Chlorine in PDB 4b7f: Structure of A Liganded Bacterial Catalase

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

The structure of Structure of A Liganded Bacterial Catalase, PDB code: 4b7f 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)	100.580 / 1.76
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	151.510, 151.510, 156.620, 90.00, 90.00, 120.00
R / Rfree (%)	15.79 / 19.42

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

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the Structure of A Liganded Bacterial Catalase (pdb code 4b7f). 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 Liganded Bacterial Catalase, PDB code: 4b7f:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of A 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 Liganded Bacterial Catalase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1517 b:15.8 occ:1.00 NH2 A:ARG62 3.3 11.1 1.0 O A:HOH2055 3.3 19.3 1.0 NH2 D:ARG62 3.3 12.8 1.0 O C:HOH2177 3.5 19.3 1.0 NE D:ARG62 3.5 10.4 1.0 NE A:ARG62 3.6 11.5 1.0 CB B:TYR359 3.8 9.7 1.0 CZ D:ARG62 3.9 10.8 1.0 CZ A:ARG62 3.9 10.1 1.0 CB C:TYR359 3.9 9.8 1.0 CA B:TYR359 4.0 10.6 1.0 CA C:TYR359 4.0 10.3 1.0 N C:TYR359 4.3 9.4 1.0 N B:TYR359 4.3 9.7 1.0 CD1 B:TYR359 4.4 12.1 1.0 O C:ARG358 4.5 11.1 1.0 C C:ARG358 4.5 12.7 1.0 CG B:TYR359 4.6 8.9 1.0 O B:ARG358 4.6 9.6 1.0 C B:ARG358 4.6 10.1 1.0 CD1 C:TYR359 4.6 8.7 1.0 CD D:ARG62 4.7 14.3 1.0 CD A:ARG62 4.8 12.2 1.0 CG C:TYR359 4.8 7.0 1.0 CB C:ARG358 4.9 9.7 1.0

Chlorine binding site 2 out of 2 in the Structure of A 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 Liganded Bacterial Catalase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1518 b:16.4 occ:1.00 O A:HOH2111 3.1 30.4 1.0 NH2 B:ARG62 3.3 10.2 1.0 NH2 C:ARG62 3.3 9.3 1.0 NE B:ARG62 3.5 9.3 1.0 NE C:ARG62 3.5 9.8 1.0 O A:HOH2239 3.6 16.5 1.0 O C:HOH2039 3.6 17.6 1.0 CZ B:ARG62 3.8 13.0 1.0 CB D:TYR359 3.9 9.3 1.0 CZ C:ARG62 3.9 11.2 1.0 CB A:TYR359 4.0 8.2 1.0 CA A:TYR359 4.0 8.8 1.0 CA D:TYR359 4.1 10.7 1.0 N A:TYR359 4.3 7.2 1.0 N D:TYR359 4.3 8.2 1.0 CD1 D:TYR359 4.5 10.1 1.0 C A:ARG358 4.5 11.6 1.0 O A:ARG358 4.5 11.0 1.0 O D:ARG358 4.5 10.1 1.0 C D:ARG358 4.5 12.9 1.0 CD1 A:TYR359 4.6 8.8 1.0 CG D:TYR359 4.7 8.1 1.0 CD B:ARG62 4.7 8.6 1.0 CD C:ARG62 4.7 8.1 1.0 CG A:TYR359 4.8 10.6 1.0 CB A:ARG358 4.9 8.2 1.0 O A:HOH2244 4.9 30.9 1.0 CB D:ARG358 5.0 7.8 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