Chlorine in PDB 6b9b: Crystal Structure of the Catalase-Peroxidase From B. Pseudomallei with Maltose Bound

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

The structure of Crystal Structure of the Catalase-Peroxidase From B. Pseudomallei with Maltose Bound, PDB code: 6b9b 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)	50.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	100.419, 115.088, 174.975, 90.00, 90.00, 90.00
R / Rfree (%)	13.5 / 16.2

The structure of Crystal Structure of the Catalase-Peroxidase From B. Pseudomallei with Maltose 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 Catalase-Peroxidase From B. Pseudomallei with Maltose Bound (pdb code 6b9b). 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 Catalase-Peroxidase From B. Pseudomallei with Maltose Bound, PDB code: 6b9b:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Catalase-Peroxidase From B. Pseudomallei with Maltose 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 Catalase-Peroxidase From B. Pseudomallei with Maltose Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:36.2 occ:1.00 O A:HOH1450 3.0 20.3 1.0 O A:HOH1563 3.0 19.2 1.0 O A:HOH1488 3.1 21.1 1.0 N A:GLY124 3.4 17.0 1.0 CB A:GLU198 3.4 34.9 1.0 CG A:GLU198 3.4 41.5 1.0 CG2 A:VAL200 3.4 26.2 1.0 O A:HOH1452 3.8 35.5 1.0 CA A:GLY124 4.0 18.4 1.0 CB A:ARG123 4.3 18.9 1.0 O A:HOH1145 4.4 43.5 1.0 C A:ARG123 4.4 17.5 1.0 CA A:ARG123 4.4 18.5 1.0 OE1 A:GLU128 4.5 28.7 1.0 CD A:GLU198 4.5 48.5 1.0 NA A:NA802 4.6 19.3 1.0 O A:GLY124 4.7 17.2 1.0 C A:GLY124 4.7 18.3 1.0 CG A:ARG123 4.8 18.6 1.0 O A:HOH1150 4.8 20.8 1.0 CG A:GLN130 4.8 17.9 1.0 CB A:VAL200 4.9 24.4 1.0 CD A:GLU128 4.9 29.0 1.0 CA A:GLU198 4.9 27.6 1.0 OE2 A:GLU128 5.0 31.2 1.0 O A:HOH1044 5.0 16.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Catalase-Peroxidase From B. Pseudomallei with Maltose 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 Catalase-Peroxidase From B. Pseudomallei with Maltose Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl803 b:38.2 occ:1.00 O B:HOH1594 3.0 17.0 1.0 O B:HOH1474 3.1 24.2 1.0 O B:HOH1518 3.1 20.1 1.0 N B:GLY124 3.3 18.9 1.0 CB B:GLU198 3.4 33.5 1.0 CG2 B:VAL200 3.4 22.5 1.0 CG B:GLU198 3.4 44.4 1.0 O B:HOH1505 3.7 35.3 1.0 CA B:GLY124 4.0 17.0 1.0 C B:ARG123 4.3 16.4 1.0 CB B:ARG123 4.3 16.2 1.0 OE1 B:GLU128 4.4 30.2 1.0 CA B:ARG123 4.4 17.2 1.0 O B:HOH1365 4.4 41.2 1.0 CD B:GLU198 4.5 49.5 1.0 NA B:NA802 4.7 19.6 1.0 CG B:GLN130 4.8 18.3 1.0 O B:GLY124 4.8 17.2 1.0 C B:GLY124 4.8 18.0 1.0 O B:HOH1251 4.8 19.2 1.0 CD B:GLU128 4.8 27.6 1.0 OE2 B:GLU128 4.8 31.4 1.0 CG B:ARG123 4.8 17.8 1.0 CB B:VAL200 4.9 22.1 1.0 CA B:GLU198 4.9 25.1 1.0

P.C.Loewen, P.M.De Silva, L.J.Donald, J.Switala, J.Villanueva, I.Fita, A.Kumar. Katg-Mediated Oxidation Leading to Reduced Susceptibility of Bacteria to Kanamycin. Acs Omega V. 3 4213 2018.
ISSN: ESSN 2470-1343
PubMed: 29732452
DOI: 10.1021/ACSOMEGA.8B00356