Chlorine in PDB 5ksg: Crystal Structure of the W153F Variant of Catalase-Peroxidase From B. Pseudomallei Treated with Isoniazid

All present enzymatic activity of Crystal Structure of the W153F Variant of Catalase-Peroxidase From B. Pseudomallei Treated with Isoniazid:
1.11.1.21;

The structure of Crystal Structure of the W153F Variant of Catalase-Peroxidase From B. Pseudomallei Treated with Isoniazid, PDB code: 5ksg 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)	96.54 / 1.62
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	100.665, 115.928, 174.349, 90.00, 90.00, 90.00
R / Rfree (%)	13.5 / 15.9

The structure of Crystal Structure of the W153F Variant of Catalase-Peroxidase From B. Pseudomallei Treated with Isoniazid 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 W153F Variant of Catalase-Peroxidase From B. Pseudomallei Treated with Isoniazid (pdb code 5ksg). 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 W153F Variant of Catalase-Peroxidase From B. Pseudomallei Treated with Isoniazid, PDB code: 5ksg:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the W153F Variant of Catalase-Peroxidase From B. Pseudomallei Treated with Isoniazid


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 W153F Variant of Catalase-Peroxidase From B. Pseudomallei Treated with Isoniazid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:29.3 occ:1.00 O A:HOH1532 2.9 18.8 1.0 O A:HOH1673 3.0 16.2 1.0 O A:HOH1595 3.1 18.9 1.0 N A:GLY124 3.3 13.1 1.0 CG2 A:VAL200 3.6 19.6 1.0 CB A:GLU198 3.6 30.9 1.0 CG A:GLU198 3.6 34.4 1.0 O A:HOH1554 3.8 33.1 1.0 CA A:GLY124 4.0 13.6 1.0 CB A:ARG123 4.2 14.7 1.0 C A:ARG123 4.3 12.5 1.0 CA A:ARG123 4.3 12.5 1.0 CD A:GLU198 4.4 45.4 1.0 OE1 A:GLU128 4.5 26.6 1.0 NA A:NA802 4.6 14.5 1.0 C A:GLY124 4.7 14.1 1.0 O A:GLY124 4.7 13.5 1.0 OE2 A:GLU128 4.7 28.6 1.0 OE2 A:GLU198 4.7 43.3 1.0 CG A:ARG123 4.8 15.3 1.0 O A:HOH1215 4.8 17.0 1.0 CD A:GLU128 4.9 26.7 1.0 CB A:VAL200 4.9 17.3 1.0 CG A:GLN130 4.9 13.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the W153F Variant of Catalase-Peroxidase From B. Pseudomallei Treated with Isoniazid


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 W153F Variant of Catalase-Peroxidase From B. Pseudomallei Treated with Isoniazid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl803 b:26.4 occ:1.00 O B:HOH1681 3.1 13.4 1.0 O B:HOH1529 3.1 18.7 1.0 O B:HOH1600 3.2 17.2 1.0 N B:GLY124 3.2 13.8 1.0 CG2 B:VAL200 3.6 17.9 1.0 CG B:GLU198 3.6 33.4 1.0 CB B:GLU198 3.7 25.1 1.0 N3 B:NIZ809 3.8 32.5 1.0 N2 B:NIZ809 3.9 34.4 1.0 CA B:GLY124 3.9 12.9 1.0 CB B:ARG123 4.2 13.2 1.0 C B:ARG123 4.3 12.8 1.0 CA B:ARG123 4.3 12.7 1.0 OE1 B:GLU128 4.4 26.4 1.0 CD B:GLU198 4.5 39.1 1.0 OE2 B:GLU128 4.6 27.8 1.0 NA B:NA802 4.6 14.9 1.0 C B:GLY124 4.6 13.9 1.0 OE2 B:GLU198 4.7 40.4 1.0 O B:GLY124 4.7 13.7 1.0 CG B:ARG123 4.7 13.7 1.0 CD B:GLU128 4.8 23.7 1.0 O B:HOH1246 4.8 16.8 1.0 CG B:GLN130 4.9 14.1 1.0 CB B:VAL200 5.0 16.1 1.0

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