Magnesium in PDB 8w3u: Structure of Epimerase MTH373 From the Thermophilic Pseudomurein- Containing Methanogen Methanothermobacter Thermautotrophicus

The structure of Structure of Epimerase MTH373 From the Thermophilic Pseudomurein- Containing Methanogen Methanothermobacter Thermautotrophicus, PDB code: 8w3u was solved by V.Carbone, L.R.Schofield, A.J.Sutherland-Smith, R.S.Ronimus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.27 / 2.00
Space group	P 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	54.481, 81.38, 152.39, 90, 90, 90
R / Rfree (%)	16.3 / 20.4

The structure of Structure of Epimerase MTH373 From the Thermophilic Pseudomurein- Containing Methanogen Methanothermobacter Thermautotrophicus also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Structure of Epimerase MTH373 From the Thermophilic Pseudomurein- Containing Methanogen Methanothermobacter Thermautotrophicus (pdb code 8w3u). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Structure of Epimerase MTH373 From the Thermophilic Pseudomurein- Containing Methanogen Methanothermobacter Thermautotrophicus, PDB code: 8w3u:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Structure of Epimerase MTH373 From the Thermophilic Pseudomurein- Containing Methanogen Methanothermobacter Thermautotrophicus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Epimerase MTH373 From the Thermophilic Pseudomurein- Containing Methanogen Methanothermobacter Thermautotrophicus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg408 b:16.7 occ:1.00 O A:HOH667 3.1 34.3 1.0 O A:HOH611 3.1 14.5 1.0 ND1 A:HIS37 3.2 15.9 1.0 N A:THR38 3.5 16.6 1.0 CA A:HIS37 3.5 16.5 1.0 CB A:HIS37 3.7 16.6 1.0 O A:THR38 3.7 14.7 1.0 CG A:HIS37 3.9 15.6 1.0 CD2 A:TYR43 4.0 13.1 1.0 CE2 A:TYR43 4.0 13.2 1.0 C A:HIS37 4.0 17.4 1.0 CE1 A:HIS37 4.3 16.1 1.0 N A:ARG45 4.5 12.3 1.0 CB A:ARG45 4.6 12.3 1.0 C A:THR38 4.6 17.8 1.0 CA A:THR38 4.7 17.4 1.0 O A:MET36 4.7 14.5 1.0 N A:HIS37 4.8 16.1 1.0

Magnesium binding site 2 out of 3 in the Structure of Epimerase MTH373 From the Thermophilic Pseudomurein- Containing Methanogen Methanothermobacter Thermautotrophicus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Epimerase MTH373 From the Thermophilic Pseudomurein- Containing Methanogen Methanothermobacter Thermautotrophicus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg409 b:32.3 occ:0.50 O A:HOH571 2.4 35.5 1.0 NZ A:LYS87 3.1 11.0 1.0 O B:HOH653 3.2 18.8 0.5 NH1 A:ARG49 3.3 21.8 1.0 CD A:LYS87 3.6 10.6 1.0 CE A:LYS87 3.9 11.1 1.0 CZ A:ARG49 4.5 18.6 1.0 NZ B:LYS87 4.6 9.9 1.0 O A:HOH534 4.9 11.2 1.0 OE2 A:GLU50 4.9 11.3 1.0 NE A:ARG49 4.9 17.9 1.0

Magnesium binding site 3 out of 3 in the Structure of Epimerase MTH373 From the Thermophilic Pseudomurein- Containing Methanogen Methanothermobacter Thermautotrophicus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Epimerase MTH373 From the Thermophilic Pseudomurein- Containing Methanogen Methanothermobacter Thermautotrophicus within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg409 b:15.7 occ:1.00 ND1 B:HIS37 3.0 14.9 1.0 O B:HOH593 3.0 21.6 1.0 O B:HOH651 3.3 32.3 1.0 CA B:HIS37 3.5 15.6 1.0 N B:THR38 3.5 16.0 1.0 CB B:HIS37 3.7 15.4 1.0 CG B:HIS37 3.7 15.2 1.0 O B:THR38 3.8 16.1 1.0 CE2 B:TYR43 3.9 13.3 1.0 CD2 B:TYR43 3.9 13.1 1.0 C B:HIS37 4.0 16.1 1.0 CE1 B:HIS37 4.0 15.2 1.0 O B:HOH561 4.2 24.0 1.0 N B:ARG45 4.4 13.0 1.0 CB B:ARG45 4.4 12.4 1.0 N B:HIS37 4.7 15.5 1.0 O B:MET36 4.7 15.3 1.0 C B:THR38 4.7 17.1 1.0 CA B:THR38 4.7 16.6 1.0 CD2 B:HIS37 5.0 14.8 1.0

V.Carbone, L.R.Schofield, A.J.Sutherland-Smith, R.S.Ronimus. Structurally Characterizing Epimerases From the Thermophilic Pseudomurein-Containing Methanogen Methanothermobacter Thermautotrophicus Delta H To Be Published.