Chlorine in PDB 6cfq: Crystal Structure of the D141N Variant of Catalase-Peroxidase From B. Pseudomallei with Inh Bound

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

The structure of Crystal Structure of the D141N Variant of Catalase-Peroxidase From B. Pseudomallei with Inh Bound, PDB code: 6cfq 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)	96.32 / 1.72
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	100.641, 115.506, 174.546, 90.00, 90.00, 90.00
R / Rfree (%)	14.1 / 17

The structure of Crystal Structure of the D141N 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 D141N Variant of Catalase-Peroxidase From B. Pseudomallei with Inh Bound (pdb code 6cfq). 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 with Inh Bound, PDB code: 6cfq:
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 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 D141N Variant of Catalase-Peroxidase From B. Pseudomallei with Inh Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:34.3 occ:1.00 O A:HOH1495 2.9 20.1 1.0 O A:HOH1650 3.0 19.7 1.0 O A:HOH1555 3.2 22.1 1.0 N A:GLY124 3.4 16.8 1.0 CG2 A:VAL200 3.5 28.6 1.0 CG A:GLU198 3.5 46.0 1.0 CB A:GLU198 3.6 37.0 1.0 O A:HOH1524 3.7 35.9 1.0 CA A:GLY124 4.0 16.6 1.0 CB A:ARG123 4.3 17.4 1.0 C A:ARG123 4.4 16.4 1.0 CA A:ARG123 4.4 15.7 1.0 CD A:GLU198 4.5 46.9 1.0 OE1 A:GLU128 4.6 24.1 1.0 NA A:NA802 4.6 17.6 1.0 O A:GLY124 4.7 17.4 1.0 C A:GLY124 4.7 16.7 1.0 OE2 A:GLU128 4.8 28.2 1.0 O A:HOH1236 4.8 21.4 1.0 CG A:ARG123 4.8 18.3 1.0 CB A:VAL200 4.9 26.7 1.0 CD A:GLU128 4.9 26.9 1.0 OE2 A:GLU198 4.9 44.7 1.0 CG A:GLN130 4.9 17.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the D141N 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 D141N Variant of Catalase-Peroxidase From B. Pseudomallei with Inh Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl803 b:30.2 occ:1.00 O B:HOH1628 3.1 16.7 1.0 O B:HOH1486 3.1 21.6 1.0 O B:HOH1549 3.1 20.3 1.0 N B:GLY124 3.3 16.5 1.0 CG2 B:VAL200 3.5 22.8 1.0 CG B:GLU198 3.6 36.2 1.0 CB B:GLU198 3.6 30.0 1.0 N3 B:NIZ809 3.7 28.9 0.8 N2 B:NIZ809 4.0 34.6 0.8 CA B:GLY124 4.0 15.5 1.0 CB B:ARG123 4.2 16.4 1.0 C B:ARG123 4.3 16.3 1.0 CA B:ARG123 4.3 15.1 1.0 CD B:GLU198 4.4 40.9 1.0 OE1 B:GLU128 4.4 27.2 1.0 OE2 B:GLU128 4.6 28.1 1.0 NA B:NA802 4.6 17.6 1.0 O B:GLY124 4.7 17.0 1.0 C B:GLY124 4.7 16.8 1.0 OE2 B:GLU198 4.7 38.5 1.0 O B:HOH1250 4.8 18.9 1.0 CG B:ARG123 4.8 17.4 1.0 CD B:GLU128 4.8 27.1 1.0 CG B:GLN130 4.9 17.3 1.0 CB B:VAL200 4.9 21.0 1.0

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