Calcium in PDB 2cbu: Beta-Glucosidase From Thermotoga Maritima in Complex with Castanospermine

All present enzymatic activity of Beta-Glucosidase From Thermotoga Maritima in Complex with Castanospermine:
3.2.1.21;

The structure of Beta-Glucosidase From Thermotoga Maritima in Complex with Castanospermine, PDB code: 2cbu was solved by T.M.Gloster, G.J.Davies, R.Madsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.55 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	94.076, 94.521, 113.280, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 23.7

The binding sites of Calcium atom in the Beta-Glucosidase From Thermotoga Maritima in Complex with Castanospermine (pdb code 2cbu). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Beta-Glucosidase From Thermotoga Maritima in Complex with Castanospermine, PDB code: 2cbu:

Calcium binding site 1 out of 1 in the Beta-Glucosidase From Thermotoga Maritima in Complex with Castanospermine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Beta-Glucosidase From Thermotoga Maritima in Complex with Castanospermine within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1446 b:33.8 occ:1.00 O B:HOH2267 1.9 31.5 1.0 O B:ASP278 2.4 19.8 1.0 OE1 B:GLU282 2.5 34.4 1.0 O B:HOH2268 2.5 46.6 1.0 OE2 B:GLU282 2.6 32.7 1.0 CD B:GLU282 2.9 31.3 1.0 OG B:SER281 3.4 32.4 1.0 C B:ASP278 3.6 21.1 1.0 O B:HOH2263 4.3 25.9 1.0 CG B:GLU282 4.4 28.8 1.0 N B:ASP279 4.5 19.6 1.0 CA B:ASP278 4.5 21.1 1.0 CA B:ASP279 4.5 19.5 1.0 O B:HOH2270 4.7 22.6 0.5 O B:HOH2269 4.7 39.8 0.5 CB B:SER281 4.8 25.4 1.0 CB B:ASP278 4.8 21.8 1.0 O B:HOH2275 4.8 31.3 1.0 C B:ASP279 4.9 19.2 1.0

T.M.Gloster, R.Madsen, G.J.Davies. Dissection of Conformationally Restricted Inhibitors Binding to A Beta-Glucosidase. Chembiochem V. 7 738 2006.
ISSN: ISSN 1439-4227
PubMed: 16628756
DOI: 10.1002/CBIC.200600005