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

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

The structure of The Structure of Burkholderia Pseudomallei Trehalose-6-Phosphatase, PDB code: 6rcz 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 / 22.9

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

Chlorine

(Cl)

1 atom

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

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


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 Burkholderia Pseudomallei Trehalose-6-Phosphatase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:16.9 occ:1.00 O A:HOH431 2.0 16.7 1.0 O A:HOH459 2.1 20.7 1.0 OD1 A:ASP216 2.1 22.6 1.0 OD2 A:ASP37 2.1 21.4 1.0 O A:ASP39 2.1 21.4 1.0 O A:HOH422 2.1 22.2 1.0 CG A:ASP216 3.1 21.1 1.0 CG A:ASP37 3.1 21.5 1.0 C A:ASP39 3.3 20.6 1.0 OD2 A:ASP216 3.4 22.9 1.0 OD1 A:ASP37 3.5 22.2 1.0 OD2 A:ASP220 4.0 21.6 1.0 O A:HOH479 4.1 15.9 1.0 OG1 A:THR41 4.2 15.5 1.0 CA A:ASP39 4.2 22.5 1.0 O A:HOH402 4.2 32.0 1.0 N A:GLY40 4.2 20.1 1.0 O A:HOH500 4.3 42.9 1.0 N A:ASP39 4.3 19.4 1.0 CA A:GLY40 4.3 17.9 1.0 CB A:ASP39 4.4 24.6 1.0 CB A:ASP216 4.4 18.4 1.0 CB A:ASP37 4.4 19.0 1.0 CB A:ASP217 4.5 19.7 1.0 C A:GLY40 4.6 21.1 1.0 N A:ASP216 4.7 15.1 1.0 N A:THR41 4.7 18.4 1.0 N A:ASP217 4.8 18.7 1.0 O A:HOH401 4.8 15.1 1.0 C A:PHE38 4.9 18.9 1.0 CA A:ASP216 5.0 16.8 1.0 CG A:ASP220 5.0 16.5 1.0

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


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 Burkholderia Pseudomallei Trehalose-6-Phosphatase within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg301 b:23.8 occ:1.00 OD2 E:ASP37 1.9 29.7 1.0 O E:HOH414 2.0 23.5 1.0 OD1 E:ASP216 2.1 32.4 1.0 O E:ASP39 2.2 23.2 1.0 O E:HOH462 2.2 28.5 1.0 O E:HOH433 2.3 28.8 1.0 CG E:ASP37 2.9 27.8 1.0 CG E:ASP216 3.2 29.3 1.0 OD1 E:ASP37 3.2 27.9 1.0 C E:ASP39 3.4 20.9 1.0 OD2 E:ASP216 3.6 32.4 1.0 OD2 E:ASP220 4.0 24.7 1.0 O E:HOH468 4.0 45.0 1.0 OG1 E:THR41 4.1 22.0 1.0 O E:HOH445 4.1 32.9 1.0 CA E:ASP39 4.2 25.7 1.0 CB E:ASP37 4.2 22.7 1.0 N E:ASP39 4.3 28.6 1.0 OD2 E:ASP217 4.3 37.0 1.0 N E:GLY40 4.3 26.6 1.0 O E:HOH405 4.4 28.1 1.0 CB E:ASP39 4.4 32.8 1.0 CB E:ASP216 4.5 23.9 1.0 CA E:GLY40 4.5 27.0 1.0 CG E:ASP217 4.5 34.0 1.0 NZ E:LYS193 4.5 22.2 1.0 OD1 E:ASP217 4.6 33.6 1.0 N E:ASP216 4.6 21.9 1.0 N E:THR41 4.7 19.5 1.0 C E:GLY40 4.7 24.1 1.0 C E:PHE38 4.8 27.4 1.0 CG E:ASP220 4.9 28.1 1.0 N E:ASP217 4.9 25.3 1.0 N E:PHE38 4.9 16.2 1.0 CB E:THR41 4.9 16.8 1.0 O E:HOH413 5.0 51.6 1.0 OD1 E:ASP220 5.0 26.6 1.0 CA E:ASP216 5.0 21.8 1.0

S.Suthisawat, L.J.Gourlay, M.Bolognesi, U.Boonyuen, M.Vanaporn. 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
PubMed: 31973820
DOI: 10.1016/J.BBRC.2019.12.088