 0036-8075
PubMed: 11752578
DOI: 10.1126/SCIENCE.1066198