Chlorine in PDB 6cek: Crystal Structure of the D141N Variant of Catalase-Peroxidase From B. Pseudomallei

All present enzymatic activity of Crystal Structure of the D141N Variant of Catalase-Peroxidase From B. Pseudomallei:
1.11.1.21;

The structure of Crystal Structure of the D141N Variant of Catalase-Peroxidase From B. Pseudomallei, PDB code: 6cek was solved by P.C.Loewen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	95.02 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	100.896, 113.257, 174.598, 90.00, 90.00, 90.00
R / Rfree (%)	14.7 / 17.3

The structure of Crystal Structure of the D141N Variant of Catalase-Peroxidase From B. Pseudomallei also contains other interesting chemical elements:

Iron	(Fe)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the D141N Variant of Catalase-Peroxidase From B. Pseudomallei (pdb code 6cek). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the D141N Variant of Catalase-Peroxidase From B. Pseudomallei, PDB code: 6cek:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the D141N Variant of Catalase-Peroxidase From B. Pseudomallei


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the D141N Variant of Catalase-Peroxidase From B. Pseudomallei within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:37.4 occ:1.00 O A:HOH1498 3.0 20.7 1.0 O A:HOH1649 3.0 19.7 1.0 O A:HOH1563 3.2 22.2 1.0 N A:GLY124 3.3 16.9 1.0 CB A:GLU198 3.5 44.3 1.0 CG2 A:VAL200 3.5 28.0 1.0 CG A:GLU198 3.5 49.6 1.0 CA A:GLY124 3.9 17.1 1.0 CB A:ARG123 4.3 18.3 1.0 C A:ARG123 4.4 18.6 1.0 CA A:ARG123 4.4 15.3 1.0 CD A:GLU198 4.5 56.3 1.0 OE1 A:GLU128 4.5 27.2 1.0 O A:HOH1156 4.5 40.9 1.0 NA A:NA802 4.7 16.2 1.0 C A:GLY124 4.7 17.0 1.0 O A:HOH1418 4.7 23.4 1.0 O A:GLY124 4.8 16.3 1.0 CG A:GLN130 4.8 19.0 1.0 CG A:ARG123 4.8 18.0 1.0 OE2 A:GLU198 4.9 45.2 1.0 CB A:VAL200 5.0 28.8 1.0 CD A:GLU128 5.0 29.5 1.0 CA A:GLU198 5.0 35.4 1.0 OE2 A:GLU128 5.0 37.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the D141N Variant of Catalase-Peroxidase From B. Pseudomallei


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the D141N Variant of Catalase-Peroxidase From B. Pseudomallei within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl803 b:34.4 occ:1.00 O B:HOH1493 3.0 20.1 1.0 O B:HOH1624 3.1 14.9 1.0 O B:HOH1539 3.1 20.7 1.0 N B:GLY124 3.3 14.1 1.0 CB B:GLU198 3.5 31.0 1.0 CG B:GLU198 3.5 40.8 1.0 CG2 B:VAL200 3.6 24.4 1.0 CA B:GLY124 3.9 15.2 1.0 O B:HOH1492 4.2 42.0 1.0 CB B:ARG123 4.3 13.7 1.0 C B:ARG123 4.3 15.3 1.0 CA B:ARG123 4.4 13.1 1.0 OE1 B:GLU128 4.4 25.5 1.0 O B:HOH1435 4.4 37.0 1.0 CD B:GLU198 4.4 50.0 1.0 C B:GLY124 4.6 14.1 1.0 NA B:NA802 4.7 16.1 1.0 O B:GLY124 4.7 18.1 1.0 CG B:GLN130 4.8 17.9 1.0 O B:HOH1270 4.8 17.9 1.0 CG B:ARG123 4.8 15.8 1.0 CD B:GLU128 4.9 24.7 1.0 CA B:GLU198 5.0 27.7 1.0 OE2 B:GLU198 5.0 40.5 1.0

P.C.Loewen, P.C.Loewen. N/A N/A.