Magnesium in PDB 5eks: Structure of 3-Dehydroquinate Synthase From Acinetobacter Baumannii in Complex with Nad

All present enzymatic activity of Structure of 3-Dehydroquinate Synthase From Acinetobacter Baumannii in Complex with Nad:
4.2.3.4;

The structure of Structure of 3-Dehydroquinate Synthase From Acinetobacter Baumannii in Complex with Nad, PDB code: 5eks was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.03 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.400, 58.920, 104.810, 90.00, 97.40, 90.00
R / Rfree (%)	16.7 / 21.4

The binding sites of Magnesium atom in the Structure of 3-Dehydroquinate Synthase From Acinetobacter Baumannii in Complex with Nad (pdb code 5eks). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of 3-Dehydroquinate Synthase From Acinetobacter Baumannii in Complex with Nad, PDB code: 5eks:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of 3-Dehydroquinate Synthase From Acinetobacter Baumannii in Complex with Nad


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of 3-Dehydroquinate Synthase From Acinetobacter Baumannii in Complex with Nad within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:29.2 occ:1.00 NE2 A:HIS263 2.2 26.4 1.0 O A:HOH610 2.2 22.1 1.0 NE2 A:HIS246 2.4 53.6 1.0 O A:HOH631 2.6 37.6 1.0 OE2 A:GLU183 2.7 38.6 1.0 CD2 A:HIS263 3.0 22.8 1.0 CE1 A:HIS263 3.3 23.3 1.0 CD2 A:HIS246 3.4 54.1 1.0 CE1 A:HIS246 3.4 54.1 1.0 CD A:GLU183 3.4 35.1 1.0 OE1 A:GLU183 3.7 33.3 1.0 OD2 A:ASP135 3.8 34.9 1.0 CG2 A:VAL267 4.2 18.0 1.0 CG A:HIS263 4.2 21.9 1.0 O A:HOH736 4.2 24.3 1.0 ND1 A:HIS263 4.3 26.4 1.0 ND1 A:HIS246 4.5 52.1 1.0 CG A:HIS246 4.5 50.4 1.0 NZ A:LYS186 4.6 16.5 1.0 CG A:GLU183 4.6 24.9 1.0

Magnesium binding site 2 out of 2 in the Structure of 3-Dehydroquinate Synthase From Acinetobacter Baumannii in Complex with Nad


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of 3-Dehydroquinate Synthase From Acinetobacter Baumannii in Complex with Nad within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:25.4 occ:1.00 NE2 B:HIS246 2.2 31.8 1.0 NE2 B:HIS263 2.2 22.0 1.0 O B:HOH648 2.4 20.5 1.0 OE2 B:GLU183 2.4 34.5 1.0 O B:HOH520 2.4 28.4 1.0 O B:HOH788 2.6 39.5 1.0 CD2 B:HIS263 3.0 21.1 1.0 CD2 B:HIS246 3.1 27.1 1.0 CE1 B:HIS246 3.2 30.9 1.0 CD B:GLU183 3.3 23.7 1.0 CE1 B:HIS263 3.3 19.2 1.0 OE1 B:GLU183 3.6 28.8 1.0 OD2 B:ASP135 4.0 27.6 1.0 CG2 B:VAL267 4.1 14.9 1.0 CG B:HIS246 4.3 23.9 1.0 ND1 B:HIS246 4.3 23.8 1.0 CG B:HIS263 4.3 18.9 1.0 ND1 B:HIS263 4.4 21.6 1.0 O B:HOH725 4.4 44.1 1.0 CG B:GLU183 4.5 16.3 1.0 O B:HOH815 4.5 19.1 1.0 O B:HOH578 4.5 46.0 1.0 NZ B:LYS186 4.6 14.1 1.0

J.Abendroth, D.M.Dranow, D.D.Lorimer, T.E.Edwards. Structure of 3-Dehydroquinate Synthase From Acinetobacter Baumannii in Complex with Nad To Be Published.