Chlorine in PDB 5sxx: Crystal Structure of the E198A Variant of Burkholderia Pseudomallei Catalase-Peroxidase Katg with Inh

All present enzymatic activity of Crystal Structure of the E198A Variant of Burkholderia Pseudomallei Catalase-Peroxidase Katg with Inh:
1.11.1.21;

The structure of Crystal Structure of the E198A Variant of Burkholderia Pseudomallei Catalase-Peroxidase Katg with Inh, PDB code: 5sxx 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)	20.00 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	100.570, 115.940, 174.730, 90.00, 90.00, 90.00
R / Rfree (%)	14.2 / 16.9

The structure of Crystal Structure of the E198A Variant of Burkholderia Pseudomallei Catalase-Peroxidase Katg with Inh 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 E198A Variant of Burkholderia Pseudomallei Catalase-Peroxidase Katg with Inh (pdb code 5sxx). 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 E198A Variant of Burkholderia Pseudomallei Catalase-Peroxidase Katg with Inh, PDB code: 5sxx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the E198A Variant of Burkholderia Pseudomallei Catalase-Peroxidase Katg with Inh


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 E198A Variant of Burkholderia Pseudomallei Catalase-Peroxidase Katg with Inh within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:62.0 occ:1.00 O A:HOH1533 2.7 22.0 1.0 O A:HOH1623 2.7 16.2 1.0 O A:HOH1528 2.8 24.1 1.0 N A:GLY124 3.4 13.3 1.0 CG2 A:VAL200 3.7 21.1 1.0 OE1 A:GLU128 3.8 33.3 1.0 CA A:GLY124 3.9 12.9 1.0 CB A:ALA198 4.0 24.8 1.0 O A:HOH1543 4.0 37.5 1.0 NA A:NA802 4.4 17.8 1.0 O A:GLY124 4.4 13.9 1.0 C A:GLY124 4.5 13.3 1.0 C A:ARG123 4.5 12.9 1.0 CB A:ARG123 4.6 14.2 1.0 CG A:GLN130 4.6 13.4 1.0 CA A:ARG123 4.6 14.3 1.0 O A:HOH1140 4.7 14.0 1.0 CD A:GLU128 4.7 31.6 1.0 O A:HOH992 4.7 22.6 1.0 O A:HOH1198 4.8 16.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the E198A Variant of Burkholderia Pseudomallei Catalase-Peroxidase Katg with Inh


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 E198A Variant of Burkholderia Pseudomallei Catalase-Peroxidase Katg with Inh within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl803 b:54.1 occ:1.00 O B:HOH1622 2.8 12.2 1.0 O B:HOH1520 2.8 29.7 1.0 O B:HOH1553 2.9 23.3 1.0 N B:GLY124 3.1 12.9 1.0 CG2 B:VAL200 3.6 18.1 1.0 CA B:GLY124 3.7 12.7 1.0 OE1 B:GLU128 3.9 32.4 1.0 CB B:ALA198 4.2 17.8 1.0 C B:ARG123 4.2 12.3 1.0 O B:HOH1551 4.2 44.2 1.0 NA B:NA802 4.3 19.4 1.0 CB B:ARG123 4.3 12.4 1.0 O B:GLY124 4.3 13.6 1.0 CA B:ARG123 4.3 13.2 1.0 C B:GLY124 4.4 13.8 1.0 CD B:GLU128 4.6 25.5 1.0 O B:HOH1113 4.7 13.1 1.0 O B:HOH1295 4.8 44.6 1.0 CG B:GLN130 4.8 12.9 1.0 O B:HOH1232 4.9 14.2 1.0 CG B:ARG123 5.0 13.1 1.0 O B:HOH933 5.0 24.7 1.0 CB B:VAL200 5.0 17.5 1.0

B.Wiseman, X.Carpena, M.Feliz, L.J.Donald, M.Pons, I.Fita, P.C.Loewen. Isonicotinic Acid Hydrazide Conversion to Isonicotinyl-Nad By Catalase-Peroxidases. J. Biol. Chem. V. 285 26662 2010.
ISSN: ESSN 1083-351X
PubMed: 20554537
DOI: 10.1074/JBC.M110.139428