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Calcium in PDB 2j7e: Beta-Glucosidase From Thermotoga Maritima in Complex with Methyl Acetate-Substituted Glucoimidazole

Enzymatic activity of Beta-Glucosidase From Thermotoga Maritima in Complex with Methyl Acetate-Substituted Glucoimidazole

All present enzymatic activity of Beta-Glucosidase From Thermotoga Maritima in Complex with Methyl Acetate-Substituted Glucoimidazole:
3.2.1.21;

Protein crystallography data

The structure of Beta-Glucosidase From Thermotoga Maritima in Complex with Methyl Acetate-Substituted Glucoimidazole, PDB code: 2j7e 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 / 2.19
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 94.166, 94.175, 113.255, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 25.2

Calcium Binding Sites:

The binding sites of Calcium atom in the Beta-Glucosidase From Thermotoga Maritima in Complex with Methyl Acetate-Substituted Glucoimidazole (pdb code 2j7e). 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 Methyl Acetate-Substituted Glucoimidazole, PDB code: 2j7e:

Calcium binding site 1 out of 1 in 2j7e

Go back to Calcium Binding Sites List in 2j7e
Calcium binding site 1 out of 1 in the Beta-Glucosidase From Thermotoga Maritima in Complex with Methyl Acetate-Substituted Glucoimidazole


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 Methyl Acetate-Substituted Glucoimidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1447

b:47.3
occ:1.00
 O B:ASP278 2.4 28.5 1.0
OE1 B:GLU282 2.6 41.1 1.0
OE2 B:GLU282 2.7 40.3 1.0
O B:HOH2162 3.0 41.1 1.0
CD B:GLU282 3.0 37.9 1.0
C B:ASP278 3.6 28.2 1.0
OG B:SER281 4.1 35.8 1.0
O B:HOH2159 4.2 24.2 1.0
CA B:ASP278 4.4 28.0 1.0
CG B:GLU282 4.5 34.3 1.0
N B:ASP279 4.6 27.8 1.0
CA B:ASP279 4.6 27.0 1.0
CB B:ASP278 4.7 28.1 1.0

Reference:

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
Page generated: Sat Dec 12 03:41:30 2020

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