Chlorine in PDB 6d89: Bacteroides Uniformis Beta-Glucuronidase 1 with N-Terminal Loop Deletion

All present enzymatic activity of Bacteroides Uniformis Beta-Glucuronidase 1 with N-Terminal Loop Deletion:
3.2.1.31;

The structure of Bacteroides Uniformis Beta-Glucuronidase 1 with N-Terminal Loop Deletion, PDB code: 6d89 was solved by W.G.Walton, S.J.Pellock, M.R.Redinbo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.35 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	76.650, 199.191, 84.625, 90.00, 102.81, 90.00
R / Rfree (%)	17.6 / 23

The binding sites of Chlorine atom in the Bacteroides Uniformis Beta-Glucuronidase 1 with N-Terminal Loop Deletion (pdb code 6d89). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Bacteroides Uniformis Beta-Glucuronidase 1 with N-Terminal Loop Deletion, PDB code: 6d89:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Bacteroides Uniformis Beta-Glucuronidase 1 with N-Terminal Loop Deletion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bacteroides Uniformis Beta-Glucuronidase 1 with N-Terminal Loop Deletion within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl602 b:20.9 occ:1.00 O D:HOH835 3.2 24.6 1.0 N C:ARG566 3.3 22.4 1.0 NE2 C:GLN561 3.3 21.6 1.0 NZ C:LYS567 3.5 21.4 1.0 CG C:LYS567 3.8 21.1 1.0 OD1 C:ASN565 3.8 19.1 1.0 CE1 C:PHE517 4.0 25.0 1.0 CA C:ARG566 4.0 21.4 1.0 CB C:ARG566 4.0 19.0 1.0 CA C:GLY504 4.1 19.6 1.0 N C:LYS567 4.2 18.2 1.0 C C:ASN565 4.2 22.6 1.0 C C:ARG566 4.3 19.2 1.0 CE C:LYS567 4.3 26.7 1.0 CG C:ASN565 4.3 18.8 1.0 CA C:ASN565 4.3 19.3 1.0 CD C:GLN561 4.4 23.9 1.0 CD C:ARG555 4.4 19.5 1.0 NH1 C:ARG555 4.5 20.0 1.0 CG C:GLN561 4.6 23.7 1.0 N C:GLY504 4.6 18.6 1.0 OE2 D:GLU72 4.6 25.2 1.0 CD C:LYS567 4.7 21.4 1.0 CZ2 C:TRP475 4.7 19.7 1.0 CZ C:PHE517 4.7 26.4 1.0 ND2 C:ASN565 4.8 19.2 1.0 CG C:ARG566 4.8 18.9 1.0 NE C:ARG555 4.9 23.6 1.0 CB C:ASN565 4.9 18.2 1.0 O C:PHE564 4.9 19.4 1.0 CZ C:ARG555 4.9 25.4 1.0 CD1 C:PHE517 5.0 23.2 1.0 NE1 C:TRP475 5.0 25.1 1.0 CB C:LYS567 5.0 21.2 1.0 CA C:LYS567 5.0 19.3 1.0

Chlorine binding site 2 out of 4 in the Bacteroides Uniformis Beta-Glucuronidase 1 with N-Terminal Loop Deletion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Bacteroides Uniformis Beta-Glucuronidase 1 with N-Terminal Loop Deletion within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl602 b:26.2 occ:1.00 O C:HOH788 3.2 25.9 1.0 N D:ARG566 3.2 19.5 1.0 NE2 D:GLN561 3.3 22.9 1.0 NZ D:LYS567 3.3 21.8 1.0 CG D:LYS567 3.9 20.8 1.0 OD1 D:ASN565 3.9 24.1 1.0 CB D:ARG566 3.9 23.1 1.0 CE1 D:PHE517 4.0 25.9 1.0 CA D:ARG566 4.0 20.7 1.0 CE D:LYS567 4.1 23.0 1.0 C D:ASN565 4.2 23.6 1.0 CA D:GLY504 4.2 22.8 1.0 CA D:ASN565 4.3 22.0 1.0 N D:LYS567 4.3 21.8 1.0 C D:ARG566 4.3 21.1 1.0 CG D:ASN565 4.3 20.4 1.0 CD D:GLN561 4.4 26.1 1.0 NH1 D:ARG555 4.4 24.6 1.0 CD D:ARG555 4.5 21.1 1.0 CG D:GLN561 4.5 20.1 1.0 CZ D:PHE517 4.6 24.6 1.0 CD D:LYS567 4.7 21.9 1.0 CZ2 D:TRP475 4.7 24.0 1.0 N D:GLY504 4.8 21.4 1.0 OE2 C:GLU72 4.8 24.7 1.0 ND2 D:ASN565 4.8 22.4 1.0 CG D:ARG566 4.8 19.9 1.0 CZ D:ARG555 4.9 26.9 1.0 CB D:ASN565 4.9 22.4 1.0 O D:PHE564 4.9 17.2 1.0 NE D:ARG555 4.9 19.6 1.0 CD1 D:PHE517 5.0 25.9 1.0 NE1 D:TRP475 5.0 24.3 1.0

Chlorine binding site 3 out of 4 in the Bacteroides Uniformis Beta-Glucuronidase 1 with N-Terminal Loop Deletion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Bacteroides Uniformis Beta-Glucuronidase 1 with N-Terminal Loop Deletion within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:22.9 occ:1.00 O A:HOH987 3.0 22.4 1.0 NE2 A:GLN561 3.3 17.8 1.0 N A:ARG566 3.3 18.9 1.0 NZ A:LYS567 3.5 25.2 1.0 OD1 A:ASN565 3.8 25.3 1.0 CE1 A:PHE517 3.9 22.0 1.0 CG A:LYS567 4.1 20.7 1.0 CA A:ARG566 4.1 19.0 1.0 CB A:ARG566 4.1 17.7 1.0 C A:ASN565 4.2 20.4 1.0 CA A:ASN565 4.2 20.1 1.0 N A:LYS567 4.3 22.3 1.0 CA A:GLY504 4.3 24.5 1.0 CG A:ASN565 4.3 23.4 1.0 C A:ARG566 4.3 19.9 1.0 CD A:GLN561 4.3 22.5 1.0 CE A:LYS567 4.4 23.7 1.0 CD A:ARG555 4.4 24.9 1.0 NH1 A:ARG555 4.5 18.9 1.0 OE2 B:GLU72 4.5 22.0 1.0 CG A:GLN561 4.5 21.7 1.0 CZ A:PHE517 4.6 22.7 1.0 O A:PHE564 4.8 17.1 1.0 CD A:LYS567 4.8 20.3 1.0 NE A:ARG555 4.8 23.2 1.0 CZ2 A:TRP475 4.9 22.9 1.0 N A:GLY504 4.9 24.2 1.0 CZ A:ARG555 4.9 27.1 1.0 CD1 A:PHE517 4.9 18.5 1.0 CB A:ASN565 4.9 20.4 1.0 ND2 A:ASN565 4.9 20.1 1.0 CG A:ARG566 4.9 26.0 1.0

Chlorine binding site 4 out of 4 in the Bacteroides Uniformis Beta-Glucuronidase 1 with N-Terminal Loop Deletion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Bacteroides Uniformis Beta-Glucuronidase 1 with N-Terminal Loop Deletion within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:27.7 occ:1.00 N B:ARG566 3.3 19.5 1.0 NZ B:LYS567 3.3 22.8 1.0 O B:HOH802 3.3 28.2 1.0 NE2 B:GLN561 3.3 22.0 1.0 CE1 B:PHE517 3.9 27.8 1.0 CG B:LYS567 3.9 18.8 1.0 CA B:ARG566 4.0 18.6 1.0 CB B:ARG566 4.0 17.5 1.0 OD1 B:ASN565 4.1 24.1 1.0 CA B:GLY504 4.1 24.3 1.0 N B:LYS567 4.2 20.6 1.0 C B:ASN565 4.2 21.3 1.0 C B:ARG566 4.2 21.3 1.0 CA B:ASN565 4.2 20.6 1.0 CE B:LYS567 4.3 21.8 1.0 CG B:ASN565 4.4 28.3 1.0 CD B:GLN561 4.4 23.3 1.0 CG B:GLN561 4.5 20.0 1.0 CZ B:PHE517 4.5 25.9 1.0 OE1 A:GLU72 4.6 31.3 1.0 CD B:ARG555 4.6 21.5 1.0 NH1 B:ARG555 4.6 27.0 1.0 N B:GLY504 4.7 19.6 1.0 CD B:LYS567 4.7 21.7 1.0 CZ2 B:TRP475 4.7 24.7 1.0 NE B:ARG555 4.8 26.8 1.0 ND2 B:ASN565 4.8 23.1 1.0 CG B:ARG566 4.8 21.3 1.0 CZ B:ARG555 4.8 30.0 1.0 CB B:ASN565 4.9 16.8 1.0 O B:PHE564 4.9 21.1 1.0 O B:ARG566 4.9 23.7 1.0 NE1 B:TRP475 5.0 27.1 1.0 CD1 B:PHE517 5.0 20.4 1.0

S.J.Pellock, W.G.Walton, K.A.Biernat, D.Torres-Rivera, B.C.Creekmore, Y.Xu, J.Liu, A.Tripathy, L.J.Stewart, M.R.Redinbo. Three Structurally and Functionally Distinct Beta-Glucuronidases From the Human Gut Microbebacteroides Uniformis. J. Biol. Chem. V. 293 18559 2018.
ISSN: ESSN 1083-351X
PubMed: 30301767
DOI: 10.1074/JBC.RA118.005414