Magnesium in PDB 2a9f: Crystal Structure of A Putative Malic Enzyme ((S)-Malate:Nad+ Oxidoreductase (Decarboxylating))

The structure of Crystal Structure of A Putative Malic Enzyme ((S)-Malate:Nad+ Oxidoreductase (Decarboxylating)), PDB code: 2a9f was solved by J.Seetharaman, S.Swaminathan, S.K.Burley, New York Sgx Research Centerfor Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.79 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.258, 79.253, 145.594, 90.00, 90.00, 90.00
R / Rfree (%)	26 / 30.4

The binding sites of Magnesium atom in the Crystal Structure of A Putative Malic Enzyme ((S)-Malate:Nad+ Oxidoreductase (Decarboxylating)) (pdb code 2a9f). 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 A Putative Malic Enzyme ((S)-Malate:Nad+ Oxidoreductase (Decarboxylating)), PDB code: 2a9f:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A Putative Malic Enzyme ((S)-Malate:Nad+ Oxidoreductase (Decarboxylating))


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 A Putative Malic Enzyme ((S)-Malate:Nad+ Oxidoreductase (Decarboxylating)) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg801 b:27.2 occ:1.00 OE2 A:GLU137 2.0 48.0 1.0 O A:HOH819 2.0 48.1 1.0 OD1 A:ASP163 2.0 65.0 1.0 OD1 A:ASP138 2.0 51.9 1.0 O A:HOH818 2.2 46.1 1.0 CG A:ASP163 2.7 64.7 1.0 OD2 A:ASP163 2.8 64.0 1.0 CG A:ASP138 3.1 52.5 1.0 CD A:GLU137 3.1 49.1 1.0 OD2 A:ASP138 3.6 51.6 1.0 O A:HOH820 3.6 49.5 1.0 CG A:GLU137 3.7 48.2 1.0 OE1 A:GLU137 4.2 47.4 1.0 CB A:ASP163 4.2 64.5 1.0 N A:ASP138 4.2 46.6 1.0 CB A:ASP138 4.4 49.7 1.0 NZ A:LYS95 4.5 55.7 1.0 CA A:ASP138 4.6 49.6 1.0 CD1 A:LEU78 4.7 46.8 1.0 OH B:TYR40 4.7 59.3 1.0 CA A:ASP163 4.9 64.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Putative Malic Enzyme ((S)-Malate:Nad+ Oxidoreductase (Decarboxylating))


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 A Putative Malic Enzyme ((S)-Malate:Nad+ Oxidoreductase (Decarboxylating)) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg800 b:22.0 occ:1.00 OE2 B:GLU137 2.0 40.7 1.0 O B:HOH819 2.0 33.2 1.0 O B:HOH818 2.0 36.9 1.0 OD1 B:ASP138 2.1 43.7 1.0 OD1 B:ASP163 2.3 61.6 1.0 O B:HOH807 2.7 45.8 1.0 OD2 B:ASP163 2.7 62.6 1.0 CG B:ASP163 2.9 61.7 1.0 CD B:GLU137 3.2 43.1 1.0 CG B:ASP138 3.2 46.3 1.0 OD2 B:ASP138 3.6 48.1 1.0 CG B:GLU137 3.9 44.5 1.0 OE1 B:GLU137 4.1 46.2 1.0 N B:ASP138 4.3 46.8 1.0 OH A:TYR40 4.4 57.3 1.0 CB B:ASP163 4.4 61.4 1.0 CB B:ASP138 4.4 44.8 1.0 CA B:ASP138 4.6 46.9 1.0 N B:LEU78 4.8 48.7 1.0 CB B:LEU78 5.0 52.3 1.0

J.Seetharaman, S.Swaminathan. Crystal Structure of A Putative Malic Enzyme ((S)-Malate:Nad+ Oxidoreductase (Decarboxylating)) To Be Published.