Magnesium in PDB 6qj6: The Structure of Trehalose-6-Phosphatase From Burkholderia Pseudomallei

All present enzymatic activity of The Structure of Trehalose-6-Phosphatase From Burkholderia Pseudomallei:
3.1.3.12;

The structure of The Structure of Trehalose-6-Phosphatase From Burkholderia Pseudomallei, PDB code: 6qj6 was solved by L.J.Gourlay, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.68 / 1.74
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.926, 83.843, 84.978, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 23.3

The structure of The Structure of Trehalose-6-Phosphatase From Burkholderia Pseudomallei also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the The Structure of Trehalose-6-Phosphatase From Burkholderia Pseudomallei (pdb code 6qj6). 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 Structure of Trehalose-6-Phosphatase From Burkholderia Pseudomallei, PDB code: 6qj6:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The Structure of Trehalose-6-Phosphatase From Burkholderia Pseudomallei


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Structure of Trehalose-6-Phosphatase From Burkholderia Pseudomallei within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:18.6 occ:1.00 O A:HOH430 2.0 16.6 1.0 OD1 A:ASP216 2.1 21.5 1.0 OD2 A:ASP37 2.1 21.1 1.0 O A:HOH466 2.1 21.7 1.0 O A:ASP39 2.1 21.3 1.0 O A:HOH423 2.1 23.2 1.0 CG A:ASP216 3.1 21.1 1.0 CG A:ASP37 3.1 22.4 1.0 C A:ASP39 3.3 21.3 1.0 OD2 A:ASP216 3.5 23.2 1.0 OD1 A:ASP37 3.5 23.3 1.0 OD2 A:ASP220 4.0 23.4 1.0 O A:HOH478 4.2 14.9 1.0 OG1 A:THR41 4.2 15.3 1.0 CA A:ASP39 4.2 22.9 1.0 O A:HOH402 4.2 34.6 1.0 N A:GLY40 4.3 20.6 1.0 O A:HOH501 4.3 36.3 1.0 N A:ASP39 4.4 19.4 1.0 CA A:GLY40 4.4 17.3 1.0 CB A:ASP37 4.4 19.3 1.0 CB A:ASP39 4.4 24.4 1.0 CB A:ASP216 4.4 18.1 1.0 CB A:ASP217 4.4 18.1 1.0 C A:GLY40 4.7 20.9 1.0 N A:ASP216 4.7 14.4 1.0 N A:THR41 4.7 18.1 1.0 N A:ASP217 4.8 18.1 1.0 O A:HOH401 4.8 16.5 1.0 C A:PHE38 4.9 20.3 1.0 CA A:ASP216 5.0 16.5 1.0 CG A:ASP220 5.0 15.9 1.0

Magnesium binding site 2 out of 2 in the The Structure of Trehalose-6-Phosphatase From Burkholderia Pseudomallei


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Structure of Trehalose-6-Phosphatase From Burkholderia Pseudomallei within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg301 b:24.8 occ:1.00 OD2 E:ASP37 2.0 29.0 1.0 O E:HOH412 2.0 25.1 1.0 OD1 E:ASP216 2.1 32.1 1.0 O E:ASP39 2.2 21.6 1.0 O E:HOH459 2.2 29.4 1.0 O E:HOH431 2.3 30.2 1.0 CG E:ASP37 2.9 28.2 1.0 CG E:ASP216 3.2 26.7 1.0 OD1 E:ASP37 3.2 27.2 1.0 C E:ASP39 3.3 18.3 1.0 OD2 E:ASP216 3.6 32.5 1.0 OD2 E:ASP220 4.0 23.8 1.0 O E:HOH466 4.0 44.0 1.0 OG1 E:THR41 4.1 23.2 1.0 O E:HOH441 4.1 32.0 1.0 CA E:ASP39 4.2 24.1 1.0 N E:ASP39 4.2 29.1 1.0 CB E:ASP37 4.2 23.1 1.0 N E:GLY40 4.3 27.8 1.0 OD2 E:ASP217 4.3 38.1 1.0 O E:HOH406 4.4 27.8 1.0 CB E:ASP39 4.4 31.6 1.0 CA E:GLY40 4.5 28.4 1.0 CB E:ASP216 4.5 22.1 1.0 CG E:ASP217 4.5 34.2 1.0 NZ E:LYS193 4.6 22.1 1.0 N E:THR41 4.7 19.2 1.0 OD1 E:ASP217 4.7 33.5 1.0 N E:ASP216 4.7 23.4 1.0 C E:GLY40 4.7 25.1 1.0 C E:PHE38 4.8 28.8 1.0 CG E:ASP220 4.9 30.6 1.0 N E:PHE38 4.9 15.8 1.0 CB E:THR41 4.9 15.9 1.0 N E:ASP217 5.0 25.1 1.0 O E:HOH413 5.0 46.9 1.0 OD1 E:ASP220 5.0 26.2 1.0

S.Suthisawata, L.J.Gourlay, M.Bolognesi, U.Boonyuend, M.Vanaporna. Functional and Structural Analysis of Trehalose-6-Phosphate Phosphatase From Burkholderia Pseudomallei: Insights Into the Catalytic Mechanism Biochem.Biophys.Res.Commun. 2020.
ISSN: ESSN 1090-2104