Calcium in PDB 2cho: Bacteroides Thetaiotaomicron Hexosaminidase with O- Glcnacase Activity

All present enzymatic activity of Bacteroides Thetaiotaomicron Hexosaminidase with O- Glcnacase Activity:
3.2.1.52;

The structure of Bacteroides Thetaiotaomicron Hexosaminidase with O- Glcnacase Activity, PDB code: 2cho was solved by R.J.Dennis, E.J.Taylor, M.S.Macauley, K.A.Stubbs, J.P.Turkenburg, S.J.Hart, G.N.Black, D.J.Vocadlo, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.74 / 1.85
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	51.685, 93.454, 98.828, 75.51, 94.15, 77.15
R / Rfree (%)	18 / 22

The binding sites of Calcium atom in the Bacteroides Thetaiotaomicron Hexosaminidase with O- Glcnacase Activity (pdb code 2cho). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Bacteroides Thetaiotaomicron Hexosaminidase with O- Glcnacase Activity, PDB code: 2cho:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Bacteroides Thetaiotaomicron Hexosaminidase with O- Glcnacase Activity


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bacteroides Thetaiotaomicron Hexosaminidase with O- Glcnacase Activity within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1717 b:38.3 occ:1.00 OE1 A:GLU61 2.4 27.2 1.0 O A:GLU32 2.4 27.4 1.0 OD2 A:ASP64 2.5 22.5 1.0 O A:HOH2035 2.5 41.5 1.0 OD1 A:ASP64 2.5 22.7 1.0 CG A:ASP64 2.9 23.8 1.0 O A:HOH2116 3.1 36.6 1.0 C A:GLU32 3.5 28.2 1.0 CD A:GLU61 3.6 25.1 1.0 CB A:GLU61 4.1 23.2 1.0 CA A:ALA33 4.2 25.5 1.0 N A:ALA33 4.2 26.9 1.0 CG A:GLU61 4.3 23.2 1.0 N A:GLU61 4.4 22.0 1.0 O A:HOH2061 4.4 31.1 1.0 CB A:ASP64 4.4 24.1 1.0 OE2 A:GLU61 4.4 22.7 1.0 CB A:GLU32 4.5 31.4 1.0 CA A:GLU32 4.5 30.5 1.0 O A:HOH2059 4.6 27.7 1.0 C A:ALA33 4.7 24.7 1.0 CA A:GLU61 4.8 22.8 1.0 N A:ASN34 4.9 23.6 1.0 O A:GLU61 5.0 23.8 1.0

Calcium binding site 2 out of 2 in the Bacteroides Thetaiotaomicron Hexosaminidase with O- Glcnacase Activity


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Bacteroides Thetaiotaomicron Hexosaminidase with O- Glcnacase Activity within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1716 b:34.8 occ:1.00 OE1 B:GLU61 2.3 22.8 1.0 O B:HOH2029 2.3 34.3 1.0 O B:GLU32 2.5 27.1 1.0 OD1 B:ASP64 2.6 28.1 1.0 OD2 B:ASP64 2.6 25.9 1.0 CG B:ASP64 2.9 26.0 1.0 CD B:GLU61 3.5 23.5 1.0 C B:GLU32 3.5 27.6 1.0 CA B:ALA33 4.1 24.6 1.0 CB B:GLU61 4.1 20.7 1.0 N B:ALA33 4.2 25.6 1.0 CG B:GLU61 4.2 21.7 1.0 OE2 B:GLU61 4.4 21.2 1.0 N B:GLU61 4.4 19.2 1.0 CB B:ASP64 4.4 24.8 1.0 CA B:GLU32 4.6 30.2 1.0 CB B:GLU32 4.6 31.0 1.0 O B:HOH2032 4.6 35.6 1.0 C B:ALA33 4.6 23.9 1.0 N B:ASN34 4.8 22.5 1.0 O B:HOH2051 4.8 24.6 1.0 CA B:GLU61 4.9 20.5 1.0

R.J.Dennis, E.J.Taylor, M.S.Macauley, K.A.Stubbs, J.P.Turkenburg, S.J.Hart, G.N.Black, D.J.Vocadlo, G.J.Davies. Structure and Mechanism of A Bacterial B- Glucosaminidase Having O-Glcnacase Activity Nat.Struct.Mol.Biol. V. 13 365 2006.
ISSN: ISSN 1545-9993
PubMed: 16565725
DOI: 10.1038/NSMB1079