Chlorine in PDB 5l7u: Crystal Structure of BVGH123 with Bound Galnac

The structure of Crystal Structure of BVGH123 with Bound Galnac, PDB code: 5l7u was solved by C.Roth, M.Petricevic, A.John, E.D.Goddard-Borger, G.J.Davies, S.J.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.345, 142.207, 145.806, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 22.7

The binding sites of Chlorine atom in the Crystal Structure of BVGH123 with Bound Galnac (pdb code 5l7u). 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 Crystal Structure of BVGH123 with Bound Galnac, PDB code: 5l7u:

Chlorine binding site 1 out of 1 in the Crystal Structure of BVGH123 with Bound Galnac


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of BVGH123 with Bound Galnac within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:35.4 occ:1.00 O B:HOH727 3.2 42.5 1.0 N B:GLY255 3.3 43.8 1.0 N B:PHE261 3.3 35.6 1.0 N B:TRP253 3.4 36.9 1.0 CA B:LYS251 3.6 36.0 1.0 C B:TRP253 3.8 41.2 1.0 N B:ASN254 3.8 41.9 1.0 C B:LYS251 3.8 35.8 1.0 CA B:TRP253 3.8 39.5 1.0 CB B:TRP253 3.8 38.3 1.0 CA B:GLY255 3.8 41.9 1.0 N B:PRO252 4.0 35.2 1.0 CB B:PHE261 4.0 34.3 1.0 CD B:PRO252 4.0 33.9 1.0 CA B:ALA260 4.1 36.1 1.0 CD1 B:PHE261 4.1 35.0 1.0 CB B:LYS251 4.1 39.4 1.0 CE3 B:TRP253 4.2 34.8 1.0 O B:PHE261 4.2 33.9 1.0 C B:ALA260 4.2 35.4 1.0 CA B:PHE261 4.2 34.0 1.0 CB B:ALA260 4.2 36.8 1.0 O B:LYS251 4.3 35.5 1.0 O B:TRP253 4.3 44.0 1.0 C B:ASN254 4.4 45.6 1.0 C B:PRO252 4.5 36.0 1.0 CG B:PHE261 4.5 33.5 1.0 CA B:ASN254 4.5 44.6 1.0 CG B:LYS251 4.5 42.0 1.0 N B:GLN256 4.7 43.3 1.0 C B:PHE261 4.7 33.4 1.0 CA B:PRO252 4.7 35.4 1.0 CG B:TRP253 4.7 37.9 1.0 C B:GLY255 4.8 41.9 1.0 CD2 B:TRP253 4.8 35.5 1.0 N B:LYS251 4.8 35.2 1.0 CG B:PRO252 5.0 34.4 1.0

C.Roth, M.Petricevic, A.John, E.D.Goddard-Borger, G.J.Davies, S.J.Williams. Structural and Mechanistic Insights Into A Bacteroides Vulgatus Retaining N-Acetyl-Beta-Galactosaminidase That Uses Neighbouring Group Participation. Chem. Commun. (Camb.) V. 52 11096 2016.
ISSN: ESSN 1364-548X
PubMed: 27546776
DOI: 10.1039/C6CC04649E