Chlorine in PDB 6xxw: Structure of Beta-D-Glucuronidase For Dictyoglomus Thermophilum.

All present enzymatic activity of Structure of Beta-D-Glucuronidase For Dictyoglomus Thermophilum.:
3.2.1.31;

The structure of Structure of Beta-D-Glucuronidase For Dictyoglomus Thermophilum., PDB code: 6xxw was solved by P.Lafite, R.Daniellou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.83 / 1.85
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	79.130, 115.820, 130.540, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 20.7

The binding sites of Chlorine atom in the Structure of Beta-D-Glucuronidase For Dictyoglomus Thermophilum. (pdb code 6xxw). 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 Structure of Beta-D-Glucuronidase For Dictyoglomus Thermophilum., PDB code: 6xxw:

Chlorine binding site 1 out of 1 in the Structure of Beta-D-Glucuronidase For Dictyoglomus Thermophilum.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Beta-D-Glucuronidase For Dictyoglomus Thermophilum. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl610 b:24.6 occ:1.00 NZ A:LYS549 3.1 20.7 1.0 OH A:TYR453 3.1 22.8 1.0 N A:TRS601 3.2 26.5 1.0 ND2 A:ASN547 3.4 20.4 1.0 C3 A:TRS601 3.5 28.6 1.0 CE A:LYS549 3.5 18.9 1.0 NE1 A:TRP530 3.6 19.2 1.0 CD A:LYS549 3.7 19.3 1.0 CD1 A:TRP530 3.7 17.1 1.0 O3 A:TRS601 3.7 22.0 1.0 C A:TRS601 3.8 24.4 1.0 NH2 A:ARG543 3.9 20.1 1.0 OH A:TYR449 3.9 18.6 1.0 C2 A:TRS601 3.9 23.0 1.0 CZ A:TYR453 4.1 22.6 1.0 CE2 A:TYR453 4.1 18.9 1.0 CZ A:TYR449 4.2 18.2 1.0 OD2 A:ASP155 4.2 19.7 1.0 CE1 A:TYR449 4.3 16.8 1.0 CG A:ASN547 4.4 21.4 1.0 CG A:LYS549 4.4 18.3 1.0 OD1 A:ASN547 4.6 23.5 1.0 CE2 A:TRP530 4.7 18.7 1.0 CG A:TRP530 4.7 16.5 1.0 CE2 A:TYR449 4.9 18.6 1.0 CZ A:ARG543 4.9 24.9 1.0 O2 A:TRS601 4.9 26.9 1.0

M.Kurdziel, M.Kopec, A.Paris, K.Lewinski, P.Lafite, R.Daniellou. Thioglycoligation of Aromatic Thiols Using A Natural Glucuronide Donor. Org.Biomol.Chem. V. 18 5582 2020.
ISSN: ESSN 1477-0539
PubMed: 32671369
DOI: 10.1039/D0OB00226G