Chlorine in PDB 2isa: Crystal Structure of Vibrio Salmonicida Catalase

All present enzymatic activity of Crystal Structure of Vibrio Salmonicida Catalase:
1.11.1.6;

The structure of Crystal Structure of Vibrio Salmonicida Catalase, PDB code: 2isa was solved by E.K.Riise, M.S.Lorentzen, R.Helland, A.O.Smalas, H.K.S.Leiros, N.P.Willassen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.97
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	98.150, 217.760, 99.280, 90.00, 110.48, 90.00
R / Rfree (%)	14.8 / 20

The structure of Crystal Structure of Vibrio Salmonicida Catalase also contains other interesting chemical elements:

Iron

(Fe)

8 atoms

The binding sites of Chlorine atom in the Crystal Structure of Vibrio Salmonicida Catalase (pdb code 2isa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Vibrio Salmonicida Catalase, PDB code: 2isa:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Vibrio Salmonicida 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 Vibrio Salmonicida Catalase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl6485 b:13.2 occ:1.00 O D:HOH6087 3.2 36.8 1.0 NH2 B:ARG45 3.3 7.1 1.0 NH2 C:ARG45 3.3 5.2 1.0 NE C:ARG45 3.4 4.3 1.0 NE B:ARG45 3.5 5.0 1.0 O A:HOH6003 3.7 32.4 1.0 CZ C:ARG45 3.8 5.3 1.0 O A:HOH5605 3.8 10.1 1.0 CZ B:ARG45 3.9 5.9 1.0 O D:HOH5662 3.9 8.2 1.0 CA A:TYR343 4.0 6.0 1.0 CB A:TYR343 4.1 6.0 1.0 CA D:TYR343 4.2 6.6 1.0 CB D:TYR343 4.2 5.8 1.0 N A:TYR343 4.2 6.0 1.0 CD1 A:TYR343 4.3 6.5 1.0 CD1 D:TYR343 4.3 6.0 1.0 N D:TYR343 4.5 6.2 1.0 CD C:ARG45 4.6 4.9 1.0 C A:ARG342 4.7 6.0 1.0 CG A:TYR343 4.7 4.4 1.0 CD B:ARG45 4.7 4.9 1.0 CG D:TYR343 4.8 6.8 1.0 O A:ARG342 4.8 6.5 1.0 C D:ARG342 5.0 6.8 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Vibrio Salmonicida 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 Vibrio Salmonicida Catalase within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl5485 b:14.7 occ:1.00 O C:HOH5885 3.2 28.7 1.0 NE D:ARG45 3.3 9.3 1.0 NH2 D:ARG45 3.3 6.3 1.0 NH2 A:ARG45 3.4 6.7 1.0 O B:HOH6927 3.4 27.9 1.0 NE A:ARG45 3.5 5.6 1.0 CZ D:ARG45 3.8 6.5 1.0 O B:HOH6556 3.8 10.3 1.0 O C:HOH5605 3.9 11.7 1.0 CZ A:ARG45 3.9 6.2 1.0 CA B:TYR343 4.1 5.8 1.0 CB B:TYR343 4.1 6.2 1.0 CB C:TYR343 4.2 5.3 1.0 CA C:TYR343 4.2 5.7 1.0 CD1 B:TYR343 4.3 7.2 1.0 N B:TYR343 4.3 5.8 1.0 CD1 C:TYR343 4.4 5.8 1.0 N C:TYR343 4.5 5.6 1.0 CD D:ARG45 4.5 6.2 1.0 CD A:ARG45 4.7 6.9 1.0 CG B:TYR343 4.7 6.8 1.0 C B:ARG342 4.8 6.0 1.0 CG C:TYR343 4.8 5.6 1.0 O B:ARG342 4.9 6.1 1.0 C C:ARG342 4.9 6.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Vibrio Salmonicida Catalase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Vibrio Salmonicida Catalase within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl8485 b:16.4 occ:1.00 O H:HOH7859 3.0 29.9 1.0 NH2 F:ARG45 3.3 9.6 1.0 NH2 G:ARG45 3.4 10.9 1.0 NE G:ARG45 3.5 9.1 1.0 NE F:ARG45 3.5 10.3 1.0 CZ F:ARG45 3.9 10.2 1.0 CZ G:ARG45 3.9 11.0 1.0 O E:HOH5725 3.9 15.0 1.0 O H:HOH7680 3.9 11.0 1.0 CB H:TYR343 4.1 7.3 1.0 CA H:TYR343 4.1 7.5 1.0 CA E:TYR343 4.1 7.0 1.0 CB E:TYR343 4.2 7.5 1.0 CD1 H:TYR343 4.3 8.3 1.0 N H:TYR343 4.3 8.0 1.0 CD1 E:TYR343 4.4 9.1 1.0 N E:TYR343 4.4 7.0 1.0 CD G:ARG45 4.6 8.1 1.0 CD F:ARG45 4.7 9.6 1.0 CG H:TYR343 4.7 7.9 1.0 CG E:TYR343 4.8 7.8 1.0 C H:ARG342 4.8 8.8 1.0 C E:ARG342 4.9 7.2 1.0 O H:ARG342 4.9 8.8 1.0 O E:ARG342 5.0 7.2 1.0 O H:HOH7870 5.0 26.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Vibrio Salmonicida Catalase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Vibrio Salmonicida Catalase within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl7485 b:17.5 occ:1.00 NH2 E:ARG45 3.2 7.0 1.0 NH2 H:ARG45 3.3 7.0 1.0 NE H:ARG45 3.4 12.0 1.0 NE E:ARG45 3.5 8.3 1.0 O F:HOH8603 3.7 16.7 1.0 CZ H:ARG45 3.8 10.1 1.0 CZ E:ARG45 3.9 9.1 1.0 O G:HOH5697 3.9 16.4 1.0 CB G:TYR343 4.0 9.0 1.0 CA F:TYR343 4.1 10.1 1.0 CB F:TYR343 4.1 9.9 1.0 CA G:TYR343 4.1 8.6 1.0 CD1 G:TYR343 4.3 9.2 1.0 CD1 F:TYR343 4.4 10.1 1.0 N F:TYR343 4.4 10.4 1.0 N G:TYR343 4.5 7.8 1.0 CD H:ARG45 4.6 9.4 1.0 CG G:TYR343 4.6 8.9 1.0 CG F:TYR343 4.8 10.1 1.0 C F:ARG342 4.8 10.9 1.0 CD E:ARG45 4.8 9.0 1.0 O F:ARG342 4.8 11.7 1.0 O G:HOH5940 4.9 33.0 1.0 C G:ARG342 4.9 8.6 1.0

E.K.Riise, M.S.Lorentzen, R.Helland, A.O.Smalas, H.K.S.Leiros, N.P.Willassen. The First Structure of A Cold-Active Catalase From Vibrio Salmonicida at 1.96A Reveals Structural Aspects of Cold Adaptation Acta Crystallogr.,Sect.D V. 63 135 2007.
ISSN: ISSN 0907-4449
PubMed: 17242507
DOI: 10.1107/S0907444906043812