Calcium in PDB 2jal: Beta-Glucosidase From Thermotoga Maritima in Complex with Cyclophellitol

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

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

Resolution Low / High (Å)	72.74 / 1.9
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	94.699, 94.466, 113.591, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 24.4

The binding sites of Calcium atom in the Beta-Glucosidase From Thermotoga Maritima in Complex with Cyclophellitol (pdb code 2jal). 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 Cyclophellitol, PDB code: 2jal:

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


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 Cyclophellitol within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1447 b:53.8 occ:1.00 O B:HOH2158 2.0 26.5 1.0 OE1 B:GLU282 2.3 47.8 1.0 O B:ASP278 2.6 29.0 1.0 OE2 B:GLU282 2.7 46.1 1.0 CD B:GLU282 2.9 43.8 1.0 OG B:SER281 3.7 38.4 1.0 C B:ASP278 3.8 29.4 1.0 O B:HOH2160 4.2 33.9 1.0 CG B:GLU282 4.4 39.3 1.0 CA B:ASP279 4.7 27.3 1.0 CA B:ASP278 4.7 29.2 1.0 N B:ASP279 4.7 27.6 1.0 CB B:ASP278 4.9 30.3 1.0 CB B:SER281 4.9 34.3 1.0

T.M.Gloster, R.Madsen, G.J.Davies. Structural Basis For Cyclophellitol Inhibition of A Beta-Glucosidase. Org.Biomol.Chem. V. 5 444 2007.
ISSN: ISSN 1477-0520
PubMed: 17252125
DOI: 10.1039/B616590G