Calcium in PDB 2j79: Beta-Glucosidase From Thermotoga Maritima in Complex with Galacto-Hydroximolactam

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

The structure of Beta-Glucosidase From Thermotoga Maritima in Complex with Galacto-Hydroximolactam, PDB code: 2j79 was solved by T.M.Gloster, D.Zechel, A.Vasella, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.55 / 1.94
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	94.157, 94.436, 113.305, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 24.2

The binding sites of Calcium atom in the Beta-Glucosidase From Thermotoga Maritima in Complex with Galacto-Hydroximolactam (pdb code 2j79). 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 Galacto-Hydroximolactam, PDB code: 2j79:

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


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 Galacto-Hydroximolactam within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1447 b:35.4 occ:1.00 O B:HOH2211 2.0 36.0 1.0 OE1 B:GLU282 2.4 33.5 1.0 O B:ASP278 2.5 24.4 1.0 OE2 B:GLU282 2.6 32.8 1.0 O B:HOH2214 2.7 52.2 1.0 CD B:GLU282 2.8 30.5 1.0 C B:ASP278 3.7 24.9 1.0 OG B:SER281 4.2 34.5 1.0 CG B:GLU282 4.3 27.8 1.0 O B:HOH2209 4.3 26.1 1.0 CA B:ASP279 4.5 23.1 1.0 N B:ASP279 4.5 24.2 1.0 CA B:ASP278 4.6 24.3 1.0 O B:HOH2215 4.8 39.0 1.0 CB B:ASP278 4.9 24.4 1.0 C B:ASP279 5.0 23.3 1.0

T.M.Gloster, P.Meloncelli, R.V.Stick, D.Zechel, A.Vasella, G.J.Davies. Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics. J.Am.Chem.Soc. V. 129 2345 2007.
ISSN: ISSN 0002-7863
PubMed: 17279749
DOI: 10.1021/JA066961G