Magnesium in PDB 8hls: Crystal Structure of the Sialidase AM1547 From A.Muciniphila

The structure of Crystal Structure of the Sialidase AM1547 From A.Muciniphila, PDB code: 8hls was solved by B.Rui, T.Xinyue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.64 / 2.04
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.16, 56.771, 145.932, 90, 94.01, 90
R / Rfree (%)	18 / 22.3

The structure of Crystal Structure of the Sialidase AM1547 From A.Muciniphila also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Magnesium atom in the Crystal Structure of the Sialidase AM1547 From A.Muciniphila (pdb code 8hls). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the Sialidase AM1547 From A.Muciniphila, PDB code: 8hls:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Sialidase AM1547 From A.Muciniphila


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Sialidase AM1547 From A.Muciniphila within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg703 b:36.3 occ:1.00 OD1 A:ASP300 2.0 34.1 1.0 OE1 A:GLU289 2.1 35.9 1.0 O A:HOH874 2.1 36.0 1.0 O A:HOH843 2.2 34.6 1.0 O A:HOH821 2.3 29.1 1.0 OE1 A:GLU299 2.3 34.9 1.0 CD A:GLU289 3.0 42.6 1.0 CG A:ASP300 3.2 43.3 1.0 CD A:GLU299 3.3 43.7 1.0 OE2 A:GLU289 3.4 44.1 1.0 OE2 A:GLU299 3.6 34.4 1.0 OD2 A:ASP300 3.8 42.0 1.0 N A:ASP300 3.9 32.9 1.0 O A:HOH815 3.9 29.2 1.0 O A:VAL301 4.3 30.2 1.0 CG A:GLU289 4.3 31.4 1.0 CB A:ASP300 4.4 38.7 1.0 N A:TRP212 4.4 26.6 1.0 N A:VAL301 4.4 27.4 1.0 O A:VAL210 4.5 26.0 1.0 CA A:ARG211 4.6 23.5 1.0 CB A:ALA293 4.6 38.1 1.0 CA A:ASP300 4.6 36.3 1.0 CG A:GLU299 4.7 30.7 1.0 O A:ALA293 4.7 55.3 1.0 CA A:GLU299 4.8 29.1 1.0 C A:GLU299 4.9 31.3 1.0 C A:ARG211 5.0 25.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Sialidase AM1547 From A.Muciniphila


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Sialidase AM1547 From A.Muciniphila within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg703 b:32.7 occ:1.00 OD1 B:ASP300 2.0 38.3 1.0 O B:HOH842 2.1 30.6 1.0 OE1 B:GLU289 2.2 32.9 1.0 O B:HOH847 2.2 33.5 1.0 OE1 B:GLU299 2.2 39.1 1.0 O B:HOH813 2.3 26.8 1.0 CD B:GLU289 3.1 42.1 1.0 CG B:ASP300 3.2 47.5 1.0 CD B:GLU299 3.3 35.5 1.0 OE2 B:GLU289 3.3 45.9 1.0 OE2 B:GLU299 3.6 39.8 1.0 O B:HOH804 3.6 28.5 1.0 OD2 B:ASP300 3.7 43.9 1.0 N B:ASP300 3.9 36.4 1.0 O B:VAL301 4.2 31.1 1.0 N B:TRP212 4.4 27.0 1.0 CB B:ASP300 4.4 41.3 1.0 N B:VAL301 4.4 28.2 1.0 CG B:GLU289 4.4 27.9 1.0 O B:VAL210 4.5 26.4 1.0 CB B:ALA293 4.6 32.9 1.0 CA B:ARG211 4.6 28.8 1.0 CG B:GLU299 4.6 32.3 1.0 CA B:ASP300 4.6 36.6 1.0 O B:ALA293 4.7 57.1 1.0 CA B:GLU299 4.8 26.8 1.0 C B:GLU299 4.9 31.2 1.0 C B:ARG211 5.0 35.1 1.0

T.Xinyue, B.Rui. Structural Analysis of A Novel Sialidase From Akkermansia Muciniphila Reveals A Distinct Catalytic Motif in GH33 Family To Be Published.