Chlorine in PDB 3jxp: Crystal Structure of the Coenzyme Pqq Synthesis Protein (Pqqb) From Pseudomonas Putida

The structure of Crystal Structure of the Coenzyme Pqq Synthesis Protein (Pqqb) From Pseudomonas Putida, PDB code: 3jxp was solved by M.Metlitzky, R.Schwarzenbacher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.70 / 2.20
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	86.209, 86.209, 109.406, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 24.3

The structure of Crystal Structure of the Coenzyme Pqq Synthesis Protein (Pqqb) From Pseudomonas Putida also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of the Coenzyme Pqq Synthesis Protein (Pqqb) From Pseudomonas Putida (pdb code 3jxp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Coenzyme Pqq Synthesis Protein (Pqqb) From Pseudomonas Putida, PDB code: 3jxp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Coenzyme Pqq Synthesis Protein (Pqqb) From Pseudomonas Putida


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Coenzyme Pqq Synthesis Protein (Pqqb) From Pseudomonas Putida within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl321 b:23.7 occ:1.00 O A:HOH357 3.1 23.6 1.0 N A:ILE91 3.2 15.9 1.0 CB A:PRO166 3.6 25.2 1.0 CA A:GLN90 3.6 16.3 1.0 CB A:GLN90 3.8 14.9 1.0 CG1 A:ILE91 3.9 14.5 1.0 CB A:ILE91 3.9 16.5 1.0 C A:GLN90 3.9 16.0 1.0 CA A:ILE91 4.1 16.1 1.0 CG A:GLN90 4.1 18.8 1.0 CD A:PRO167 4.2 23.0 1.0 CD1 A:ILE91 4.2 17.4 1.0 CA A:PRO166 4.4 26.1 1.0 CE2 A:TYR168 4.5 14.7 1.0 CG A:PRO166 4.6 26.9 1.0 CD2 A:TYR168 4.6 14.7 1.0 N A:GLN90 4.9 15.3 1.0 N A:PRO167 5.0 22.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Coenzyme Pqq Synthesis Protein (Pqqb) From Pseudomonas Putida


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Coenzyme Pqq Synthesis Protein (Pqqb) From Pseudomonas Putida within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl322 b:44.4 occ:1.00 ND2 A:ASN18 3.3 18.8 1.0 CB A:ASN18 3.8 16.5 1.0 CG A:ASN18 4.0 18.5 1.0 CH2 A:TRP17 4.5 14.8 1.0 O A:ASN18 4.9 18.9 1.0 CZ2 A:TRP17 5.0 14.9 1.0

M.Metlitzky, S.Puehringer, S.J.Fisher. Crystal Structure of Pqqb From Pseudomonas Putida at 2.2 A Resolution J. Biophys. Chem. V. 3 206 2012.
ISSN: ISSN 2153-036X
DOI: 10.4236/JBPC.2012.32023