Chlorine in PDB 3kwc: Oxidized, Active Structure of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm

All present enzymatic activity of Oxidized, Active Structure of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm:
4.2.1.1;

The structure of Oxidized, Active Structure of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm, PDB code: 3kwc was solved by M.S.Kimber, S.E.Castel, K.L.Pena, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.88 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.900, 105.040, 196.130, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 24.7

The structure of Oxidized, Active Structure of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Chlorine atom in the Oxidized, Active Structure of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm (pdb code 3kwc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Oxidized, Active Structure of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm, PDB code: 3kwc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Oxidized, Active Structure of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Oxidized, Active Structure of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:20.7 occ:1.00 NH1 C:ARG121 3.1 23.5 1.0 NH1 A:ARG121 3.1 24.3 1.0 NH1 B:ARG121 3.1 22.2 1.0 CG A:ARG121 3.6 25.6 1.0 CG C:ARG121 3.7 25.2 1.0 CG B:ARG121 3.7 24.2 1.0 CD A:ARG121 3.9 24.4 1.0 CD B:ARG121 4.0 23.6 1.0 CD C:ARG121 4.0 24.0 1.0 CZ C:ARG121 4.2 22.6 1.0 CZ A:ARG121 4.2 22.8 1.0 CE B:MET103 4.2 30.4 1.0 CZ B:ARG121 4.3 21.8 1.0 NE A:ARG121 4.5 22.6 1.0 NE C:ARG121 4.6 23.2 1.0 NE B:ARG121 4.6 21.3 1.0 CB C:MET103 4.7 26.9 1.0 SD A:MET103 4.8 27.0 1.0 CB A:MET103 4.8 26.4 1.0 CB B:MET103 4.8 26.7 1.0 SD C:MET103 4.9 28.6 1.0 SD B:MET103 4.9 28.3 1.0 O C:MET103 4.9 26.8 1.0 O B:HOH230 4.9 17.3 1.0

Chlorine binding site 2 out of 2 in the Oxidized, Active Structure of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Oxidized, Active Structure of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl210 b:16.7 occ:1.00 O F:HOH712 2.8 23.3 1.0 NH1 F:ARG121 3.0 21.4 1.0 NH1 E:ARG121 3.2 23.2 1.0 NH1 D:ARG121 3.2 19.9 1.0 CG D:ARG121 3.6 24.4 1.0 CG F:ARG121 3.6 24.6 1.0 CG E:ARG121 3.6 25.9 1.0 CD D:ARG121 3.8 23.8 1.0 CD E:ARG121 3.8 24.2 1.0 CD F:ARG121 3.9 23.8 1.0 CZ F:ARG121 4.1 20.9 1.0 CZ E:ARG121 4.3 22.5 1.0 CZ D:ARG121 4.3 21.9 1.0 NE F:ARG121 4.5 22.8 1.0 NE E:ARG121 4.5 23.0 1.0 NE D:ARG121 4.5 22.1 1.0 SD F:MET103 4.6 29.1 1.0 CB F:MET103 4.8 27.1 1.0 CB D:MET103 4.8 26.7 1.0 CB E:MET103 4.9 26.7 1.0 O F:HOH237 4.9 15.4 1.0 SD D:MET103 5.0 29.0 1.0 SD E:MET103 5.0 28.9 1.0

K.L.Pena, S.E.Castel, C.De Araujo, G.S.Espie, M.S.Kimber. Structural Basis of the Oxidative Activation of the Carboxysomal {Gamma}-Carbonic Anhydrase, Ccmm. Proc.Natl.Acad.Sci.Usa V. 107 2455 2010.
ISSN: ISSN 0027-8424
PubMed: 20133749
DOI: 10.1073/PNAS.0910866107