Magnesium 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:

Iron	(Fe)	24 atoms
Calcium	(Ca)	2 atoms

The binding sites of Magnesium 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 Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the Free Radical Intermediate of Pyruvate:Ferredoxin Oxidoreductase, PDB code: 1kek:
Jump to Magnesium binding site number: 1; 2;

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg2237 b:9.6 occ:1.00 O23 A:HTL2236 2.0 15.6 1.0 OD1 A:ASP963 2.1 19.4 1.0 O A:VAL993 2.1 17.6 1.0 O12 A:HTL2236 2.1 13.3 1.0 O A:HOH2375 2.2 16.8 1.0 OG1 A:THR991 2.3 18.9 1.0 CG A:ASP963 3.1 17.7 1.0 P2 A:HTL2236 3.3 15.9 1.0 P1 A:HTL2236 3.3 14.2 1.0 C A:VAL993 3.3 19.3 1.0 O11 A:HTL2236 3.4 13.4 1.0 CB A:THR991 3.5 19.5 1.0 OD2 A:ASP963 3.6 17.9 1.0 O21 A:HTL2236 3.7 16.3 1.0 N A:SER995 3.8 16.5 1.0 N A:ASP963 3.8 14.8 1.0 OG A:SER995 3.9 18.1 1.0 N A:THR991 3.9 19.0 1.0 CG2 A:THR991 4.0 21.2 1.0 CA A:TYR994 4.0 18.4 1.0 N A:TYR994 4.1 17.6 1.0 CA A:THR991 4.2 19.6 1.0 N A:VAL993 4.2 17.4 1.0 O5G A:HTL2236 4.2 16.8 1.0 N A:GLY964 4.3 14.0 1.0 CB A:ASP963 4.3 16.6 1.0 C A:TYR994 4.4 18.1 1.0 CA A:VAL993 4.4 18.5 1.0 O22 A:HTL2236 4.4 15.4 1.0 O13 A:HTL2236 4.4 13.7 1.0 C A:THR991 4.5 19.1 1.0 CB A:SER995 4.5 17.6 1.0 CA A:GLY962 4.5 16.2 1.0 O A:MET989 4.5 18.9 1.0 CA A:ASP963 4.6 15.7 1.0 C A:GLY962 4.6 16.0 1.0 N A:GLU992 4.6 19.8 1.0 CA A:SER995 4.8 17.9 1.0 CG1 A:VAL993 4.9 19.8 1.0 C A:ASP963 5.0 15.6 1.0

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg3237 b:7.2 occ:1.00 OD1 B:ASP963 2.0 11.7 1.0 O12 B:HTL3236 2.1 12.7 1.0 O23 B:HTL3236 2.2 11.6 1.0 O B:VAL993 2.2 14.4 1.0 O B:HOH3382 2.2 12.0 1.0 OG1 B:THR991 2.3 15.6 1.0 CG B:ASP963 3.1 15.4 1.0 P1 B:HTL3236 3.3 12.6 1.0 P2 B:HTL3236 3.3 12.6 1.0 O11 B:HTL3236 3.4 10.1 1.0 C B:VAL993 3.4 16.7 1.0 OD2 B:ASP963 3.6 13.6 1.0 CB B:THR991 3.6 14.3 1.0 O21 B:HTL3236 3.8 11.5 1.0 N B:ASP963 3.8 12.7 1.0 N B:SER995 3.8 15.1 1.0 N B:THR991 3.9 12.3 1.0 OG B:SER995 4.0 12.7 1.0 CG2 B:THR991 4.1 13.7 1.0 CA B:TYR994 4.1 13.9 1.0 O5G B:HTL3236 4.2 11.6 1.0 N B:VAL993 4.2 14.2 1.0 N B:TYR994 4.2 14.5 1.0 CA B:THR991 4.2 13.5 1.0 N B:GLY964 4.2 10.5 1.0 CB B:ASP963 4.3 10.9 1.0 O B:MET989 4.4 13.6 1.0 O13 B:HTL3236 4.4 11.8 1.0 C B:TYR994 4.5 15.9 1.0 CA B:VAL993 4.5 16.4 1.0 O22 B:HTL3236 4.5 10.6 1.0 CA B:GLY962 4.5 8.6 1.0 CA B:ASP963 4.5 12.0 1.0 C B:THR991 4.5 12.8 1.0 N B:GLU992 4.6 12.6 1.0 CB B:SER995 4.6 14.2 1.0 C B:GLY962 4.6 12.0 1.0 CA B:SER995 4.8 12.0 1.0 C B:ASP963 4.9 12.1 1.0 CG1 B:VAL993 4.9 19.1 1.0 C B:ASP990 5.0 15.0 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