Magnesium in PDB 5jp0: Bacteroides Ovatus Xyloglucan Pul GH3B with Bound Glucose

All present enzymatic activity of Bacteroides Ovatus Xyloglucan Pul GH3B with Bound Glucose:
3.2.1.21;

The structure of Bacteroides Ovatus Xyloglucan Pul GH3B with Bound Glucose, PDB code: 5jp0 was solved by G.R.Hemsworth, A.J.Thompson, J.Stepper, L.F.Sobala, T.Coyle, J.Larsbrink, O.Spadiut, K.A.Stubbs, H.Brumer, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.57 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	97.169, 104.068, 160.444, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 21.1

The binding sites of Magnesium atom in the Bacteroides Ovatus Xyloglucan Pul GH3B with Bound Glucose (pdb code 5jp0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Bacteroides Ovatus Xyloglucan Pul GH3B with Bound Glucose, PDB code: 5jp0:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Bacteroides Ovatus Xyloglucan Pul GH3B with Bound Glucose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Bacteroides Ovatus Xyloglucan Pul GH3B with Bound Glucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg802 b:27.9 occ:1.00 O A:VAL706 2.0 27.4 1.0 OD1 A:ASP704 2.1 22.2 1.0 O A:HOH930 2.1 28.1 1.0 O A:HOH910 2.1 27.1 1.0 O A:HOH1018 2.1 29.9 1.0 O A:HOH936 2.2 21.8 1.0 CG A:ASP704 3.1 24.9 1.0 C A:VAL706 3.2 26.5 1.0 OD2 A:ASP704 3.3 22.5 1.0 N A:VAL706 3.8 26.9 1.0 CA A:VAL706 4.0 25.9 1.0 N A:ALA707 4.1 24.6 1.0 O A:ASP756 4.2 27.2 1.0 CA A:ALA707 4.2 30.4 1.0 O A:LYS754 4.3 26.1 1.0 CB A:ALA707 4.3 25.5 1.0 CB A:ASP704 4.5 23.5 1.0 OE1 A:GLU753 4.5 28.1 1.0 CB A:VAL706 4.5 28.8 1.0 O A:GLU753 4.5 28.8 1.0 CA A:GLY755 4.5 24.7 1.0 N A:LEU705 4.6 28.2 1.0 CB A:GLU753 4.6 28.3 1.0 N A:ASP756 4.7 28.4 1.0 C A:GLY755 4.8 26.5 1.0 C A:ASP704 4.8 26.9 1.0 CZ A:PHE757 4.8 29.6 1.0 CA A:ASP704 4.8 27.0 1.0 O A:HOH1089 4.9 20.2 1.0

Magnesium binding site 2 out of 2 in the Bacteroides Ovatus Xyloglucan Pul GH3B with Bound Glucose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Bacteroides Ovatus Xyloglucan Pul GH3B with Bound Glucose within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg802 b:25.0 occ:1.00 O B:VAL706 2.1 32.6 1.0 O B:HOH913 2.1 22.6 1.0 O B:HOH1023 2.2 19.0 1.0 O B:HOH940 2.2 26.3 1.0 O B:HOH969 2.2 28.0 1.0 OD1 B:ASP704 2.2 25.5 1.0 CG B:ASP704 3.1 28.1 1.0 C B:VAL706 3.3 30.2 1.0 OD2 B:ASP704 3.3 23.4 1.0 N B:VAL706 4.0 29.8 1.0 O B:LYS754 4.2 27.2 1.0 CA B:VAL706 4.2 30.4 1.0 N B:ALA707 4.2 27.1 1.0 O B:HOH1076 4.3 28.3 1.0 CA B:ALA707 4.3 29.2 1.0 O B:GLU753 4.3 24.9 1.0 O B:ASP756 4.3 33.8 1.0 OE1 B:GLU753 4.4 24.1 1.0 CB B:ALA707 4.4 33.2 1.0 CB B:GLU753 4.4 29.0 1.0 CA B:GLY755 4.5 32.8 1.0 CB B:ASP704 4.6 24.1 1.0 CB B:VAL706 4.7 30.1 1.0 CZ B:PHE757 4.7 28.7 1.0 N B:LEU705 4.8 28.6 1.0 O B:HOH1131 4.8 28.2 1.0 C B:GLY755 4.8 33.8 1.0 N B:ASP756 4.8 31.4 1.0 C B:LYS754 4.9 31.3 1.0 C B:GLU753 4.9 28.9 1.0 C B:ASP704 5.0 26.4 1.0 CE1 B:PHE757 5.0 26.7 1.0

G.R.Hemsworth, A.J.Thompson, J.Stepper, F.Sobala, T.Coyle, J.Larsbrink, O.Spadiut, E.D.Goddard-Borger, K.A.Stubbs, H.Brumer, G.J.Davies. Structural Dissection of A Complex Bacteroides Ovatus Gene Locus Conferring Xyloglucan Metabolism in the Human Gut. Open Biology V. 6 2016.
ISSN: ESSN 2046-2441
PubMed: 27466444
DOI: 10.1098/RSOB.160142