Chlorine in PDB 5ksn: Crystal Structure of the S324G Variant of Catalase-Peroxidase From B. Pseudomallei with Inh Bound

All present enzymatic activity of Crystal Structure of the S324G Variant of Catalase-Peroxidase From B. Pseudomallei with Inh Bound:
1.11.1.21;

The structure of Crystal Structure of the S324G Variant of Catalase-Peroxidase From B. Pseudomallei with Inh Bound, PDB code: 5ksn 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)	48.05 / 1.87
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	100.434, 115.277, 174.118, 90.00, 90.00, 90.00
R / Rfree (%)	14.2 / 17.1

The structure of Crystal Structure of the S324G Variant of Catalase-Peroxidase From B. Pseudomallei with Inh Bound 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 S324G Variant of Catalase-Peroxidase From B. Pseudomallei with Inh Bound (pdb code 5ksn). 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 S324G Variant of Catalase-Peroxidase From B. Pseudomallei with Inh Bound, PDB code: 5ksn:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the S324G Variant of Catalase-Peroxidase From B. Pseudomallei with Inh Bound


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 S324G Variant of Catalase-Peroxidase From B. Pseudomallei with Inh Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:25.9 occ:1.00 O A:HOH1468 3.0 16.7 1.0 O A:HOH1623 3.0 15.2 1.0 O A:HOH1557 3.1 17.2 1.0 N A:GLY124 3.3 13.6 1.0 CG2 A:VAL200 3.5 21.4 1.0 N3 A:NIZ809 3.5 17.1 0.5 CG A:GLU198 3.6 30.0 1.0 CB A:GLU198 3.7 27.1 1.0 N2 A:NIZ809 3.9 19.5 0.5 CA A:GLY124 4.0 14.9 1.0 CB A:ARG123 4.2 14.9 1.0 C A:ARG123 4.3 13.9 1.0 CA A:ARG123 4.3 13.8 1.0 CD A:GLU198 4.4 29.6 1.0 NA A:NA802 4.5 15.3 1.0 O A:GLY124 4.7 14.8 1.0 OE1 A:GLU128 4.7 21.9 1.0 CG A:ARG123 4.7 15.0 1.0 C A:GLY124 4.7 13.8 1.0 OE2 A:GLU128 4.8 24.4 1.0 O A:HOH1139 4.8 18.4 1.0 OE2 A:GLU198 4.8 31.2 1.0 CD A:GLU128 4.9 21.7 1.0 CB A:VAL200 4.9 21.6 1.0 CG A:GLN130 4.9 14.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the S324G Variant of Catalase-Peroxidase From B. Pseudomallei with Inh Bound


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 S324G Variant of Catalase-Peroxidase From B. Pseudomallei with Inh Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl803 b:23.4 occ:1.00 O B:HOH1665 3.1 11.8 1.0 O B:HOH1468 3.1 14.3 1.0 O B:HOH1599 3.2 15.4 1.0 N B:GLY124 3.3 13.3 1.0 N3 B:NIZ809 3.5 25.2 0.8 CG2 B:VAL200 3.5 20.3 1.0 CG B:GLU198 3.6 26.9 1.0 CB B:GLU198 3.7 24.1 1.0 N2 B:NIZ809 3.8 27.7 0.8 CA B:GLY124 4.0 12.7 1.0 CB B:ARG123 4.2 12.9 1.0 CA B:ARG123 4.3 13.2 1.0 C B:ARG123 4.3 13.6 1.0 CD B:GLU198 4.3 29.3 1.0 OE1 B:GLU128 4.5 21.2 1.0 NA B:NA802 4.6 14.9 1.0 OE2 B:GLU128 4.7 24.1 1.0 CG B:ARG123 4.7 12.6 1.0 OE2 B:GLU198 4.7 30.9 1.0 O B:GLY124 4.7 13.3 1.0 C B:GLY124 4.8 12.0 1.0 CD B:GLU128 4.8 20.7 1.0 O B:HOH1146 4.8 16.6 1.0 CG B:GLN130 4.9 13.6 1.0 CB B:VAL200 5.0 19.7 1.0 C B:NIZ809 5.0 29.0 0.8

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