Chlorine in PDB 5sxs: Crystal Structure of Catalase-Peroxidase Katg with Isonicotinic Acid Hydrazide and Amp Bound

All present enzymatic activity of Crystal Structure of Catalase-Peroxidase Katg with Isonicotinic Acid Hydrazide and Amp Bound:
1.11.1.21;

The structure of Crystal Structure of Catalase-Peroxidase Katg with Isonicotinic Acid Hydrazide and Amp Bound, PDB code: 5sxs 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 / 1.89
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	100.436, 114.172, 174.232, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 19.3

The structure of Crystal Structure of Catalase-Peroxidase Katg with Isonicotinic Acid Hydrazide and Amp 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 Catalase-Peroxidase Katg with Isonicotinic Acid Hydrazide and Amp Bound (pdb code 5sxs). 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 Catalase-Peroxidase Katg with Isonicotinic Acid Hydrazide and Amp Bound, PDB code: 5sxs:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Catalase-Peroxidase Katg with Isonicotinic Acid Hydrazide and Amp 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 Catalase-Peroxidase Katg with Isonicotinic Acid Hydrazide and Amp Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:25.7 occ:0.80 O A:HOH1405 2.9 21.9 1.0 O A:HOH1514 3.1 18.2 1.0 O A:HOH1459 3.2 18.2 1.0 N A:GLY124 3.4 17.6 1.0 CG2 A:VAL200 3.5 28.5 1.0 CG A:GLU198 3.5 36.6 1.0 O A:HOH1446 3.5 36.0 1.0 CB A:GLU198 3.6 33.9 1.0 CA A:GLY124 4.0 18.3 1.0 CB A:ARG123 4.2 19.9 1.0 CA A:ARG123 4.4 18.7 1.0 C A:ARG123 4.4 17.8 1.0 CD A:GLU198 4.4 38.3 1.0 OE1 A:GLU198 4.6 38.2 1.0 OE1 A:GLU128 4.6 24.3 1.0 NA A:NA802 4.6 16.7 1.0 CG A:ARG123 4.7 20.6 1.0 OE2 A:GLU128 4.7 25.0 1.0 O A:GLY124 4.8 17.8 1.0 C A:GLY124 4.8 17.5 1.0 O A:HOH1200 4.9 25.1 1.0 CD A:GLU128 4.9 23.8 1.0 CG A:GLN130 4.9 18.9 1.0 CB A:VAL200 4.9 29.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Catalase-Peroxidase Katg with Isonicotinic Acid Hydrazide and Amp 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 Catalase-Peroxidase Katg with Isonicotinic Acid Hydrazide and Amp Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl803 b:20.8 occ:0.80 O B:HOH1406 3.1 16.4 1.0 O B:HOH1571 3.1 12.1 1.0 O B:HOH1523 3.2 20.4 1.0 N B:GLY124 3.3 18.7 1.0 CG B:GLU198 3.5 31.7 1.0 CG2 B:VAL200 3.5 25.4 1.0 N3 B:NIZ806 3.6 44.1 1.0 CB B:GLU198 3.7 29.0 1.0 N2 B:NIZ806 3.7 48.5 1.0 CA B:GLY124 4.0 18.9 1.0 CB B:ARG123 4.2 17.1 1.0 CD B:GLU198 4.3 34.2 1.0 C B:ARG123 4.3 18.1 1.0 CA B:ARG123 4.4 17.0 1.0 OE1 B:GLU128 4.5 21.7 1.0 OE1 B:GLU198 4.5 36.5 1.0 OE2 B:GLU128 4.6 26.5 1.0 NA B:NA802 4.7 18.2 1.0 CD B:GLU128 4.7 21.9 1.0 O B:GLY124 4.7 18.1 1.0 CG B:ARG123 4.7 17.1 1.0 C B:GLY124 4.7 18.7 1.0 O B:HOH1284 4.8 15.9 1.0 CG B:GLN130 4.9 17.5 1.0 C B:NIZ806 4.9 46.2 1.0 CB B:VAL200 5.0 26.5 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