Chlorine in PDB 2nxw: Crystal Structure of Phenylpyruvate Decarboxylase of Azospirillum Brasilense

All present enzymatic activity of Crystal Structure of Phenylpyruvate Decarboxylase of Azospirillum Brasilense:
4.1.1.43;

The structure of Crystal Structure of Phenylpyruvate Decarboxylase of Azospirillum Brasilense, PDB code: 2nxw was solved by W.Versees, S.Spaepen, J.Vanderleyden, J.Steyaert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	99.411, 179.032, 120.925, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 19.6

The structure of Crystal Structure of Phenylpyruvate Decarboxylase of Azospirillum Brasilense also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Phenylpyruvate Decarboxylase of Azospirillum Brasilense (pdb code 2nxw). 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 Phenylpyruvate Decarboxylase of Azospirillum Brasilense, PDB code: 2nxw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Phenylpyruvate Decarboxylase of Azospirillum Brasilense


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 Phenylpyruvate Decarboxylase of Azospirillum Brasilense within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4003 b:15.3 occ:1.00 OH A:TYR400 3.1 16.3 1.0 OG1 A:THR236 3.1 15.4 1.0 N A:VAL211 3.4 13.9 1.0 N A:ILE279 3.5 16.3 1.0 O A:HOH4050 3.5 21.1 1.0 CB A:CYS210 3.6 14.5 1.0 CE2 A:TYR400 3.7 15.9 1.0 CB A:VAL211 3.7 14.2 1.0 CB A:THR236 3.7 14.5 1.0 CG1 A:VAL211 3.8 15.3 1.0 CA A:ALA278 3.8 14.6 1.0 CZ A:TYR400 3.8 13.7 1.0 CB A:MET238 4.0 20.3 1.0 CG2 A:THR236 4.0 15.3 1.0 CA A:VAL211 4.2 14.5 1.0 C A:ALA278 4.2 15.7 1.0 CA A:CYS210 4.2 14.1 1.0 CB A:ALA278 4.3 15.8 1.0 CB A:ILE279 4.3 17.2 1.0 C A:CYS210 4.3 14.0 1.0 O A:GLY277 4.4 15.8 1.0 CG A:MET238 4.4 24.8 1.0 CA A:ILE279 4.4 18.0 1.0 O A:ILE279 4.6 22.5 1.0 CG1 A:ILE279 4.6 17.8 1.0 SG A:CYS210 4.7 16.3 1.0 N A:MET238 4.7 16.2 1.0 CD1 A:ILE279 4.8 16.3 1.0 N A:ALA278 4.8 14.2 1.0 CA A:MET238 4.9 18.2 1.0 CD2 A:TYR400 5.0 14.5 1.0 C A:GLY277 5.0 15.4 1.0 CG2 A:VAL211 5.0 16.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Phenylpyruvate Decarboxylase of Azospirillum Brasilense


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 Phenylpyruvate Decarboxylase of Azospirillum Brasilense within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl4004 b:15.6 occ:1.00 OG1 B:THR236 3.1 16.6 1.0 OH B:TYR400 3.2 19.4 1.0 N B:VAL211 3.4 14.1 1.0 N B:ILE279 3.4 16.4 1.0 CB B:CYS210 3.5 13.9 1.0 CE2 B:TYR400 3.7 16.9 1.0 CB B:THR236 3.7 15.4 1.0 CA B:ALA278 3.8 14.9 1.0 CB B:VAL211 3.8 14.6 1.0 CG1 B:VAL211 3.8 16.7 1.0 CZ B:TYR400 3.9 17.9 1.0 O B:HOH4050 4.0 21.4 1.0 CB B:MET238 4.0 23.1 1.0 CG2 B:THR236 4.1 18.1 1.0 C B:ALA278 4.1 15.5 1.0 CA B:CYS210 4.2 14.2 1.0 CA B:VAL211 4.2 14.7 1.0 CB B:ALA278 4.2 14.9 1.0 CB B:ILE279 4.3 16.3 1.0 C B:CYS210 4.3 13.2 1.0 O B:GLY277 4.3 15.5 1.0 CA B:ILE279 4.4 18.1 1.0 O B:ILE279 4.5 22.7 1.0 CG1 B:ILE279 4.5 17.1 1.0 N B:MET238 4.6 18.9 1.0 CA B:MET238 4.7 20.2 1.0 SG B:CYS210 4.7 17.1 1.0 N B:ALA278 4.8 14.3 1.0 CG B:MET238 4.8 25.9 1.0 CD1 B:ILE279 4.9 16.6 1.0 C B:MET238 4.9 19.8 1.0 C B:ILE279 4.9 21.8 1.0 C B:GLY277 5.0 15.0 1.0 CD2 B:TYR400 5.0 16.8 1.0

W.Versees, S.Spaepen, J.Vanderleyden, J.Steyaert. The Crystal Structure of Phenylpyruvate Decarboxylase From Azospirillum Brasilense at 1.5 A Resolution. Implications For Its Catalytic and Regulatory Mechanism. Febs J. V. 274 2363 2007.
ISSN: ISSN 1742-464X
PubMed: 17403037
DOI: 10.1111/J.1742-4658.2007.05771.X