Chlorine in PDB 6d41: Bacteriodes Uniformis Beta-Glucuronidase 1 Bound to D-Glucaro-1,5- Lactone

All present enzymatic activity of Bacteriodes Uniformis Beta-Glucuronidase 1 Bound to D-Glucaro-1,5- Lactone:
3.2.1.31;

The structure of Bacteriodes Uniformis Beta-Glucuronidase 1 Bound to D-Glucaro-1,5- Lactone, PDB code: 6d41 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)	29.93 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	126.066, 130.156, 94.490, 90.00, 100.24, 90.00
R / Rfree (%)	14 / 16.9

The binding sites of Chlorine atom in the Bacteriodes Uniformis Beta-Glucuronidase 1 Bound to D-Glucaro-1,5- Lactone (pdb code 6d41). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Bacteriodes Uniformis Beta-Glucuronidase 1 Bound to D-Glucaro-1,5- Lactone, PDB code: 6d41:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Bacteriodes Uniformis Beta-Glucuronidase 1 Bound to D-Glucaro-1,5- Lactone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bacteriodes Uniformis Beta-Glucuronidase 1 Bound to D-Glucaro-1,5- Lactone within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl704 b:15.4 occ:1.00 N B:ARG574 3.3 14.7 1.0 NZ B:LYS575 3.3 11.8 1.0 NE2 B:GLN569 3.3 13.2 1.0 CG B:LYS575 3.9 12.7 1.0 CE1 B:PHE525 3.9 16.4 1.0 OD1 B:ASN573 3.9 13.4 1.0 CA B:ARG574 4.0 15.7 1.0 CB B:ARG574 4.1 11.9 1.0 CE B:LYS575 4.1 13.2 1.0 C B:ASN573 4.2 15.5 1.0 CA B:ASN573 4.2 14.2 1.0 CA B:GLY512 4.2 15.3 1.0 N B:LYS575 4.2 13.7 1.0 CG B:ASN573 4.3 14.9 1.0 CD B:ARG563 4.3 10.7 1.0 C B:ARG574 4.3 15.2 1.0 CD B:GLN569 4.4 17.4 1.0 NH1 B:ARG563 4.4 15.8 1.0 CG B:GLN569 4.5 12.6 1.0 CZ B:PHE525 4.6 18.2 1.0 CD B:LYS575 4.6 13.7 1.0 ND2 B:ASN573 4.7 14.8 1.0 NE B:ARG563 4.8 14.3 1.0 N B:GLY512 4.8 14.0 1.0 CZ2 B:TRP483 4.8 15.2 1.0 CB B:ASN573 4.8 12.9 1.0 CZ B:ARG563 4.8 16.0 1.0 CG B:ARG574 4.9 13.9 1.0 O B:PHE572 4.9 10.9 1.0 CD1 B:PHE525 4.9 16.7 1.0 NE1 B:TRP483 4.9 14.0 1.0

Chlorine binding site 2 out of 2 in the Bacteriodes Uniformis Beta-Glucuronidase 1 Bound to D-Glucaro-1,5- Lactone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Bacteriodes Uniformis Beta-Glucuronidase 1 Bound to D-Glucaro-1,5- Lactone within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl706 b:17.1 occ:1.00 O A:HOH1006 3.2 14.9 1.0 NZ A:LYS575 3.2 13.6 1.0 N A:ARG574 3.3 12.7 1.0 NE2 A:GLN569 3.3 12.9 1.0 CG A:LYS575 3.9 11.6 1.0 OD1 A:ASN573 4.0 12.2 1.0 CE1 A:PHE525 4.0 16.2 1.0 CA A:ARG574 4.1 11.0 1.0 CB A:ARG574 4.1 10.7 1.0 CE A:LYS575 4.2 14.5 1.0 C A:ASN573 4.2 13.7 1.0 CA A:ASN573 4.2 11.5 1.0 N A:LYS575 4.3 12.0 1.0 CA A:GLY512 4.3 16.5 1.0 CG A:ASN573 4.3 13.2 1.0 C A:ARG574 4.3 12.9 1.0 CD A:ARG563 4.3 12.3 1.0 CD A:GLN569 4.4 15.2 1.0 NH1 A:ARG563 4.5 15.6 1.0 CG A:GLN569 4.6 13.1 1.0 CD A:LYS575 4.7 15.7 1.0 ND2 A:ASN573 4.7 12.3 1.0 CZ A:PHE525 4.7 15.2 1.0 CZ2 A:TRP483 4.7 14.4 1.0 NE A:ARG563 4.8 12.1 1.0 CB A:ASN573 4.8 9.4 1.0 N A:GLY512 4.8 16.8 1.0 CZ A:ARG563 4.9 14.6 1.0 O A:PHE572 4.9 11.4 1.0 CG A:ARG574 5.0 13.8 1.0 NE1 A:TRP483 5.0 15.1 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