Chlorine in PDB 1si8: Crystal Structure of E. Faecalis Catalase

All present enzymatic activity of Crystal Structure of E. Faecalis Catalase:
1.11.1.6;

The structure of Crystal Structure of E. Faecalis Catalase, PDB code: 1si8 was solved by K.O.Hakansson, M.Brugna, L.Tasse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.30
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	236.860, 236.860, 198.070, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 21.8

The structure of Crystal Structure of E. Faecalis Catalase also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of E. Faecalis Catalase (pdb code 1si8). 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 E. Faecalis Catalase, PDB code: 1si8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of E. Faecalis Catalase


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 E. Faecalis Catalase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2009 b:25.0 occ:1.00 O D:HOH2114 3.0 35.8 1.0 O D:HOH2187 3.2 29.7 1.0 NH2 A:ARG45 3.2 15.8 1.0 NH2 B:ARG45 3.3 18.9 1.0 NE A:ARG45 3.4 15.6 1.0 NE B:ARG45 3.5 17.3 1.0 CZ A:ARG45 3.8 16.9 1.0 CZ B:ARG45 3.8 17.1 1.0 CA D:HIS343 4.0 18.3 1.0 CA C:HIS343 4.1 18.5 1.0 CB D:HIS343 4.1 17.9 1.0 O C:ARG342 4.2 21.8 1.0 N D:HIS343 4.3 18.1 1.0 N C:HIS343 4.3 17.8 1.0 CB C:HIS343 4.3 18.9 1.0 C C:ARG342 4.3 19.2 1.0 O D:ARG342 4.3 20.4 1.0 C D:ARG342 4.4 19.6 1.0 CD A:ARG45 4.6 14.9 1.0 CD B:ARG45 4.7 16.3 1.0 ND1 D:HIS343 4.7 20.6 1.0 ND1 C:HIS343 4.8 21.4 1.0 CB C:ARG342 4.8 19.0 1.0 O D:HOH2272 4.9 39.0 1.0 CG D:HIS343 4.9 18.8 1.0 O C:HOH2217 4.9 37.3 1.0 CB D:ARG342 4.9 19.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of E. Faecalis Catalase


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 E. Faecalis Catalase within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl2010 b:31.1 occ:1.00 O A:HOH2150 3.0 50.0 1.0 O B:HOH2255 3.0 38.4 1.0 NH2 D:ARG45 3.2 18.1 1.0 NH2 C:ARG45 3.3 18.4 1.0 NE D:ARG45 3.4 17.6 1.0 NE C:ARG45 3.5 18.9 1.0 CZ D:ARG45 3.7 18.7 1.0 CZ C:ARG45 3.8 18.2 1.0 CA A:HIS343 4.0 21.0 1.0 CA B:HIS343 4.1 20.8 1.0 CB A:HIS343 4.2 21.0 1.0 O A:ARG342 4.2 21.9 1.0 N A:HIS343 4.2 21.0 1.0 O B:ARG342 4.3 22.7 1.0 CB B:HIS343 4.3 20.5 1.0 N B:HIS343 4.3 21.1 1.0 C A:ARG342 4.3 21.5 1.0 C B:ARG342 4.4 21.7 1.0 CD D:ARG45 4.6 17.7 1.0 O A:HOH2189 4.7 36.8 1.0 CD C:ARG45 4.7 16.3 1.0 ND1 A:HIS343 4.7 22.2 1.0 O B:HOH2175 4.9 39.1 1.0 CB B:ARG342 4.9 23.0 1.0 ND1 B:HIS343 4.9 22.5 1.0 CB A:ARG342 4.9 22.9 1.0 CG A:HIS343 5.0 21.7 1.0

K.O.Hakansson, M.Brugna, L.Tasse. The Three-Dimensional Structure of Catalase From Enterococcus Faecalis. Acta Crystallogr.,Sect.D V. 60 1374 2004.
ISSN: ISSN 0907-4449
PubMed: 15272159
DOI: 10.1107/S0907444904012004