Chlorine in PDB 2wsj: Crystal Structure of Single Point Mutant GLU71SER P-Coumaric Acid Decarboxylase

The structure of Crystal Structure of Single Point Mutant GLU71SER P-Coumaric Acid Decarboxylase, PDB code: 2wsj was solved by H.Rodriguez, I.Angulo, B.De Las Rivas, N.Campillo, J.A.Paez, R.Munoz, J.M.Mancheno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.96 / 2.24
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	108.811, 52.756, 82.095, 90.00, 122.44, 90.00
R / Rfree (%)	17.8 / 25.9

The structure of Crystal Structure of Single Point Mutant GLU71SER P-Coumaric Acid Decarboxylase also contains other interesting chemical elements:

Barium	(Ba)	1 atom
Sodium	(Na)	4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Single Point Mutant GLU71SER P-Coumaric Acid Decarboxylase (pdb code 2wsj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Single Point Mutant GLU71SER P-Coumaric Acid Decarboxylase, PDB code: 2wsj:

Chlorine binding site 1 out of 1 in the Crystal Structure of Single Point Mutant GLU71SER P-Coumaric Acid Decarboxylase


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 Single Point Mutant GLU71SER P-Coumaric Acid Decarboxylase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1179 b:32.9 occ:1.00 OH B:TYR38 2.6 16.1 1.0 OE1 B:GLN53 2.8 20.0 1.0 OG B:SER71 2.8 17.1 1.0 NE2 B:GLN109 3.0 17.1 1.0 CB B:SER71 3.5 16.6 1.0 CD B:PRO72 3.6 16.0 1.0 CZ B:TYR38 3.7 16.0 1.0 NH2 B:ARG48 3.7 19.6 1.0 CG1 B:VAL50 3.7 17.9 1.0 CD B:GLN53 3.8 19.7 1.0 O2 B:IPA1178 3.9 29.8 1.0 CD B:GLN109 3.9 18.5 1.0 CG2 B:VAL50 3.9 17.4 1.0 CA B:SER71 3.9 16.1 1.0 OE1 B:GLN109 4.0 19.5 1.0 CE1 B:TYR38 4.1 15.8 1.0 NE1 B:TRP69 4.2 15.1 1.0 CB B:VAL50 4.4 17.6 1.0 CG B:GLN53 4.4 18.2 1.0 CD1 B:TRP69 4.5 15.4 1.0 O B:HOH2027 4.5 30.6 1.0 N B:PRO72 4.5 16.1 1.0 CG B:PRO72 4.6 16.0 1.0 CB B:GLN53 4.6 18.3 1.0 CE2 B:TYR38 4.8 14.6 1.0 C B:SER71 4.8 16.1 1.0 CZ B:ARG48 4.8 19.7 1.0 NE2 B:GLN53 4.9 18.8 1.0

H.Rodriguez, I.Angulo, B.De Las Rivas, N.Campillo, J.A.Paez, R.Munoz, J.M.Mancheno. P-Coumaric Acid Decarboxylase From Lactobacillus Plantarum: Structural Insights Into the Active Site and Decarboxylation Catalytic Mechanism. Proteins V. 78 1662 2010.
ISSN: ISSN 0887-3585
PubMed: 20112419
DOI: 10.1002/PROT.22684