Calcium in PDB 2jke: Structure of A Family 97 Alpha-Glucosidase From Bacteroides Thetaiotaomicron in Complex with Deoxynojirimycin

All present enzymatic activity of Structure of A Family 97 Alpha-Glucosidase From Bacteroides Thetaiotaomicron in Complex with Deoxynojirimycin:
3.2.1.20;

The structure of Structure of A Family 97 Alpha-Glucosidase From Bacteroides Thetaiotaomicron in Complex with Deoxynojirimycin, PDB code: 2jke was solved by T.M.Gloster, J.P.Turkenburg, J.R.Potts, B.Henrissat, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.50 / 1.7
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	75.722, 112.244, 102.494, 90.00, 100.86, 90.00
R / Rfree (%)	15.5 / 18.7

The binding sites of Calcium atom in the Structure of A Family 97 Alpha-Glucosidase From Bacteroides Thetaiotaomicron in Complex with Deoxynojirimycin (pdb code 2jke). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of A Family 97 Alpha-Glucosidase From Bacteroides Thetaiotaomicron in Complex with Deoxynojirimycin, PDB code: 2jke:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of A Family 97 Alpha-Glucosidase From Bacteroides Thetaiotaomicron 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 Structure of A Family 97 Alpha-Glucosidase From Bacteroides Thetaiotaomicron in Complex with Deoxynojirimycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1728 b:11.4 occ:1.00 OE1 A:GLU526 2.2 14.2 1.0 OE2 A:GLU508 2.3 12.0 1.0 OE2 A:GLU532 2.3 14.3 1.0 O A:HOH2320 2.4 18.6 1.0 OE2 A:GLU194 2.4 16.4 1.0 O2 A:NOJ1727 2.4 13.0 1.0 CD A:GLU526 3.3 13.0 1.0 C1 A:NOJ1727 3.3 14.1 1.0 CD A:GLU532 3.4 16.0 1.0 C2 A:NOJ1727 3.4 12.7 1.0 CD A:GLU508 3.5 12.3 1.0 CD A:GLU194 3.6 11.5 1.0 OE2 A:GLU526 3.7 12.6 1.0 OE1 A:GLU532 3.8 16.9 1.0 O A:HOH2764 3.9 11.7 1.0 O A:HOH2759 3.9 12.0 1.0 O A:HOH2767 4.0 39.9 1.0 OE1 A:GLU194 4.2 19.2 1.0 CG A:GLU508 4.3 11.8 1.0 CD2 A:HIS507 4.4 7.2 1.0 OE1 A:GLU508 4.5 11.0 1.0 O A:HOH2318 4.5 30.4 1.0 CG A:GLU526 4.6 11.4 1.0 C3 A:NOJ1727 4.6 12.6 1.0 CG A:GLU194 4.6 11.0 1.0 CG A:GLU532 4.6 13.9 1.0 O A:HOH2960 4.7 14.1 1.0 N5 A:NOJ1727 4.8 13.3 1.0 CB A:HIS507 4.9 10.0 1.0 O A:HOH2662 5.0 12.7 1.0

Calcium binding site 2 out of 2 in the Structure of A Family 97 Alpha-Glucosidase From Bacteroides Thetaiotaomicron in Complex with Deoxynojirimycin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of A Family 97 Alpha-Glucosidase From Bacteroides Thetaiotaomicron in Complex with Deoxynojirimycin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1728 b:11.7 occ:1.00 OE1 B:GLU526 2.2 13.1 1.0 OE2 B:GLU508 2.3 12.6 1.0 OE2 B:GLU532 2.3 13.4 1.0 O B:HOH2315 2.4 7.7 0.5 OE2 B:GLU194 2.4 20.1 1.0 O2 B:NOJ1727 2.5 13.6 1.0 CD B:GLU526 3.3 12.7 1.0 C1 B:NOJ1727 3.3 14.2 1.0 CD B:GLU532 3.3 16.5 1.0 C2 B:NOJ1727 3.4 12.9 1.0 CD B:GLU508 3.5 14.1 1.0 CD B:GLU194 3.5 12.7 1.0 OE2 B:GLU526 3.7 13.7 1.0 OE1 B:GLU532 3.7 16.8 1.0 O B:HOH2753 3.8 24.7 0.5 O B:HOH2752 3.9 15.4 1.0 O B:HOH2745 4.0 12.1 1.0 OE1 B:GLU194 4.2 17.8 1.0 CG B:GLU508 4.3 11.2 1.0 CD2 B:HIS507 4.3 9.3 1.0 OE1 B:GLU508 4.5 12.4 1.0 O B:HOH2316 4.6 33.6 1.0 CG B:GLU194 4.6 13.9 1.0 C3 B:NOJ1727 4.6 13.3 1.0 CG B:GLU526 4.6 12.6 1.0 CG B:GLU532 4.6 14.4 1.0 O B:HOH2746 4.7 13.4 1.0 N5 B:NOJ1727 4.8 13.3 1.0 CB B:HIS507 4.9 10.7 1.0 CG B:HIS507 5.0 10.5 1.0

T.M.Gloster, J.P.Turkenburg, J.R.Potts, B.Henrissat, G.J.Davies. Divergence of Catalytic Mechanism Within A Glycosidase Family Provides Insight Into Evolution of Carbohydrate Metabolism By Human Gut Flora. Chem.Biol. V. 15 1058 2008.
ISSN: ISSN 1074-5521
PubMed: 18848471
DOI: 10.1016/J.CHEMBIOL.2008.09.005