Magnesium in PDB 6dht: Bacteroides Ovatus GH9 BACOVA_02649

All present enzymatic activity of Bacteroides Ovatus GH9 BACOVA_02649:
3.2.1.151;

The structure of Bacteroides Ovatus GH9 BACOVA_02649, PDB code: 6dht was solved by N.M.Koropatkin, M.H.Foley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.74 / 1.42
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	130.646, 50.406, 95.980, 90.00, 109.00, 90.00
R / Rfree (%)	16.8 / 19.7

The structure of Bacteroides Ovatus GH9 BACOVA_02649 also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Magnesium atom in the Bacteroides Ovatus GH9 BACOVA_02649 (pdb code 6dht). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Bacteroides Ovatus GH9 BACOVA_02649, PDB code: 6dht:

Magnesium binding site 1 out of 1 in the Bacteroides Ovatus GH9 BACOVA_02649


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Bacteroides Ovatus GH9 BACOVA_02649 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg623 b:17.7 occ:1.00 O A:HOH951 2.0 22.0 1.0 O A:HOH942 2.1 20.4 1.0 O A:SER515 2.1 18.4 1.0 OD1 A:ASP518 2.1 19.5 1.0 O A:ILE520 2.1 20.0 1.0 O A:HOH811 2.1 17.2 1.0 CG A:ASP518 3.1 19.9 1.0 H A:ILE520 3.2 29.6 1.0 C A:SER515 3.3 17.8 1.0 C A:ILE520 3.3 18.8 1.0 OD2 A:ASP518 3.5 20.2 1.0 HA A:SER515 3.6 18.3 1.0 HB A:ILE520 3.6 26.3 1.0 HB3 A:SER515 3.8 19.0 1.0 N A:ILE520 3.8 24.7 1.0 CA A:SER515 3.9 15.2 1.0 CA A:ILE520 4.0 22.1 1.0 H A:ASP518 4.0 25.5 1.0 HA A:ALA516 4.1 21.2 1.0 O A:HOH1040 4.1 27.6 1.0 O A:ASP522 4.1 15.4 1.0 O A:ASP518 4.2 29.3 1.0 O A:GLU521 4.2 20.7 1.0 O A:HOH1070 4.2 40.2 1.0 HA A:PRO523 4.2 19.0 1.0 O A:HOH745 4.2 38.6 1.0 HA A:GLU521 4.3 24.8 1.0 CB A:ILE520 4.3 21.9 1.0 N A:ALA516 4.3 16.3 1.0 N A:GLU521 4.4 19.3 1.0 C A:ASP518 4.4 28.6 1.0 O A:HOH1124 4.4 35.5 1.0 CB A:SER515 4.4 15.8 1.0 C A:GLU521 4.4 20.6 1.0 CB A:ASP518 4.5 23.1 1.0 N A:ASP518 4.6 21.3 1.0 CA A:ALA516 4.6 17.6 1.0 CA A:GLU521 4.6 20.7 1.0 HG22 A:ILE520 4.6 26.4 1.0 CA A:ASP518 4.7 25.2 1.0 C A:ALA516 4.7 21.0 1.0 C A:ASP522 4.8 16.0 1.0 HA A:ILE520 4.9 26.5 1.0 N A:ASP519 4.9 32.6 1.0 HB2 A:ASP518 5.0 27.7 1.0 C A:ASP519 5.0 27.4 1.0 O A:ALA516 5.0 21.7 1.0

M.H.Foley, G.Dejean, G.R.Hemsworth, G.J.Davies, H.Brumer, N.M.Koropatkin. A Cell-Surface GH9 Endo-Glucanase Coordinates with Surface Glycan-Binding Proteins to Mediate Xyloglucan Uptake in the Gut Symbiont Bacteroides Ovatus. J. Mol. Biol. V. 431 981 2019.
ISSN: ESSN 1089-8638
PubMed: 30668971
DOI: 10.1016/J.JMB.2019.01.008