Magnesium in PDB 7nox: Structure of Sgbp BO2743 From Bacteroides Ovatus in Complex with Mixed-Linked Gluco-Nonasaccharide

The structure of Structure of Sgbp BO2743 From Bacteroides Ovatus in Complex with Mixed-Linked Gluco-Nonasaccharide, PDB code: 7nox was solved by V.C.Correia, F.Trovao, B.A.Pinheiro, A.S.Palma, A.L.Carvalho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.86 / 1.43
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.842, 88.437, 156.148, 90, 90, 90
R / Rfree (%)	16.2 / 19

The structure of Structure of Sgbp BO2743 From Bacteroides Ovatus in Complex with Mixed-Linked Gluco-Nonasaccharide also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Magnesium atom in the Structure of Sgbp BO2743 From Bacteroides Ovatus in Complex with Mixed-Linked Gluco-Nonasaccharide (pdb code 7nox). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Sgbp BO2743 From Bacteroides Ovatus in Complex with Mixed-Linked Gluco-Nonasaccharide, PDB code: 7nox:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Sgbp BO2743 From Bacteroides Ovatus in Complex with Mixed-Linked Gluco-Nonasaccharide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Sgbp BO2743 From Bacteroides Ovatus in Complex with Mixed-Linked Gluco-Nonasaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:17.0 occ:1.00 OD1 A:ASP555 2.0 18.7 1.0 O A:HOH934 2.0 18.3 1.0 O A:HOH734 2.0 16.7 1.0 O A:ARG492 2.1 15.4 1.0 O A:GLU557 2.1 23.5 1.0 O A:HOH973 2.1 18.2 1.0 CG A:ASP555 3.0 16.6 1.0 C A:ARG492 3.2 14.5 1.0 C A:GLU557 3.3 45.6 1.0 OD2 A:ASP555 3.4 16.0 1.0 CA A:ARG492 3.9 12.8 1.0 CA A:ASN558 4.0 47.0 1.0 O A:HOH998 4.1 24.1 1.0 N A:GLU557 4.1 29.7 1.0 N A:ASN558 4.2 34.9 1.0 N A:ARG493 4.3 12.7 1.0 CB A:ASP555 4.3 13.5 1.0 O A:HOH1131 4.4 39.3 1.0 CA A:GLU557 4.4 40.5 1.0 CB A:ASN558 4.4 42.0 1.0 O A:HOH1062 4.4 26.3 1.0 O A:ARG493 4.4 16.5 1.0 CB A:ARG492 4.4 12.8 1.0 CA A:ARG493 4.5 13.3 1.0 CA A:ASP555 4.6 13.1 1.0 C A:ARG493 4.6 13.3 1.0 O A:HOH1029 4.6 42.9 1.0 C A:ASP555 4.7 18.3 1.0 N A:THR556 4.7 21.9 1.0 O A:HOH1213 4.8 20.3 1.0 CD2 A:LEU551 4.8 18.1 1.0 CG A:GLU557 4.8 50.4 1.0 O A:VAL491 4.9 16.6 1.0 N A:GLY495 5.0 16.9 1.0

Magnesium binding site 2 out of 2 in the Structure of Sgbp BO2743 From Bacteroides Ovatus in Complex with Mixed-Linked Gluco-Nonasaccharide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Sgbp BO2743 From Bacteroides Ovatus in Complex with Mixed-Linked Gluco-Nonasaccharide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:16.6 occ:1.00 OD1 B:ASP555 2.0 18.4 1.0 O B:GLU557 2.0 21.0 1.0 O B:ARG492 2.0 14.8 1.0 O B:HOH895 2.1 21.8 1.0 O B:HOH914 2.1 19.2 1.0 O B:HOH754 2.2 20.3 1.0 CG B:ASP555 3.0 15.5 1.0 C B:ARG492 3.2 13.8 1.0 C B:GLU557 3.3 58.4 1.0 OD2 B:ASP555 3.4 17.0 1.0 CA B:ARG492 3.9 14.9 1.0 CA B:ASN558 3.9 57.1 1.0 N B:ASN558 4.0 48.2 1.0 N B:GLU557 4.1 39.7 1.0 O B:HOH896 4.2 23.8 1.0 N B:ARG493 4.2 13.0 1.0 CB B:ASP555 4.3 14.7 1.0 CA B:GLU557 4.3 51.9 1.0 O B:ARG493 4.4 13.9 1.0 CB B:ARG492 4.4 15.8 1.0 CA B:ARG493 4.5 13.3 1.0 N B:THR556 4.5 26.8 1.0 C B:ARG493 4.6 15.9 1.0 CA B:ASP555 4.6 14.2 1.0 O B:HOH947 4.6 23.1 1.0 O B:HOH1026 4.6 41.8 1.0 C B:ASP555 4.6 22.6 1.0 CB B:ASN558 4.7 57.1 1.0 CD2 B:LEU551 4.8 18.7 1.0 O B:VAL491 4.9 15.1 1.0 C B:ASN558 4.9 59.3 1.0 O B:HOH1109 4.9 22.0 1.0 N B:GLY495 5.0 15.6 1.0

V.C.Correia, F.Trovao, B.A.Pinheiro, A.S.Palma, A.L.Carvalho. Mapping Molecular Recognition of Beta 1,3/1,4 Glucans By A Surface Glycan Binding Protein From the Human Gut Symbiont Bacteroides Ovatus To Be Published.