Magnesium in PDB 6r5n: The Crystal Structure of Glycoside Hydrolase Bglx From P. Aeruginosa in Complex with 1-Deoxynojirimycin

The structure of The Crystal Structure of Glycoside Hydrolase Bglx From P. Aeruginosa in Complex with 1-Deoxynojirimycin, PDB code: 6r5n 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)	81.99 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.942, 86.882, 244.180, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 19.6

The binding sites of Magnesium atom in the The Crystal Structure of Glycoside Hydrolase Bglx From P. Aeruginosa in Complex with 1-Deoxynojirimycin (pdb code 6r5n). 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 From P. Aeruginosa in Complex with 1-Deoxynojirimycin, PDB code: 6r5n:
Jump to Magnesium binding site number: 1; 2;

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


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 From P. Aeruginosa in Complex with 1-Deoxynojirimycin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg803 b:15.6 occ:1.00 O B:HOH948 2.0 12.8 1.0 O B:HOH1068 2.1 12.2 1.0 O B:VAL694 2.1 16.4 1.0 O B:HOH1102 2.1 11.4 1.0 OD1 B:ASP692 2.1 16.4 1.0 O B:HOH1124 2.1 12.0 1.0 CG B:ASP692 3.1 16.7 1.0 C B:VAL694 3.2 14.9 1.0 OD2 B:ASP692 3.4 16.4 1.0 O B:GLU744 4.0 19.0 1.0 N B:VAL694 4.1 15.7 1.0 CA B:VAL694 4.1 16.1 1.0 N B:ALA695 4.1 15.1 1.0 CA B:ALA695 4.2 15.2 1.0 O B:PRO742 4.2 18.1 1.0 O B:GLU741 4.3 19.6 1.0 CB B:ALA695 4.3 14.8 1.0 O B:HOH1329 4.4 15.5 1.0 CB B:ASP692 4.5 16.1 1.0 CB B:VAL694 4.5 17.0 1.0 OE1 B:GLU741 4.5 19.7 1.0 CB B:GLU741 4.6 21.0 1.0 C B:ASP692 4.7 17.1 1.0 O B:HOH1189 4.7 17.6 1.0 CA B:ASP692 4.8 16.9 1.0 CA B:GLY743 4.8 17.6 1.0 CZ B:PHE745 4.9 16.5 1.0 O B:ASP692 4.9 17.4 1.0 C B:GLY743 4.9 17.4 1.0 C B:PRO742 4.9 19.1 1.0 C B:GLU741 4.9 20.6 1.0 N B:GLU744 4.9 16.6 1.0

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


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 From P. Aeruginosa in Complex with 1-Deoxynojirimycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg803 b:19.8 occ:1.00 OD1 A:ASP692 2.1 13.9 1.0 O A:HOH1148 2.1 17.8 1.0 O A:HOH954 2.1 13.3 1.0 O A:VAL694 2.1 17.4 1.0 O A:HOH1047 2.1 11.9 1.0 O A:HOH1082 2.2 17.9 1.0 CG A:ASP692 3.1 15.3 1.0 C A:VAL694 3.3 16.2 1.0 OD2 A:ASP692 3.4 15.3 1.0 O A:GLU744 3.9 20.9 1.0 N A:VAL694 4.1 17.0 1.0 CA A:VAL694 4.2 16.8 1.0 O A:HOH1257 4.2 17.1 1.0 N A:ALA695 4.2 16.2 1.0 O A:PRO742 4.2 23.2 1.0 O A:GLU741 4.2 23.8 1.0 CA A:ALA695 4.3 16.9 1.0 CB A:ALA695 4.4 16.9 1.0 CB A:ASP692 4.4 16.0 1.0 CB A:VAL694 4.5 18.1 1.0 OE1 A:GLU741 4.6 24.3 1.0 C A:ASP692 4.7 17.5 1.0 CA A:ASP692 4.7 17.7 1.0 CB A:GLU741 4.7 23.5 1.0 CA A:GLY743 4.8 22.4 1.0 CZ A:PHE745 4.8 19.1 1.0 N A:GLU744 4.8 23.4 1.0 C A:GLY743 4.8 22.4 1.0 C A:PRO742 4.9 23.2 1.0 O A:HOH1213 4.9 16.3 1.0 O A:ASP692 4.9 19.0 1.0 C A:GLU741 4.9 23.8 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