Calcium in PDB 4ur9: Structure of Ligand Bound Glycosylhydrolase

All present enzymatic activity of Structure of Ligand Bound Glycosylhydrolase:
3.2.1.169;

The structure of Structure of Ligand Bound Glycosylhydrolase, PDB code: 4ur9 was solved by J.F.Darby, J.Landstroem, C.Roth, Y.He, M.Schultz, G.J.Davies, R.E.Hubbard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.786 / 2.20
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.486, 162.735, 223.179, 90.00, 90.00, 90.00
R / Rfree (%)	22.15 / 25.2

The binding sites of Calcium atom in the Structure of Ligand Bound Glycosylhydrolase (pdb code 4ur9). 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 Structure of Ligand Bound Glycosylhydrolase, PDB code: 4ur9:

Calcium binding site 1 out of 1 in the Structure of Ligand Bound Glycosylhydrolase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Ligand Bound Glycosylhydrolase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1719 b:43.8 occ:1.00 O B:GLU32 2.3 46.1 1.0 O B:HOH2014 2.4 45.3 1.0 O B:HOH2028 2.4 33.5 1.0 OE1 B:GLU61 2.4 43.6 1.0 OD2 B:ASP64 2.5 54.4 1.0 O B:HOH2015 2.5 48.6 1.0 OD1 B:ASP64 2.7 50.3 1.0 CG B:ASP64 3.0 51.9 1.0 HB2 B:GLU61 3.1 46.6 1.0 HB2 B:GLU32 3.4 82.3 1.0 C B:GLU32 3.4 47.6 1.0 CD B:GLU61 3.6 41.5 1.0 H B:GLU61 3.6 42.8 1.0 HA B:ALA33 3.7 60.0 1.0 CB B:GLU61 4.0 38.8 1.0 O B:HOH2030 4.1 49.8 1.0 HG3 B:GLU32 4.1 82.4 1.0 CB B:GLU32 4.2 68.6 1.0 CG B:GLU61 4.2 40.4 1.0 N B:ALA33 4.3 42.8 1.0 CA B:GLU32 4.3 61.8 1.0 HG2 B:GLU61 4.3 48.4 1.0 CA B:ALA33 4.4 50.0 1.0 N B:GLU61 4.4 35.6 1.0 CB B:ASP64 4.5 50.7 1.0 HA B:GLU32 4.5 74.1 1.0 HG2 B:GLU97 4.6 56.4 1.0 OE2 B:GLU61 4.6 44.2 1.0 HB3 B:GLU61 4.7 46.6 1.0 CG B:GLU32 4.7 68.7 1.0 HB3 B:ASP64 4.8 60.9 1.0 CA B:GLU61 4.8 37.2 1.0 H B:ASN34 4.8 57.1 1.0 C B:ALA33 4.9 46.7 1.0 HB2 B:ASP64 4.9 60.9 1.0 HA2 B:GLY60 4.9 45.4 1.0 HB3 B:GLU32 5.0 82.3 1.0

J.F.Darby, J.Landstrom, C.Roth, Y.He, G.J.Davies, R.E.Hubbard. Discovery of Selective Small-Molecule Activators of A Bacterial Glycoside Hydrolase. Angew.Chem.Int.Ed.Engl. V. 53 13419 2014.
ISSN: ISSN 1433-7851
PubMed: 25291993
DOI: 10.1002/ANIE.201407081