Chlorine 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:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Epimerase MTH373 From the Thermophilic Pseudomurein- Containing Methanogen Methanothermobacter Thermautotrophicus, PDB code: 8w3u:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Epimerase MTH373 From the Thermophilic Pseudomurein- Containing Methanogen Methanothermobacter Thermautotrophicus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl410 b:30.2 occ:1.00 C5N A:NAD402 2.6 15.2 0.7 OG A:SER112 2.7 8.7 1.0 C4N A:NAD402 2.9 15.5 0.7 O A:HOH514 3.0 35.2 1.0 OH A:TYR142 3.0 11.8 1.0 O A:HOH547 3.2 10.1 1.0 C6N A:NAD402 3.3 15.0 0.7 CE2 A:TYR142 3.4 10.8 1.0 CB A:SER112 3.6 9.0 1.0 CZ A:TYR142 3.6 10.9 1.0 CE1 A:TYR73 3.9 22.4 1.0 C3N A:NAD402 3.9 15.7 0.7 CG A:GLU114 4.1 17.8 1.0 N1N A:NAD402 4.2 14.2 0.7 C1 A:EDO403 4.3 22.9 1.0 OE2 A:GLU114 4.3 23.8 1.0 C2N A:NAD402 4.4 14.8 0.7 O A:HOH555 4.4 25.8 1.0 CD1 A:TYR73 4.5 19.4 1.0 CA A:SER112 4.5 9.4 1.0 O1 A:EDO403 4.5 21.8 1.0 CD A:GLU114 4.6 21.1 1.0 O A:VAL170 4.6 10.7 1.0 CD2 A:TYR142 4.7 10.3 1.0 O3B A:UDP401 4.8 15.0 1.0 C7N A:NAD402 4.8 17.8 1.0 CB A:GLU114 4.9 13.9 1.0 CZ A:TYR73 5.0 23.9 1.0 O A:PRO169 5.0 11.8 1.0 N7N A:NAD402 5.0 16.5 1.0 N A:ALA113 5.0 9.8 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 B:Cl410 b:31.6 occ:1.00 C5N B:NAD402 2.5 16.8 0.7 C4N B:NAD402 2.8 16.9 0.7 OG B:SER112 2.9 9.5 1.0 OH B:TYR142 3.1 10.3 1.0 O B:HOH546 3.2 8.1 1.0 C6N B:NAD402 3.3 15.9 0.7 CE2 B:TYR142 3.3 10.6 1.0 CZ B:TYR142 3.7 10.3 1.0 C3N B:NAD402 3.8 16.8 0.7 CB B:SER112 3.8 9.0 1.0 CE1 B:TYR73 3.8 20.7 1.0 CG B:GLU114 4.0 16.2 1.0 N1N B:NAD402 4.1 15.1 0.7 O B:HOH517 4.2 19.9 1.0 O B:HOH615 4.2 23.6 1.0 C2N B:NAD402 4.3 16.1 0.7 CD1 B:TYR73 4.3 17.7 1.0 OE2 B:GLU114 4.5 23.9 1.0 CD2 B:TYR142 4.6 10.5 1.0 O B:VAL170 4.7 10.4 1.0 CA B:SER112 4.7 9.3 1.0 CD B:GLU114 4.7 21.4 1.0 C7N B:NAD402 4.7 17.8 1.0 CB B:GLU114 4.8 12.6 1.0 CZ B:TYR73 4.9 22.5 1.0 OH B:TYR73 5.0 26.8 1.0 O7N B:NAD402 5.0 17.0 1.0 O2B B:UDP401 5.0 13.5 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.