Chlorine in PDB 4qel: Crystal Structure of Benzoylformate Decarboxylase Mutant H70A

All present enzymatic activity of Crystal Structure of Benzoylformate Decarboxylase Mutant H70A:
4.1.1.7;

The structure of Crystal Structure of Benzoylformate Decarboxylase Mutant H70A, PDB code: 4qel was solved by F.H.Andrews, M.P.Rogers, H.R.Brodkin, M.J.Mcleish, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.29 / 1.43
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	80.978, 95.442, 137.197, 90.00, 90.00, 90.00
R / Rfree (%)	13 / 15.8

The structure of Crystal Structure of Benzoylformate Decarboxylase Mutant H70A also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Calcium	(Ca)	3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Benzoylformate Decarboxylase Mutant H70A (pdb code 4qel). 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 Benzoylformate Decarboxylase Mutant H70A, PDB code: 4qel:

Chlorine binding site 1 out of 1 in the Crystal Structure of Benzoylformate Decarboxylase Mutant H70A


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 Benzoylformate Decarboxylase Mutant H70A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:23.0 occ:1.00 N A:ASP187 3.2 17.2 1.0 O A:HOH940 3.4 25.6 1.0 CG A:ASP187 3.7 24.3 1.0 CA A:ASN186 3.8 16.6 1.0 CB A:ASP187 3.9 20.6 1.0 OD2 A:ASP187 3.9 27.7 1.0 CB A:ASN186 3.9 17.6 1.0 C A:ASN186 4.0 17.2 1.0 OD1 A:ASP187 4.1 26.1 1.0 CA A:ASP187 4.2 18.8 1.0 NH1 A:ARG184 4.9 21.1 1.0

F.H.Andrews, M.P.Rogers, H.R.Brodkin, M.J.Mcleish. Structural Investigation of Benzoylformate Decarboxylase Active Site Variants To Be Published.