Calcium in PDB 2xj7: BTGH84 in Complex with 6-Acetamido-6-Deoxy-Castanospermine

All present enzymatic activity of BTGH84 in Complex with 6-Acetamido-6-Deoxy-Castanospermine:
3.2.1.52;

The structure of BTGH84 in Complex with 6-Acetamido-6-Deoxy-Castanospermine, PDB code: 2xj7 was solved by Y.He, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.50 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	51.493, 93.981, 98.815, 104.13, 93.88, 103.13
R / Rfree (%)	20.288 / 23.914

The binding sites of Calcium atom in the BTGH84 in Complex with 6-Acetamido-6-Deoxy-Castanospermine (pdb code 2xj7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the BTGH84 in Complex with 6-Acetamido-6-Deoxy-Castanospermine, PDB code: 2xj7:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the BTGH84 in Complex with 6-Acetamido-6-Deoxy-Castanospermine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of BTGH84 in Complex with 6-Acetamido-6-Deoxy-Castanospermine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1716 b:54.5 occ:1.00 OE1 A:GLU61 2.3 35.4 1.0 O A:GLU32 2.3 45.2 1.0 OD2 A:ASP64 2.6 41.5 1.0 OD1 A:ASP64 2.9 48.0 1.0 CG A:ASP64 3.1 45.3 1.0 C A:GLU32 3.4 45.9 1.0 CD A:GLU61 3.5 36.8 1.0 CA A:ALA33 3.9 41.8 1.0 N A:ALA33 4.1 43.8 1.0 CG A:GLU61 4.3 34.4 1.0 CB A:GLU61 4.3 34.6 1.0 OE2 A:GLU61 4.5 32.4 1.0 C A:ALA33 4.5 40.6 1.0 CA A:GLU32 4.5 49.8 1.0 N A:GLU61 4.6 32.7 1.0 N A:ASN34 4.6 38.3 1.0 CB A:GLU32 4.6 50.9 1.0 CB A:ASP64 4.6 44.7 1.0 OE2 A:GLU32 4.7 65.3 1.0 OE2 A:GLU97 4.9 55.5 1.0

Calcium binding site 2 out of 2 in the BTGH84 in Complex with 6-Acetamido-6-Deoxy-Castanospermine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of BTGH84 in Complex with 6-Acetamido-6-Deoxy-Castanospermine within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1716 b:55.9 occ:1.00 OE1 B:GLU61 2.4 44.5 1.0 O B:GLU32 2.5 49.0 1.0 OD1 B:ASP64 2.6 49.7 1.0 OD2 B:ASP64 2.7 47.4 1.0 CG B:ASP64 3.0 48.2 1.0 CD B:GLU61 3.5 43.5 1.0 C B:GLU32 3.6 50.9 1.0 CB B:GLU61 4.0 41.2 1.0 CG B:GLU61 4.2 41.9 1.0 CA B:ALA33 4.2 45.8 1.0 N B:GLU61 4.3 41.2 1.0 N B:ALA33 4.3 49.0 1.0 OE2 B:GLU61 4.5 43.7 1.0 CB B:GLU32 4.5 55.3 1.0 CB B:ASP64 4.6 47.8 1.0 CA B:GLU32 4.6 54.2 1.0 C B:ALA33 4.7 44.5 1.0 CA B:GLU61 4.7 41.8 1.0 N B:ASN34 4.8 42.9 1.0

M.S.Macauley, Y.He, T.M.Gloster, K.A.Stubbs, G.J.Davies, D.J.Vocadlo. Inhibition of O-Glcnacase Using A Potent and Cell- Permeable Inhibitor Does Not Induce Insulin Resistance in 3T3-L1 Adipocytes. Chem.Biol. V. 17 937 2010.
ISSN: ISSN 1074-5521
PubMed: 20851343
DOI: 10.1016/J.CHEMBIOL.2010.07.006