Calcium in PDB 2chn: Bacteroides Thetaiotaomicron Hexosaminidase with O-Glcnacase Activity- Nag-Thiazoline Complex

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

The structure of Bacteroides Thetaiotaomicron Hexosaminidase with O-Glcnacase Activity- Nag-Thiazoline Complex, PDB code: 2chn 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)	39.84 / 1.95
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	51.714, 94.544, 99.479, 75.34, 93.86, 77.07
R / Rfree (%)	18.5 / 22.6

The binding sites of Calcium atom in the Bacteroides Thetaiotaomicron Hexosaminidase with O-Glcnacase Activity- Nag-Thiazoline Complex (pdb code 2chn). 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- Nag-Thiazoline Complex, PDB code: 2chn:
Jump to Calcium binding site number: 1; 2;

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


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- Nag-Thiazoline Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1717 b:42.9 occ:1.00 O A:GLU32 2.4 35.0 1.0 OE1 A:GLU61 2.4 33.6 1.0 O A:HOH2047 2.5 40.5 1.0 O A:HOH2031 2.5 40.2 1.0 OD1 A:ASP64 2.7 31.9 1.0 OD2 A:ASP64 2.7 30.6 1.0 CG A:ASP64 3.1 32.2 1.0 O A:HOH2104 3.2 53.6 1.0 C A:GLU32 3.5 36.2 1.0 CD A:GLU61 3.6 31.2 1.0 CB A:GLU61 4.1 28.9 1.0 CA A:ALA33 4.2 33.2 1.0 N A:ALA33 4.3 34.6 1.0 CG A:GLU61 4.3 30.2 1.0 O A:HOH2058 4.4 49.5 1.0 N A:GLU61 4.4 27.8 1.0 O A:HOH2055 4.5 44.1 1.0 OE2 A:GLU61 4.6 30.6 1.0 CA A:GLU32 4.6 38.7 1.0 CB A:GLU32 4.6 39.4 1.0 CB A:ASP64 4.6 33.4 1.0 O A:HOH2057 4.6 35.5 1.0 C A:ALA33 4.7 32.3 1.0 CA A:GLU61 4.8 29.2 1.0 N A:ASN34 4.9 31.4 1.0

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


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- Nag-Thiazoline Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1716 b:44.2 occ:1.00 O B:HOH2047 2.3 43.5 1.0 O B:GLU32 2.4 35.8 1.0 OE1 B:GLU61 2.4 33.6 1.0 OD2 B:ASP64 2.4 36.3 1.0 O B:HOH2027 2.5 36.6 1.0 OD1 B:ASP64 2.6 32.8 1.0 O B:HOH2046 2.7 47.1 1.0 CG B:ASP64 2.9 34.6 1.0 C B:GLU32 3.5 37.0 1.0 CD B:GLU61 3.6 31.8 1.0 CB B:GLU61 4.0 29.0 1.0 CA B:ALA33 4.1 34.4 1.0 CG B:GLU61 4.2 30.8 1.0 N B:ALA33 4.2 35.0 1.0 N B:GLU61 4.4 27.7 1.0 CB B:ASP64 4.4 34.2 1.0 OE2 B:GLU61 4.5 32.3 1.0 CA B:GLU32 4.6 39.1 1.0 C B:ALA33 4.6 33.3 1.0 CB B:GLU32 4.7 40.2 1.0 CA B:GLU61 4.8 28.9 1.0 O B:HOH2060 4.8 36.2 1.0 O B:HOH2029 4.8 47.5 1.0 N B:ASN34 4.9 32.2 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