Magnesium in PDB 7p5o: Crystal Structure of Aspergillus Fumigatus Phosphoglucomutase in Complex with the Reaction Intermediate

The structure of Crystal Structure of Aspergillus Fumigatus Phosphoglucomutase in Complex with the Reaction Intermediate, PDB code: 7p5o was solved by O.G.Raimi, K.Yan, D.M.F.Van Aalten, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	89.20 / 2.48
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	98.57, 209.61, 61.2, 90, 90, 90
R / Rfree (%)	20.1 / 25.8

The binding sites of Magnesium atom in the Crystal Structure of Aspergillus Fumigatus Phosphoglucomutase in Complex with the Reaction Intermediate (pdb code 7p5o). 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 Aspergillus Fumigatus Phosphoglucomutase in Complex with the Reaction Intermediate, PDB code: 7p5o:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Aspergillus Fumigatus Phosphoglucomutase in Complex with the Reaction Intermediate


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 Aspergillus Fumigatus Phosphoglucomutase in Complex with the Reaction Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:14.8 occ:1.00 OD1 A:ASP283 2.0 34.4 1.0 OG A:SER114 2.0 31.4 1.0 OD2 A:ASP279 2.0 32.9 1.0 OD1 A:ASP281 2.1 33.5 1.0 O3P A:G16601 2.5 27.8 1.0 CG A:ASP283 2.7 32.4 1.0 OD2 A:ASP283 3.0 33.0 1.0 CG A:ASP279 3.0 34.9 1.0 CG A:ASP281 3.0 31.3 1.0 CB A:SER114 3.3 24.9 1.0 OD1 A:ASP279 3.3 41.6 1.0 OD2 A:ASP281 3.3 35.6 1.0 P A:G16601 3.3 34.5 1.0 O2P A:G16601 3.5 36.5 1.0 CA A:SER114 3.9 24.0 1.0 CD A:ARG284 3.9 32.5 1.0 CB A:ASP283 4.0 31.0 1.0 O1P A:G16601 4.1 30.9 1.0 N A:ASP283 4.1 29.7 1.0 NZ A:LYS379 4.4 39.3 1.0 CB A:ASP279 4.4 32.1 1.0 C A:SER114 4.4 22.0 1.0 N A:HIS115 4.4 27.0 1.0 CA A:ASP283 4.4 28.9 1.0 CB A:ASP281 4.4 27.9 1.0 NZ A:LYS127 4.4 33.5 1.0 N A:ARG284 4.5 24.3 1.0 CG A:ARG284 4.5 30.9 1.0 N A:ASP281 4.6 27.3 1.0 C A:ASP283 4.6 28.0 1.0 O6 A:G16601 4.7 30.8 1.0 N A:GLY282 4.8 27.9 1.0 CA A:ASP281 4.9 28.4 1.0 CB A:ARG284 4.9 25.7 1.0 C A:ASP281 4.9 26.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Aspergillus Fumigatus Phosphoglucomutase in Complex with the Reaction Intermediate


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 Aspergillus Fumigatus Phosphoglucomutase in Complex with the Reaction Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg602 b:20.1 occ:1.00 OG B:SER114 2.0 36.0 1.0 OD2 B:ASP279 2.0 41.3 1.0 OD1 B:ASP283 2.0 43.2 1.0 O3P B:G16601 2.2 40.3 1.0 OD1 B:ASP281 2.2 47.4 1.0 CG B:ASP283 2.7 39.4 1.0 CG B:ASP279 3.0 41.4 1.0 OD2 B:ASP283 3.0 44.3 1.0 CG B:ASP281 3.2 40.4 1.0 P B:G16601 3.2 45.8 1.0 CB B:SER114 3.3 33.9 1.0 OD1 B:ASP279 3.3 34.7 1.0 OD2 B:ASP281 3.5 42.0 1.0 O1P B:G16601 3.6 44.6 1.0 CD B:ARG284 3.8 33.1 1.0 CA B:SER114 3.9 31.5 1.0 O2P B:G16601 3.9 34.7 1.0 CB B:ASP283 4.0 36.2 1.0 N B:ASP283 4.2 31.5 1.0 NZ B:LYS379 4.3 42.1 1.0 CB B:ASP279 4.3 41.8 1.0 N B:HIS115 4.3 30.5 1.0 C B:SER114 4.4 28.6 1.0 N B:ARG284 4.4 32.9 1.0 CG B:ARG284 4.4 33.0 1.0 CA B:ASP283 4.4 31.8 1.0 CB B:ASP281 4.5 37.4 1.0 NZ B:LYS127 4.5 40.9 1.0 C B:ASP283 4.6 29.6 1.0 O6 B:G16601 4.7 37.1 1.0 N B:ASP281 4.7 36.6 1.0 CB B:ARG284 4.8 29.9 1.0 N B:GLY282 4.9 36.8 1.0 CA B:ASP281 5.0 36.4 1.0

K.Yan, M.Stanley, B.Kowalski, O.G.Raimi, A.T.Ferenbach, P.Z.Wei, H.Yuan, W.Fang, D.M.F.Van Aalten. Targeting An Essential Step in the Biosynthetic Pathway of Uridine Diphosphate Glucose in Aspergillus Fumigatus To Be Published.