Chlorine in PDB 6ec6: Ruminococcus Gnavus Beta-Glucuronidase

The structure of Ruminococcus Gnavus Beta-Glucuronidase, PDB code: 6ec6 was solved by K.A.Biernat, M.R.Redinbo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.50 / 2.85
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	88.292, 137.916, 153.837, 90.00, 90.00, 90.00
R / Rfree (%)	14 / 19.9

The binding sites of Chlorine atom in the Ruminococcus Gnavus Beta-Glucuronidase (pdb code 6ec6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Ruminococcus Gnavus Beta-Glucuronidase, PDB code: 6ec6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Ruminococcus Gnavus Beta-Glucuronidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ruminococcus Gnavus Beta-Glucuronidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:53.0 occ:1.00 O A:HOH910 3.0 26.7 1.0 H A:HIS62 3.3 40.0 1.0 O A:HOH923 3.3 24.9 1.0 HB2 A:ASP61 3.4 43.4 1.0 ND1 A:HIS62 3.4 37.0 1.0 O A:HOH882 3.4 25.2 1.0 HA A:ASP61 3.5 34.2 1.0 HE1 A:HIS62 3.8 44.1 1.0 HB3 A:ASP61 3.9 43.4 1.0 CE1 A:HIS62 3.9 36.8 1.0 CB A:ASP61 4.0 36.2 1.0 N A:HIS62 4.1 33.4 1.0 CA A:ASP61 4.2 28.5 1.0 CG A:HIS62 4.5 33.8 1.0 HB2 A:HIS62 4.6 41.9 1.0 C A:ASP61 4.7 31.2 1.0 CB A:HIS62 4.9 34.9 1.0 H A:LYS63 4.9 46.3 1.0

Chlorine binding site 2 out of 2 in the Ruminococcus Gnavus Beta-Glucuronidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ruminococcus Gnavus Beta-Glucuronidase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl702 b:55.1 occ:1.00 H B:HIS62 2.9 36.5 1.0 HB2 B:ASP61 3.0 58.1 1.0 HA B:ASP61 3.2 37.0 1.0 ND1 B:HIS62 3.3 38.1 1.0 O B:HOH905 3.4 21.5 1.0 O B:HOH863 3.4 21.8 1.0 CB B:ASP61 3.7 48.5 1.0 N B:HIS62 3.7 30.4 1.0 HB3 B:ASP61 3.8 58.1 1.0 CA B:ASP61 3.8 30.9 1.0 HE1 B:HIS62 3.8 38.7 1.0 CE1 B:HIS62 3.9 32.3 1.0 C B:ASP61 4.3 26.8 1.0 CG B:HIS62 4.4 24.0 1.0 HB2 B:HIS62 4.4 35.2 1.0 H B:LYS63 4.7 50.9 1.0 CB B:HIS62 4.7 29.4 1.0 CA B:HIS62 4.8 29.9 1.0

K.A.Biernat, S.J.Pellock, A.P.Bhatt, M.M.Bivins, W.G.Walton, B.N.T.Tran, L.Wei, M.C.Snider, A.P.Cesmat, A.Tripathy, D.A.Erie, M.R.Redinbo. Structure, Function, and Inhibition of Drug Reactivating Human Gut Microbial Beta-Glucuronidases. Sci Rep V. 9 825 2019.
ISSN: ESSN 2045-2322
PubMed: 30696850
DOI: 10.1038/S41598-018-36069-W