Chlorine in PDB 6d6w: Bacteroides Uniformis Beta-Glucuronidase 1 Bound to Glucuronate

All present enzymatic activity of Bacteroides Uniformis Beta-Glucuronidase 1 Bound to Glucuronate:
3.2.1.31;

The structure of Bacteroides Uniformis Beta-Glucuronidase 1 Bound to Glucuronate, PDB code: 6d6w 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)	29.79 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	134.175, 133.920, 163.436, 90.00, 100.31, 90.00
R / Rfree (%)	18 / 22.9

The binding sites of Chlorine atom in the Bacteroides Uniformis Beta-Glucuronidase 1 Bound to Glucuronate (pdb code 6d6w). 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 Bound to Glucuronate, PDB code: 6d6w:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Bacteroides Uniformis Beta-Glucuronidase 1 Bound to Glucuronate


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 Bound to Glucuronate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl705 b:8.5 occ:1.00 N A:ARG574 3.2 5.2 1.0 NE2 A:GLN569 3.3 10.2 1.0 O A:HOH1070 3.3 8.9 1.0 NZ A:LYS575 3.3 6.1 1.0 CE1 A:PHE525 3.9 6.5 1.0 OD1 A:ASN573 3.9 7.6 1.0 CA A:ARG574 4.0 5.6 1.0 CB A:ARG574 4.1 4.0 1.0 CG A:LYS575 4.1 5.5 1.0 CA A:ASN573 4.1 6.5 1.0 C A:ASN573 4.2 6.6 1.0 CG A:ASN573 4.3 6.1 1.0 CD A:ARG563 4.3 7.5 1.0 CA A:GLY512 4.3 5.1 1.0 N A:LYS575 4.3 6.5 1.0 CE A:LYS575 4.3 5.5 1.0 C A:ARG574 4.3 4.9 1.0 NH1 A:ARG563 4.3 8.6 1.0 CD A:GLN569 4.3 5.8 1.0 CG A:GLN569 4.5 5.4 1.0 CZ A:PHE525 4.6 10.1 1.0 CZ2 A:TRP483 4.7 6.9 1.0 CD A:LYS575 4.7 7.5 1.0 ND2 A:ASN573 4.7 6.5 1.0 NE A:ARG563 4.8 9.0 1.0 CZ A:ARG563 4.8 11.3 1.0 CB A:ASN573 4.8 6.4 1.0 O A:PHE572 4.9 6.1 1.0 N A:GLY512 4.9 6.8 1.0 CG A:ARG574 4.9 4.2 1.0 NE1 A:TRP483 5.0 6.8 1.0 CD1 A:PHE525 5.0 7.5 1.0

Chlorine binding site 2 out of 4 in the Bacteroides Uniformis Beta-Glucuronidase 1 Bound to Glucuronate


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 Bound to Glucuronate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl705 b:8.6 occ:1.00 N B:ARG574 3.3 11.1 1.0 NZ B:LYS575 3.4 7.0 1.0 NE2 B:GLN569 3.4 9.2 1.0 OD1 B:ASN573 3.9 8.3 1.0 CE1 B:PHE525 3.9 5.7 1.0 CG B:LYS575 4.0 6.4 1.0 CA B:ARG574 4.1 7.9 1.0 CB B:ARG574 4.1 4.1 1.0 CA B:ASN573 4.2 7.0 1.0 C B:ASN573 4.2 9.4 1.0 CE B:LYS575 4.3 7.4 1.0 CD B:ARG563 4.3 7.8 1.0 CG B:ASN573 4.3 6.8 1.0 CA B:GLY512 4.3 5.5 1.0 N B:LYS575 4.3 6.0 1.0 C B:ARG574 4.4 7.8 1.0 NH1 B:ARG563 4.4 7.0 1.0 CD B:GLN569 4.4 8.2 1.0 CZ B:PHE525 4.5 8.4 1.0 CG B:GLN569 4.6 6.4 1.0 CZ2 B:TRP483 4.7 5.1 1.0 NE B:ARG563 4.7 8.1 1.0 CD B:LYS575 4.7 6.1 1.0 CZ B:ARG563 4.8 9.2 1.0 N B:GLY512 4.8 10.3 1.0 CB B:ASN573 4.8 7.3 1.0 ND2 B:ASN573 4.8 6.1 1.0 O B:PHE572 4.9 6.3 1.0 CG B:ARG574 4.9 7.0 1.0 CD1 B:PHE525 4.9 4.3 1.0

Chlorine binding site 3 out of 4 in the Bacteroides Uniformis Beta-Glucuronidase 1 Bound to Glucuronate


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 Bound to Glucuronate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl705 b:7.6 occ:1.00 O C:HOH1229 3.1 5.7 1.0 N C:ARG574 3.3 5.7 1.0 NZ C:LYS575 3.3 8.1 1.0 NE2 C:GLN569 3.3 7.3 1.0 OD1 C:ASN573 4.0 6.5 1.0 CE1 C:PHE525 4.0 7.9 1.0 CA C:ARG574 4.1 3.8 1.0 CG C:LYS575 4.1 5.3 1.0 CB C:ARG574 4.1 5.4 1.0 CA C:ASN573 4.2 4.2 1.0 C C:ASN573 4.2 4.9 1.0 NH1 C:ARG563 4.2 7.7 1.0 CE C:LYS575 4.3 5.3 1.0 CD C:ARG563 4.3 7.0 1.0 CG C:ASN573 4.3 8.9 1.0 N C:LYS575 4.3 5.4 1.0 CA C:GLY512 4.3 7.7 1.0 C C:ARG574 4.4 4.3 1.0 CD C:GLN569 4.4 6.7 1.0 CG C:GLN569 4.6 7.2 1.0 CD C:LYS575 4.7 8.8 1.0 ND2 C:ASN573 4.7 8.9 1.0 CZ C:ARG563 4.7 8.7 1.0 NE C:ARG563 4.8 6.2 1.0 CZ C:PHE525 4.8 10.5 1.0 CZ2 C:TRP483 4.8 5.0 1.0 CB C:ASN573 4.8 3.2 1.0 O C:PHE572 4.9 3.9 1.0 CG C:ARG574 4.9 6.6 1.0 N C:GLY512 4.9 7.0 1.0 NE1 C:TRP483 5.0 8.4 1.0

Chlorine binding site 4 out of 4 in the Bacteroides Uniformis Beta-Glucuronidase 1 Bound to Glucuronate


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 Bound to Glucuronate within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl705 b:8.8 occ:1.00 NE2 D:GLN569 3.3 5.5 1.0 N D:ARG574 3.3 6.2 1.0 NZ D:LYS575 3.3 8.3 1.0 OD1 D:ASN573 3.9 8.5 1.0 CE1 D:PHE525 4.0 8.0 1.0 CA D:ARG574 4.1 6.0 1.0 CG D:LYS575 4.1 5.5 1.0 CB D:ARG574 4.1 5.8 1.0 CA D:ASN573 4.2 7.1 1.0 C D:ASN573 4.2 5.4 1.0 CG D:ASN573 4.2 6.7 1.0 CD D:ARG563 4.2 8.0 1.0 CD D:GLN569 4.3 4.2 1.0 N D:LYS575 4.4 6.9 1.0 NH1 D:ARG563 4.4 8.1 1.0 C D:ARG574 4.4 5.2 1.0 CE D:LYS575 4.4 4.3 1.0 CA D:GLY512 4.4 8.0 1.0 CG D:GLN569 4.4 5.3 1.0 CZ D:PHE525 4.6 6.0 1.0 NE D:ARG563 4.7 6.4 1.0 ND2 D:ASN573 4.8 6.0 1.0 CB D:ASN573 4.8 6.6 1.0 CZ2 D:TRP483 4.8 5.6 1.0 CZ D:ARG563 4.8 11.4 1.0 CD D:LYS575 4.8 6.5 1.0 O D:PHE572 4.8 5.7 1.0 CG D:ARG574 4.8 6.8 1.0 CD1 D:PHE525 5.0 7.5 1.0 N D:GLY512 5.0 10.3 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