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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 3kwe:

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

Chlorine Binding Sites:

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 3kwe

Go back to Chlorine Binding Sites List in 3kwe
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 3kwe

Go back to Chlorine Binding Sites List in 3kwe
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

Reference:

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
Page generated: Sat Dec 12 09:51:51 2020

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