Chlorine in PDB 2wcg: X-Ray Structure of Acid-Beta-Glucosidase with N-Octyl(Cyclic Guanidine)-Nojirimycin in the Active Site

All present enzymatic activity of X-Ray Structure of Acid-Beta-Glucosidase with N-Octyl(Cyclic Guanidine)-Nojirimycin in the Active Site:
3.2.1.45;

The structure of X-Ray Structure of Acid-Beta-Glucosidase with N-Octyl(Cyclic Guanidine)-Nojirimycin in the Active Site, PDB code: 2wcg was solved by B.Brumshtein, M.Aguilar, M.I.Garcia-Moreno, C.O.Mellet, J.M.Garcia-Fernandez, I.Silman, Y.Shaaltiel, D.Aviezer, J.L.Sussman, A.H.Futerman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.74 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	68.311, 96.827, 83.234, 90.00, 104.34, 90.00
R / Rfree (%)	13.5 / 19.4

The binding sites of Chlorine atom in the X-Ray Structure of Acid-Beta-Glucosidase with N-Octyl(Cyclic Guanidine)-Nojirimycin in the Active Site (pdb code 2wcg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of Acid-Beta-Glucosidase with N-Octyl(Cyclic Guanidine)-Nojirimycin in the Active Site, PDB code: 2wcg:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of Acid-Beta-Glucosidase with N-Octyl(Cyclic Guanidine)-Nojirimycin in the Active Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Acid-Beta-Glucosidase with N-Octyl(Cyclic Guanidine)-Nojirimycin in the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1510 b:59.2 occ:1.00 NH1 A:ARG353 3.5 25.8 1.0 NH2 A:ARG353 4.1 25.8 1.0 CZ A:ARG353 4.3 27.2 1.0 CE2 A:TYR11 4.9 27.3 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of Acid-Beta-Glucosidase with N-Octyl(Cyclic Guanidine)-Nojirimycin in the Active Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Acid-Beta-Glucosidase with N-Octyl(Cyclic Guanidine)-Nojirimycin in the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1509 b:52.1 occ:1.00 NZ B:LYS413 3.5 27.5 1.0 CD1 B:PHE26 3.6 50.1 1.0 CE1 B:PHE26 3.6 51.8 1.0 CE2 B:PHE417 3.8 12.4 1.0 OD2 B:ASP24 4.0 31.5 1.0 O B:ASP24 4.0 26.9 1.0 O B:GLU112 4.1 26.3 1.0 CA B:GLY113 4.2 21.4 1.0 CZ B:PHE417 4.3 12.3 1.0 CG2 B:ILE114 4.3 16.9 1.0 CA B:SER25 4.5 31.8 1.0 CE2 B:TYR418 4.5 15.5 1.0 C B:GLY113 4.5 21.2 1.0 CE B:LYS413 4.7 24.8 1.0 C B:ASP24 4.7 28.1 1.0 O B:SER107 4.8 19.1 1.0 CZ B:PHE26 4.8 52.5 1.0 N B:PHE26 4.8 37.0 1.0 CG B:PHE26 4.8 46.8 1.0 C B:SER25 4.8 33.6 1.0 CG B:ASP24 4.9 30.0 1.0 O B:HOH2026 4.9 43.9 1.0 N B:ILE114 4.9 19.9 1.0 N B:SER25 5.0 29.1 1.0 O B:GLY113 5.0 21.8 1.0

B.Brumshtein, M.Aguilar-Moncayo, M.I.Garcia-Moreno, C.Ortiz Mellet, J.M.Garcia Fernandez, I.Silman, Y.Shaaltiel, D.Aviezer, J.L.Sussman, A.H.Futerman. 6-Amino-6-Deoxy-5,6-Di-N-(N'-Octyliminomethylidene) Nojirimycin: Synthesis, Biological Evaluation, and Crystal Structure in Complex with Acid Beta-Glucosidase. Chembiochem V. 10 1480 2009.
ISSN: ISSN 1439-4227
PubMed: 19437524
DOI: 10.1002/CBIC.200900142