Magnesium in PDB 9cit: Crystal Structure of Pyrophosphate-Dependent Phosphofructokinase From Candidatus Prometheoarchaeum Syntrophicum with Phosphoenolpyruvate, Phosphate and MG2+

The structure of Crystal Structure of Pyrophosphate-Dependent Phosphofructokinase From Candidatus Prometheoarchaeum Syntrophicum with Phosphoenolpyruvate, Phosphate and MG2+, PDB code: 9cit was solved by J.A.Compton, Y.Yosaatmadja, G.Bashiri, C.J.Vickers, W.M.Patrick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.58 / 2.57
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	85.577, 71.995, 136.754, 90, 90.71, 90
R / Rfree (%)	21.6 / 27.5

The binding sites of Magnesium atom in the Crystal Structure of Pyrophosphate-Dependent Phosphofructokinase From Candidatus Prometheoarchaeum Syntrophicum with Phosphoenolpyruvate, Phosphate and MG2+ (pdb code 9cit). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Pyrophosphate-Dependent Phosphofructokinase From Candidatus Prometheoarchaeum Syntrophicum with Phosphoenolpyruvate, Phosphate and MG2+, PDB code: 9cit:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Pyrophosphate-Dependent Phosphofructokinase From Candidatus Prometheoarchaeum Syntrophicum with Phosphoenolpyruvate, Phosphate and MG2+


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 Pyrophosphate-Dependent Phosphofructokinase From Candidatus Prometheoarchaeum Syntrophicum with Phosphoenolpyruvate, Phosphate and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:73.8 occ:1.00 OD2 A:ASP130 2.9 76.7 1.0 OD2 A:ASP131 3.1 72.5 1.0 OD1 A:ASP130 3.1 76.9 1.0 CG A:ASP130 3.4 75.4 1.0 O1P A:PEP502 3.7 77.7 1.0 O2' A:PEP502 3.8 69.4 1.0 O2 A:PEP502 4.0 73.1 1.0 CG A:ASP131 4.0 73.3 1.0 P A:PEP502 4.4 72.5 1.0 CB A:ASP131 4.7 72.6 1.0 O3P A:PEP502 4.8 69.9 1.0 OD1 A:ASP131 4.9 68.2 1.0 C1 A:PEP502 4.9 69.9 1.0 CB A:ASP130 4.9 75.4 1.0 N A:ASP131 5.0 72.8 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Pyrophosphate-Dependent Phosphofructokinase From Candidatus Prometheoarchaeum Syntrophicum with Phosphoenolpyruvate, Phosphate and MG2+


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 Pyrophosphate-Dependent Phosphofructokinase From Candidatus Prometheoarchaeum Syntrophicum with Phosphoenolpyruvate, Phosphate and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg501 b:73.0 occ:1.00 OD2 C:ASP131 2.8 75.1 1.0 CG C:ASP131 4.0 67.1 1.0 CB C:ASP130 4.0 65.8 1.0 N C:ASP131 4.2 61.4 1.0 N C:ASP130 4.3 64.1 1.0 CB C:ASP131 4.6 61.8 1.0 CA C:ASP130 4.6 64.8 1.0 C C:ASP130 4.9 64.3 1.0 OD1 C:ASP131 5.0 73.9 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Pyrophosphate-Dependent Phosphofructokinase From Candidatus Prometheoarchaeum Syntrophicum with Phosphoenolpyruvate, Phosphate and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Pyrophosphate-Dependent Phosphofructokinase From Candidatus Prometheoarchaeum Syntrophicum with Phosphoenolpyruvate, Phosphate and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg501 b:80.7 occ:1.00 OD1 D:ASP130 3.4 73.8 1.0 CB D:ASP131 3.7 79.7 1.0 CG D:ASP131 4.0 64.3 1.0 OD2 D:ASP131 4.1 60.2 1.0 N D:ASP131 4.1 76.5 1.0 CG D:ASP130 4.3 73.7 1.0 CA D:ASP131 4.3 78.7 1.0 OD2 D:ASP130 4.4 75.2 1.0 OD2 D:ASP200 4.7 69.1 1.0 NZ D:LYS377 4.8 63.0 1.0 OD1 D:ASP131 4.8 65.5 1.0

J.A.Compton, Y.Yosaatmadja, G.Bashiri, C.J.Vickers, W.M.Patrick. Structure and Function of An Unusual, Multi-Tasking Phosphofructokinase From An Asgard Archaeon To Be Published.