Magnesium in PDB 1b0p: 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: 1b0p was solved by E.Chabriere, M.H.Charon, A.Volbeda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.31
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	84.800, 144.900, 203.000, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 27.1

The structure of Crystal Structure of Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus 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 Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus (pdb code 1b0p). 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 Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus, PDB code: 1b0p:
Jump to Magnesium binding site number: 1; 2;

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg1237 b:2.0 occ:1.00 O2A A:TPP1236 1.8 2.0 1.0 OD1 A:ASP963 1.9 2.0 1.0 O A:VAL993 2.0 2.5 1.0 O1B A:TPP1236 2.0 2.0 1.0 OG1 A:THR991 2.2 2.0 1.0 O A:HOH1352 2.4 8.2 1.0 CG A:ASP963 3.0 2.5 1.0 PA A:TPP1236 3.1 2.0 1.0 C A:VAL993 3.2 2.1 1.0 PB A:TPP1236 3.3 2.1 1.0 O3A A:TPP1236 3.4 2.1 1.0 OD2 A:ASP963 3.5 2.0 1.0 CB A:THR991 3.6 2.0 1.0 O2B A:TPP1236 3.7 2.8 1.0 N A:ASP963 3.7 2.0 1.0 N A:SER995 3.8 2.0 1.0 N A:VAL993 3.9 2.0 1.0 OG A:SER995 4.0 2.0 1.0 O7 A:TPP1236 4.0 2.0 1.0 CA A:TYR994 4.1 2.0 1.0 N A:TYR994 4.1 2.2 1.0 N A:THR991 4.1 2.2 1.0 CB A:ASP963 4.2 2.5 1.0 CA A:VAL993 4.2 2.0 1.0 O1A A:TPP1236 4.2 2.0 1.0 CG2 A:THR991 4.3 2.4 1.0 N A:GLY964 4.3 2.1 1.0 CA A:THR991 4.3 2.0 1.0 C A:TYR994 4.4 2.4 1.0 CA A:ASP963 4.4 2.2 1.0 O3B A:TPP1236 4.4 2.0 1.0 CB A:SER995 4.5 2.4 1.0 N A:GLU992 4.5 2.2 1.0 C A:GLY962 4.6 2.0 1.0 C A:THR991 4.6 2.2 1.0 CA A:GLY962 4.6 2.0 1.0 O A:MET989 4.7 3.3 1.0 CA A:SER995 4.7 2.5 1.0 CG1 A:VAL993 4.8 2.0 1.0 C A:ASP963 4.9 2.0 1.0

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg1237 b:2.0 occ:1.00 OD1 B:ASP963 1.9 2.0 1.0 OG1 B:THR991 1.9 3.8 1.0 O1B B:TPP1236 2.0 2.0 1.0 O B:VAL993 2.1 2.8 1.0 O2A B:TPP1236 2.2 3.2 1.0 O B:HOH1489 2.4 5.4 1.0 CG B:ASP963 2.9 2.5 1.0 C B:VAL993 3.3 2.0 1.0 PB B:TPP1236 3.3 2.0 1.0 CB B:THR991 3.4 2.4 1.0 PA B:TPP1236 3.4 2.0 1.0 OD2 B:ASP963 3.5 2.0 1.0 O3A B:TPP1236 3.5 2.0 1.0 N B:ASP963 3.8 2.0 1.0 O2B B:TPP1236 3.8 2.3 1.0 N B:SER995 3.8 2.0 1.0 N B:VAL993 3.9 2.0 1.0 N B:THR991 3.9 2.0 1.0 CG2 B:THR991 4.1 2.3 1.0 CA B:THR991 4.1 2.3 1.0 CB B:ASP963 4.1 2.0 1.0 CA B:TYR994 4.2 2.1 1.0 N B:TYR994 4.2 2.2 1.0 CA B:VAL993 4.2 2.1 1.0 OG B:SER995 4.3 2.0 1.0 O7 B:TPP1236 4.3 2.0 1.0 N B:GLU992 4.4 2.0 1.0 C B:THR991 4.4 2.0 1.0 N B:GLY964 4.4 2.0 1.0 O B:MET989 4.4 2.1 1.0 O3B B:TPP1236 4.4 2.0 1.0 CA B:ASP963 4.4 2.0 1.0 C B:TYR994 4.5 2.1 1.0 O1A B:TPP1236 4.5 2.0 1.0 CB B:SER995 4.6 2.0 1.0 CA B:GLY962 4.6 2.0 1.0 C B:GLY962 4.6 2.0 1.0 CG1 B:VAL993 4.8 2.0 1.0 CA B:SER995 4.8 2.2 1.0 C B:ASP963 5.0 2.0 1.0

E.Chabriere, M.H.Charon, A.Volbeda, L.Pieulle, E.C.Hatchikian, J.C.Fontecilla-Camps. Crystal Structures of the Key Anaerobic Enzyme Pyruvate:Ferredoxin Oxidoreductase, Free and in Complex with Pyruvate. Nat.Struct.Biol. V. 6 182 1999.
ISSN: ISSN 1072-8368
PubMed: 10048931
DOI: 10.1038/5870