Magnesium in PDB 5dxo: Structure of Aspergillus Fumigatus Trehalose-6-Phosphate Phosphatase Crystal Form 3

All present enzymatic activity of Structure of Aspergillus Fumigatus Trehalose-6-Phosphate Phosphatase Crystal Form 3:
2.4.1.15;

The structure of Structure of Aspergillus Fumigatus Trehalose-6-Phosphate Phosphatase Crystal Form 3, PDB code: 5dxo was solved by Y.Miao, R.G.Brennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.77 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.963, 76.787, 83.686, 90.00, 94.35, 90.00
R / Rfree (%)	20.7 / 25

The binding sites of Magnesium atom in the Structure of Aspergillus Fumigatus Trehalose-6-Phosphate Phosphatase Crystal Form 3 (pdb code 5dxo). 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 Aspergillus Fumigatus Trehalose-6-Phosphate Phosphatase Crystal Form 3, PDB code: 5dxo:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Aspergillus Fumigatus Trehalose-6-Phosphate Phosphatase Crystal Form 3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Aspergillus Fumigatus Trehalose-6-Phosphate Phosphatase Crystal Form 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:37.5 occ:1.00 O A:HOH414 2.0 41.7 1.0 O A:ASP26 2.0 35.0 1.0 O A:HOH449 2.0 39.8 1.0 OD1 A:ASP215 2.1 42.7 1.0 O A:HOH478 2.1 39.7 1.0 OD2 A:ASP24 2.1 36.2 1.0 CG A:ASP24 3.0 37.7 1.0 CG A:ASP215 3.1 42.4 1.0 C A:ASP26 3.2 36.2 1.0 OD1 A:ASP24 3.3 37.9 1.0 OD2 A:ASP215 3.5 40.9 1.0 CA A:ASP26 4.0 37.4 1.0 OD2 A:ASP216 4.2 46.8 1.0 OG1 A:THR28 4.2 34.7 1.0 N A:GLY27 4.2 37.0 1.0 N A:ASP26 4.2 36.4 1.0 OD2 A:ASP219 4.2 39.3 1.0 CB A:ASP26 4.3 37.4 1.0 CA A:GLY27 4.4 39.1 1.0 CB A:ASP24 4.4 31.5 1.0 CB A:ASP215 4.5 37.9 1.0 CG A:ASP216 4.5 41.6 1.0 N A:ASP215 4.6 32.5 1.0 OD1 A:ASP216 4.7 45.3 1.0 C A:GLY27 4.7 37.6 1.0 C A:TYR25 4.8 38.1 1.0 N A:THR28 4.8 36.7 1.0 N A:ASP216 5.0 41.0 1.0

Magnesium binding site 2 out of 2 in the Structure of Aspergillus Fumigatus Trehalose-6-Phosphate Phosphatase Crystal Form 3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Aspergillus Fumigatus Trehalose-6-Phosphate Phosphatase Crystal Form 3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:37.2 occ:1.00 O B:HOH438 1.9 36.7 1.0 OD2 B:ASP24 2.0 36.8 1.0 O B:ASP26 2.1 35.5 1.0 OD1 B:ASP215 2.1 36.6 1.0 O B:HOH447 2.2 39.8 1.0 O B:HOH434 2.2 39.3 1.0 CG B:ASP24 2.9 34.9 1.0 CG B:ASP215 3.1 37.4 1.0 OD1 B:ASP24 3.2 35.2 1.0 C B:ASP26 3.3 36.3 1.0 OD2 B:ASP215 3.5 41.4 1.0 CA B:ASP26 4.0 36.4 1.0 N B:ASP26 4.1 38.9 1.0 OD2 B:ASP219 4.1 42.9 1.0 OG1 B:THR28 4.2 35.7 1.0 CB B:ASP24 4.2 31.2 1.0 CB B:ASP26 4.3 37.4 1.0 N B:GLY27 4.3 34.6 1.0 OD2 B:ASP216 4.5 47.7 1.0 CB B:ASP215 4.5 38.0 1.0 CA B:GLY27 4.5 35.2 1.0 N B:ASP215 4.6 34.2 1.0 CG B:ASP216 4.7 42.1 1.0 C B:TYR25 4.7 36.6 1.0 N B:THR28 4.8 36.7 1.0 C B:GLY27 4.8 36.9 1.0 NZ B:LYS188 4.8 43.0 1.0 OD1 B:ASP216 4.8 46.8 1.0 N B:TYR25 5.0 32.7 1.0

Y.Miao, J.L.Tenor, D.L.Toffaletti, E.J.Washington, J.Liu, W.R.Shadrick, M.A.Schumacher, R.E.Lee, J.R.Perfect, R.G.Brennan. Structures of Trehalose-6-Phosphate Phosphatase From Pathogenic Fungi Reveal the Mechanisms of Substrate Recognition and Catalysis. Proc.Natl.Acad.Sci.Usa V. 113 7148 2016.
ISSN: ESSN 1091-6490
PubMed: 27307435
DOI: 10.1073/PNAS.1601774113