Chlorine in PDB 3kwe: Inactive Truncation of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm, Form 2

All present enzymatic activity of Inactive Truncation of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm, Form 2:
4.2.1.1;

The structure of Inactive Truncation of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm, Form 2, PDB code: 3kwe 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)	26.95 / 1.10
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	102.931, 102.931, 44.903, 90.00, 90.00, 120.00
R / Rfree (%)	12.9 / 13.9

The structure of Inactive Truncation of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm, Form 2 also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Zinc	(Zn)	1 atom

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

Chlorine binding site 1 out of 2 in the Inactive Truncation of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm, Form 2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Inactive Truncation of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm, Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl195 b:9.8 occ:0.30 NH1 A:ARG121 3.1 12.8 1.0 O A:HOH312 3.1 21.4 0.3 CG A:ARG121 3.7 12.8 1.0 CD A:ARG121 3.9 12.4 1.0 CZ A:ARG121 4.2 11.9 1.0 NE A:ARG121 4.5 12.4 1.0 CB A:MET103 4.5 12.7 0.5 CB A:MET103 4.6 12.9 0.6 SD A:MET103 4.7 14.9 0.6 O A:MET103 4.9 12.0 1.0

Chlorine binding site 2 out of 2 in the Inactive Truncation of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm, Form 2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Inactive Truncation of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm, Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl196 b:11.4 occ:1.00 O A:HOH215 3.1 17.6 1.0 N A:ASP70 3.3 12.5 1.0 CE1 A:HIS102 3.5 11.5 1.0 CB A:ALA47 3.6 12.8 1.0 CB A:GLN69 3.7 12.4 1.0 CA A:GLN69 3.8 12.3 1.0 CB A:ASP70 3.8 12.7 1.0 O A:HOH278 3.9 35.1 1.0 C A:GLN69 4.1 12.5 1.0 CG A:GLN69 4.1 12.4 1.0 CA A:ASP70 4.2 12.3 1.0 ND1 A:HIS102 4.2 11.8 1.0 NE2 A:HIS102 4.3 11.8 1.0 CD A:GLN69 4.7 11.7 1.0 O A:HOH299 4.7 20.1 1.0 OE1 A:GLN69 5.0 11.6 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