Chlorine in PDB 3kwd: Inactive Truncation of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm, Form 1

All present enzymatic activity of Inactive Truncation of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm, Form 1:
4.2.1.1;

The structure of Inactive Truncation of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm, Form 1, PDB code: 3kwd was solved by K.L.Pena, M.S.Kimber, S.E.Castel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.97 / 1.10
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	103.006, 103.006, 44.953, 90.00, 90.00, 120.00
R / Rfree (%)	13.3 / 14.8

The structure of Inactive Truncation of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm, Form 1 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Inactive Truncation of the Beta-Carboxysomal Gamma-Carbonic Anhydrase, Ccmm, Form 1 (pdb code 3kwd). 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 1, PDB code: 3kwd:
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 1


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 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl195 b:6.9 occ:0.30 NH1 A:ARG121 3.1 10.5 1.0 O A:HOH340 3.2 16.1 0.3 CG A:ARG121 3.7 10.3 1.0 CD A:ARG121 3.9 10.1 1.0 CZ A:ARG121 4.2 10.3 1.0 NE A:ARG121 4.5 9.9 1.0 CB A:MET103 4.6 10.9 0.4 CB A:MET103 4.6 10.3 0.6 CE A:MET103 4.6 14.3 0.4 SD A:MET103 4.9 12.2 0.6 O A:MET103 5.0 10.3 1.0

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


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 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl196 b:12.9 occ:1.00 O A:HOH221 2.2 9.1 0.4 O A:HOH247 3.0 15.6 1.0 N A:ASP70 3.3 9.9 1.0 CE1 A:HIS102 3.4 9.2 1.0 CB A:ALA47 3.6 10.7 1.0 CB A:GLN69 3.7 9.9 1.0 O A:HOH309 3.7 11.1 0.4 CA A:GLN69 3.7 10.1 1.0 CB A:ASP70 3.8 10.1 1.0 CG A:GLN69 4.0 10.0 1.0 C A:GLN69 4.0 10.0 1.0 ND1 A:HIS102 4.2 9.3 1.0 CA A:ASP70 4.2 10.1 1.0 NE2 A:HIS102 4.2 9.5 1.0 CD A:GLN69 4.5 9.2 1.0 O A:HOH327 4.6 17.2 1.0 OE1 A:GLN69 4.8 9.4 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