Chlorine in PDB 4b7h: Structure of A Highdose Liganded Bacterial Catalase

All present enzymatic activity of Structure of A Highdose Liganded Bacterial Catalase:
1.11.1.6;

The structure of Structure of A Highdose Liganded Bacterial Catalase, PDB code: 4b7h was solved by A.Gumiero, M.Walsh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.334 / 1.39
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	151.600, 151.600, 156.870, 90.00, 90.00, 120.00
R / Rfree (%)	13.02 / 15.71

The structure of Structure of A Highdose Liganded Bacterial Catalase also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the Structure of A Highdose Liganded Bacterial Catalase (pdb code 4b7h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of A Highdose Liganded Bacterial Catalase, PDB code: 4b7h:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of A Highdose Liganded Bacterial Catalase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Highdose Liganded Bacterial Catalase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1519 b:14.5 occ:1.00 NH2 A:ARG62 3.3 8.4 1.0 NH2 D:ARG62 3.3 9.5 1.0 NE D:ARG62 3.5 8.7 1.0 NE A:ARG62 3.5 8.3 1.0 O A:HOH2072 3.6 17.1 1.0 O C:HOH2252 3.6 17.4 1.0 CZ A:ARG62 3.8 8.2 1.0 CZ D:ARG62 3.8 8.1 1.0 CB B:TYR359 3.9 8.4 1.0 CB C:TYR359 3.9 8.4 1.0 CA B:TYR359 4.0 8.2 1.0 CA C:TYR359 4.1 7.8 1.0 N C:TYR359 4.3 7.3 1.0 N B:TYR359 4.3 7.6 1.0 C C:ARG358 4.5 7.8 1.0 CD1 B:TYR359 4.5 8.4 1.0 O C:ARG358 4.5 9.0 1.0 C B:ARG358 4.5 7.6 1.0 O B:ARG358 4.6 9.0 1.0 CD1 C:TYR359 4.6 7.8 1.0 CD D:ARG62 4.7 8.9 1.0 CG B:TYR359 4.7 7.4 1.0 CD A:ARG62 4.7 9.0 1.0 CG C:TYR359 4.8 6.9 1.0 CB C:ARG358 4.9 7.7 1.0 CB B:ARG358 5.0 7.8 1.0

Chlorine binding site 2 out of 2 in the Structure of A Highdose Liganded Bacterial Catalase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Highdose Liganded Bacterial Catalase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1519 b:14.1 occ:1.00 NH2 C:ARG62 3.3 8.5 1.0 NH2 B:ARG62 3.3 8.6 1.0 O A:HOH2158 3.3 35.0 1.0 NE B:ARG62 3.5 8.3 1.0 NE C:ARG62 3.5 7.9 1.0 O C:HOH2055 3.7 17.2 1.0 O A:HOH2357 3.7 16.4 1.0 CZ C:ARG62 3.8 7.9 1.0 CZ B:ARG62 3.9 7.5 1.0 CB D:TYR359 3.9 8.3 1.0 CB A:TYR359 3.9 7.5 1.0 CA A:TYR359 4.0 7.5 1.0 CA D:TYR359 4.1 7.7 1.0 N A:TYR359 4.2 7.2 1.0 N D:TYR359 4.3 7.2 1.0 C A:ARG358 4.5 7.5 1.0 CD1 D:TYR359 4.5 8.7 1.0 O A:ARG358 4.5 8.2 1.0 C D:ARG358 4.6 7.0 1.0 CD1 A:TYR359 4.6 8.1 1.0 O D:ARG358 4.6 7.9 1.0 CD B:ARG62 4.7 8.4 1.0 CD C:ARG62 4.7 8.7 1.0 CG D:TYR359 4.7 8.1 1.0 CG A:TYR359 4.7 7.6 1.0 CB A:ARG358 4.9 7.3 1.0 CB D:ARG358 5.0 7.6 1.0

M.Candelaresi, A.Gumiero, K.Adamczyk, K.Robb, C.Bellota-Anton, V.Sangal, J.Munnoch, G.M.Greetham, M.Towrie, P.A.Hoskisson, A.W.Parker, N.P.Tucker, M.A.Walsh, N.T.Hunt. A Structural and Dynamic Investigation of the Inhibition of Catalase By Nitric Oxide. Org.Biomol.Chem. V. 11 7778 2013.
ISSN: ISSN 1477-0520
PubMed: 24121528
DOI: 10.1039/C3OB41977K