Calcium in PDB 2j77: Beta-Glucosidase From Thermotoga Maritima in Complex with Deoxynojirimycin

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

The structure of Beta-Glucosidase From Thermotoga Maritima in Complex with Deoxynojirimycin, PDB code: 2j77 was solved by T.M.Gloster, D.Zechel, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.55 / 2.1
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	93.563, 94.365, 112.952, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 25.8

The binding sites of Calcium atom in the Beta-Glucosidase From Thermotoga Maritima in Complex with Deoxynojirimycin (pdb code 2j77). 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 Deoxynojirimycin, PDB code: 2j77:

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


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 Deoxynojirimycin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1447 b:40.0 occ:1.00 O B:HOH2151 2.1 29.6 1.0 OE1 B:GLU282 2.4 39.0 1.0 O B:ASP278 2.5 25.8 1.0 OE2 B:GLU282 2.6 39.7 1.0 O B:HOH2150 2.9 38.4 1.0 CD B:GLU282 2.9 37.6 1.0 C B:ASP278 3.6 26.3 1.0 OG B:SER281 4.0 34.1 1.0 O B:HOH2145 4.2 26.1 1.0 CG B:GLU282 4.4 33.6 1.0 CA B:ASP279 4.5 24.5 1.0 N B:ASP279 4.5 25.7 1.0 CA B:ASP278 4.5 26.3 1.0 O B:HOH2153 4.7 28.2 1.0 CB B:ASP278 4.7 26.4 1.0 C B:ASP279 5.0 24.3 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