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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 3kwc:

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

Zinc (Zn) 6 atoms

Chlorine Binding Sites:

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 3kwc

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

Go back to Chlorine Binding Sites List in 3kwc
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

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 09:51:49 2020

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