Calcium in PDB 2j7b: Beta-Glucosidase From Thermotoga Maritima in Complex with Gluco-Tetrazole

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

The structure of Beta-Glucosidase From Thermotoga Maritima in Complex with Gluco-Tetrazole, PDB code: 2j7b 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 / 1.87
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	94.069, 94.164, 112.978, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 22

The binding sites of Calcium atom in the Beta-Glucosidase From Thermotoga Maritima in Complex with Gluco-Tetrazole (pdb code 2j7b). 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 Gluco-Tetrazole, PDB code: 2j7b:

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


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 Gluco-Tetrazole within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1448 b:34.6 occ:1.00 O B:HOH2221 2.0 28.4 1.0 OE1 B:GLU282 2.4 32.9 1.0 O B:ASP278 2.4 20.9 1.0 OE2 B:GLU282 2.6 33.3 1.0 O B:HOH2226 2.6 48.0 1.0 O B:HOH2222 2.8 51.7 1.0 CD B:GLU282 2.9 30.7 1.0 OG B:SER281 3.2 24.2 0.5 C B:ASP278 3.6 21.6 1.0 O B:HOH2219 4.3 25.2 1.0 CG B:GLU282 4.4 28.0 1.0 CA B:ASP279 4.5 20.0 1.0 N B:ASP279 4.5 20.3 1.0 CA B:ASP278 4.5 21.7 1.0 CB B:SER281 4.6 24.4 0.5 CB B:SER281 4.6 24.4 0.5 O B:HOH2224 4.7 18.9 0.5 O B:HOH2225 4.7 31.8 0.5 O B:HOH2229 4.7 29.0 1.0 CB B:ASP278 4.8 21.8 1.0 O B:HOH2228 4.8 55.0 1.0 C B:ASP279 4.9 19.3 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