Magnesium in PDB 6r5u: The Crystal Structure of Glycoside Hydrolase Bglx Inactive Mutant From P. Aeruginosa in Complex with Laminaritriose

The structure of The Crystal Structure of Glycoside Hydrolase Bglx Inactive Mutant From P. Aeruginosa in Complex with Laminaritriose, PDB code: 6r5u was solved by M.T.Batuecas, J.A.Hermoso, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.08 / 2.15
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	72.049, 74.429, 82.118, 65.63, 73.94, 69.46
R / Rfree (%)	23.6 / 27.6

The binding sites of Magnesium atom in the The Crystal Structure of Glycoside Hydrolase Bglx Inactive Mutant From P. Aeruginosa in Complex with Laminaritriose (pdb code 6r5u). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The Crystal Structure of Glycoside Hydrolase Bglx Inactive Mutant From P. Aeruginosa in Complex with Laminaritriose, PDB code: 6r5u:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The Crystal Structure of Glycoside Hydrolase Bglx Inactive Mutant From P. Aeruginosa in Complex with Laminaritriose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of Glycoside Hydrolase Bglx Inactive Mutant From P. Aeruginosa in Complex with Laminaritriose within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg801 b:23.7 occ:1.00 O B:HOH994 2.0 22.5 1.0 O B:VAL694 2.0 23.4 1.0 O B:HOH945 2.1 34.8 1.0 O B:HOH1040 2.1 27.8 1.0 O B:HOH1075 2.1 19.9 1.0 OD1 B:ASP692 2.2 20.8 1.0 CG B:ASP692 3.1 21.5 1.0 C B:VAL694 3.2 21.3 1.0 OD2 B:ASP692 3.4 21.1 1.0 N B:VAL694 4.1 22.8 1.0 O B:GLU744 4.1 18.9 1.0 CA B:VAL694 4.1 22.7 1.0 N B:ALA695 4.1 21.8 1.0 O B:PRO742 4.2 26.7 1.0 CA B:ALA695 4.2 21.6 1.0 CB B:ALA695 4.3 21.8 1.0 O B:GLU741 4.4 30.9 1.0 CB B:VAL694 4.4 24.7 1.0 OE1 B:GLU741 4.4 37.6 1.0 O B:HOH1162 4.5 17.4 1.0 O B:HOH1244 4.5 35.9 1.0 CB B:ASP692 4.5 21.9 1.0 CB B:GLU741 4.6 34.5 1.0 CZ B:PHE745 4.8 19.5 1.0 C B:ASP692 4.8 22.1 1.0 CA B:ASP692 4.8 22.9 1.0 CA B:GLY743 4.9 28.2 1.0 C B:PRO742 4.9 26.7 1.0 O B:HOH1113 4.9 24.0 1.0 N B:GLU744 4.9 26.6 1.0 C B:GLY743 4.9 28.8 1.0 C B:GLU741 5.0 32.2 1.0

Magnesium binding site 2 out of 2 in the The Crystal Structure of Glycoside Hydrolase Bglx Inactive Mutant From P. Aeruginosa in Complex with Laminaritriose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Crystal Structure of Glycoside Hydrolase Bglx Inactive Mutant From P. Aeruginosa in Complex with Laminaritriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg801 b:27.9 occ:1.00 O A:HOH977 1.9 23.7 1.0 O A:VAL694 2.1 24.8 1.0 O A:HOH987 2.1 29.4 1.0 OD1 A:ASP692 2.1 26.7 1.0 O A:HOH925 2.2 24.6 1.0 O A:HOH932 2.3 26.1 1.0 CG A:ASP692 3.1 27.1 1.0 C A:VAL694 3.3 25.5 1.0 OD2 A:ASP692 3.4 26.3 1.0 O A:GLU744 4.0 30.0 1.0 N A:VAL694 4.1 26.8 1.0 CA A:VAL694 4.1 26.9 1.0 N A:ALA695 4.2 25.1 1.0 CA A:ALA695 4.3 27.8 1.0 O A:PRO742 4.3 32.1 1.0 O A:HOH1173 4.4 28.3 1.0 CB A:ALA695 4.4 25.7 1.0 O A:GLU741 4.4 30.2 1.0 CB A:ASP692 4.4 27.4 1.0 CB A:VAL694 4.4 27.5 1.0 OE1 A:GLU741 4.5 31.6 1.0 C A:ASP692 4.7 25.7 1.0 CB A:GLU741 4.7 33.4 1.0 CA A:ASP692 4.7 26.6 1.0 CA A:GLY743 4.7 31.1 1.0 N A:GLU744 4.8 31.2 1.0 C A:GLY743 4.8 30.7 1.0 CZ A:PHE745 4.8 30.3 1.0 N A:PRO693 4.9 23.3 1.0 C A:PRO742 4.9 31.8 1.0

K.V.Mahasenan, M.T.Batuecas, S.De Benedetti, C.Kim, N.Rana, M.Lee, D.Hesek, J.F.Fisher, J.Sanz-Aparicio, J.A.Hermoso, S.Mobashery. Catalytic Cycle of Glycoside Hydrolase Bglx Frompseudomonas Aeruginosaand Its Implications For Biofilm Formation. Acs Chem.Biol. V. 15 189 2020.
ISSN: ESSN 1554-8937
PubMed: 31877028
DOI: 10.1021/ACSCHEMBIO.9B00754