Calcium in PDB 2jka: Native Structure of A Family 97 Alpha-Glucosidase From Bacteroides Thetaiotaomicron

All present enzymatic activity of Native Structure of A Family 97 Alpha-Glucosidase From Bacteroides Thetaiotaomicron:
3.2.1.20;

The structure of Native Structure of A Family 97 Alpha-Glucosidase From Bacteroides Thetaiotaomicron, PDB code: 2jka 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)	14.94 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	75.629, 111.554, 102.442, 90.00, 100.85, 90.00
R / Rfree (%)	15.4 / 20.3

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

Calcium binding site 1 out of 2 in the Native Structure of A Family 97 Alpha-Glucosidase From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Native Structure of A Family 97 Alpha-Glucosidase From Bacteroides Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1727 b:15.2 occ:1.00 OE2 A:GLU508 2.3 13.6 1.0 O A:HOH2682 2.4 13.9 1.0 OE1 A:GLU526 2.4 14.0 1.0 OE2 A:GLU532 2.4 15.8 1.0 O1 A:EDO1728 2.5 13.4 1.0 OE2 A:GLU194 2.5 13.2 1.0 O2 A:EDO1728 2.5 17.8 1.0 C2 A:EDO1728 3.4 15.8 1.0 CD A:GLU532 3.4 16.5 1.0 CD A:GLU526 3.4 15.8 1.0 CD A:GLU508 3.5 13.3 1.0 C1 A:EDO1728 3.5 13.4 1.0 CD A:GLU194 3.6 13.0 1.0 OE1 A:GLU532 3.8 17.6 1.0 OE2 A:GLU526 3.8 14.5 1.0 O A:HOH2703 4.0 9.5 1.0 OE1 A:GLU194 4.0 14.9 1.0 O A:HOH2697 4.0 12.9 1.0 O A:HOH2683 4.2 12.9 1.0 ND1 A:HIS507 4.3 11.8 1.0 CG A:GLU508 4.3 10.1 1.0 OE1 A:GLU508 4.4 8.9 1.0 O A:HOH2875 4.6 19.7 1.0 CG A:GLU526 4.7 12.7 1.0 CG A:GLU532 4.8 14.5 1.0 O A:HOH2698 4.8 17.0 1.0 CG2 A:VAL471 4.8 12.0 1.0 CG A:GLU194 4.8 10.4 1.0 CB A:HIS507 4.9 10.7 1.0 O A:HOH2874 4.9 44.4 1.0

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Native Structure of A Family 97 Alpha-Glucosidase From Bacteroides Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1727 b:13.8 occ:1.00 OE2 B:GLU508 2.3 12.4 1.0 OE2 B:GLU532 2.4 16.0 1.0 O B:HOH2666 2.4 18.7 1.0 OE1 B:GLU526 2.4 16.0 1.0 OE2 B:GLU194 2.4 18.8 1.0 O2 B:EDO1728 2.5 18.7 1.0 O1 B:EDO1728 2.6 21.9 1.0 CD B:GLU532 3.4 18.6 1.0 CD B:GLU526 3.4 16.8 1.0 C1 B:EDO1728 3.5 19.1 1.0 CD B:GLU194 3.5 15.1 1.0 CD B:GLU508 3.6 14.1 1.0 C2 B:EDO1728 3.6 20.9 1.0 OE1 B:GLU532 3.7 15.4 1.0 OE2 B:GLU526 3.8 15.9 1.0 OE1 B:GLU194 3.9 15.3 1.0 O B:HOH2686 4.0 15.2 1.0 O B:HOH2681 4.1 13.4 1.0 ND1 B:HIS507 4.3 10.8 1.0 O B:HOH2667 4.4 13.2 1.0 OE1 B:GLU508 4.4 14.2 1.0 CG B:GLU508 4.5 11.5 1.0 O B:HOH2866 4.7 29.1 1.0 CG2 B:VAL471 4.8 12.6 1.0 CG B:GLU526 4.8 13.9 1.0 CG B:GLU532 4.8 14.2 1.0 CG B:GLU194 4.8 13.2 1.0 O B:HOH2680 4.8 21.8 1.0 CB B:HIS507 4.8 11.2 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