Potassium in PDB 2xwe: X-Ray Structure of Acid-Beta-Glucosidase with 5N,6S-(N'-(N- Octyl)Imino)-6-Thionojirimycin in the Active Site

All present enzymatic activity of X-Ray Structure of Acid-Beta-Glucosidase with 5N,6S-(N'-(N- Octyl)Imino)-6-Thionojirimycin in the Active Site:
3.2.1.45;

The structure of X-Ray Structure of Acid-Beta-Glucosidase with 5N,6S-(N'-(N- Octyl)Imino)-6-Thionojirimycin in the Active Site, PDB code: 2xwe was solved by B.Brumshtein, M.Aguilar-Moncayo, J.M.Benito, C.Ortiz Mellet, J.M.Garcia Fernandez, I.Silman, Y.Shaaltiel, 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)	19.82 / 2.31
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	68.142, 96.693, 82.970, 90.00, 102.84, 90.00
R / Rfree (%)	14.994 / 21.337

The binding sites of Potassium atom in the X-Ray Structure of Acid-Beta-Glucosidase with 5N,6S-(N'-(N- Octyl)Imino)-6-Thionojirimycin in the Active Site (pdb code 2xwe). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the X-Ray Structure of Acid-Beta-Glucosidase with 5N,6S-(N'-(N- Octyl)Imino)-6-Thionojirimycin in the Active Site, PDB code: 2xwe:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the X-Ray Structure of Acid-Beta-Glucosidase with 5N,6S-(N'-(N- Octyl)Imino)-6-Thionojirimycin in the Active Site


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of X-Ray Structure of Acid-Beta-Glucosidase with 5N,6S-(N'-(N- Octyl)Imino)-6-Thionojirimycin in the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:K1503 b:29.8 occ:1.00 O A:GLU349 2.6 30.1 1.0 O A:GLY344 2.7 18.8 1.0 O A:LYS346 2.9 33.1 1.0 OG A:SER351 3.4 22.3 1.0 C A:GLU349 3.8 30.7 1.0 C A:LYS346 3.8 32.7 1.0 C A:GLY344 3.9 19.3 1.0 C A:SER345 4.1 28.1 1.0 N A:SER351 4.1 21.1 1.0 CA A:SER351 4.2 19.6 1.0 O A:PHE397 4.3 14.6 1.0 O A:PHE347 4.3 35.3 1.0 N A:LYS346 4.3 29.5 1.0 O A:SER345 4.3 29.5 1.0 C A:GLN350 4.3 23.9 1.0 CA A:SER345 4.4 25.1 1.0 N A:GLU349 4.4 32.9 1.0 CB A:SER351 4.4 19.4 1.0 C A:PHE347 4.5 33.8 1.0 CA A:GLU349 4.5 32.9 1.0 N A:PHE347 4.5 34.3 1.0 CA A:PHE347 4.6 34.9 1.0 N A:SER345 4.7 21.2 1.0 CB A:GLU349 4.7 33.3 1.0 O A:GLN350 4.7 23.7 1.0 CA A:LYS346 4.7 31.8 1.0 O A:HOH2198 4.7 27.4 1.0 N A:GLN350 4.7 27.8 1.0 CA A:GLN350 4.9 26.7 1.0 CA A:GLY344 5.0 16.3 1.0

Potassium binding site 2 out of 2 in the X-Ray Structure of Acid-Beta-Glucosidase with 5N,6S-(N'-(N- Octyl)Imino)-6-Thionojirimycin in the Active Site


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of X-Ray Structure of Acid-Beta-Glucosidase with 5N,6S-(N'-(N- Octyl)Imino)-6-Thionojirimycin in the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ B:K1503 b:35.1 occ:1.00 O B:GLY344 2.8 21.4 1.0 O B:GLU349 2.8 29.5 1.0 O B:LYS346 2.9 31.4 1.0 O B:HOH2153 3.1 30.0 1.0 OG B:SER351 3.6 24.6 1.0 C B:LYS346 3.9 31.4 1.0 C B:GLY344 3.9 20.8 1.0 C B:GLU349 3.9 30.4 1.0 C B:SER345 4.2 28.3 1.0 N B:SER351 4.2 22.0 1.0 O B:SER345 4.2 30.0 1.0 O B:PHE397 4.3 15.5 1.0 N B:LYS346 4.4 28.7 1.0 N B:GLU349 4.4 33.3 1.0 O B:PHE347 4.4 33.2 1.0 CA B:SER351 4.4 20.9 1.0 CB B:GLU349 4.4 33.7 1.0 C B:GLN350 4.5 25.8 1.0 CA B:GLU349 4.5 32.3 1.0 C B:PHE347 4.5 32.3 1.0 CA B:PHE347 4.5 32.5 1.0 N B:PHE347 4.6 32.4 1.0 N B:SER345 4.6 22.4 1.0 CA B:SER345 4.6 26.4 1.0 CB B:SER351 4.7 19.6 1.0 O B:HOH2155 4.7 29.7 1.0 CA B:LYS346 4.7 30.1 1.0 O B:GLN350 4.8 24.4 1.0 CA B:GLY344 4.8 17.8 1.0 N B:GLN350 4.9 28.5 1.0

B.Brumshtein, M.Aguilar-Moncayo, J.M.Benito, J.M.Garcia Fernandez, I.Silman, Y.Shaaltiel, D.Aviezer, J.L.Sussman, A.H.Futerman, C.Ortiz Mellet. Cyclodextrin-Mediated Crystallization of Acid Beta- Glucosidase in Complex with Amphiphilic Bicyclic Nojirimycin Analogues. Org.Biomol.Chem. V. 9 4160 2011.
ISSN: ISSN 1477-0520
PubMed: 21483943
DOI: 10.1039/C1OB05200D