Chlorine in PDB 3o6j: Crystal Structure of 4-Chlorocatechol Dioxygenase From Rhodococcus Opacus 1CP in Complex with Hydroxyquinol

The structure of Crystal Structure of 4-Chlorocatechol Dioxygenase From Rhodococcus Opacus 1CP in Complex with Hydroxyquinol, PDB code: 3o6j was solved by M.Ferraroni, F.Briganti, M.Kolomitseva, L.Golovleva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.90
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	90.180, 90.180, 305.920, 90.00, 90.00, 120.00
R / Rfree (%)	21.5 / 29.3

The structure of Crystal Structure of 4-Chlorocatechol Dioxygenase From Rhodococcus Opacus 1CP in Complex with Hydroxyquinol also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of 4-Chlorocatechol Dioxygenase From Rhodococcus Opacus 1CP in Complex with Hydroxyquinol (pdb code 3o6j). 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 4-Chlorocatechol Dioxygenase From Rhodococcus Opacus 1CP in Complex with Hydroxyquinol, PDB code: 3o6j:

Chlorine binding site 1 out of 1 in the Crystal Structure of 4-Chlorocatechol Dioxygenase From Rhodococcus Opacus 1CP in Complex with Hydroxyquinol


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 4-Chlorocatechol Dioxygenase From Rhodococcus Opacus 1CP in Complex with Hydroxyquinol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl259 b:62.9 occ:1.00 OE2 A:GLU81 3.6 56.6 1.0 NH2 A:ARG150 3.7 54.5 1.0 NH1 A:ARG150 3.7 56.2 1.0 N A:GLY82 4.1 44.7 1.0 CZ A:ARG150 4.2 52.2 1.0 CA A:GLY82 4.3 43.1 1.0 CD A:GLU81 4.8 54.4 1.0 CB A:GLU81 4.9 45.5 1.0

M.Ferraroni, M.Kolomytseva, A.Scozzafava, L.Golovleva, F.Briganti. X-Ray Structures of 4-Chlorocatechol 1,2-Dioxygenase Adducts with Substituted Catechols: New Perspectives in the Molecular Basis of Intradiol Ring Cleaving Dioxygenases Specificity. J. Struct. Biol. V. 181 274 2013.
ISSN: ESSN 1095-8657
PubMed: 23261399
DOI: 10.1016/J.JSB.2012.11.007