Magnesium in PDB 3txz: OYE1-W116Q Complexed with R-Carvone

All present enzymatic activity of OYE1-W116Q Complexed with R-Carvone:
1.6.99.1;

The structure of OYE1-W116Q Complexed with R-Carvone, PDB code: 3txz was solved by B.Sullivan, Y.A.Pompeu, J.D.Stewart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.00 / 1.70
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	141.362, 141.362, 42.687, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 18.6

The binding sites of Magnesium atom in the OYE1-W116Q Complexed with R-Carvone (pdb code 3txz). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the OYE1-W116Q Complexed with R-Carvone, PDB code: 3txz:

Magnesium binding site 1 out of 1 in the OYE1-W116Q Complexed with R-Carvone


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of OYE1-W116Q Complexed with R-Carvone within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:38.8 occ:1.00 O A:HOH716 2.5 31.7 1.0 O A:HOH717 2.6 40.3 1.0 O A:HOH714 2.6 28.9 1.0 O A:HOH713 2.6 33.0 1.0 O A:HOH767 2.8 49.8 1.0 O A:HOH715 2.9 37.6 1.0 O A:HOH694 4.1 30.4 1.0 OD1 A:ASP370 4.3 28.4 1.0 OD2 A:ASP370 4.3 27.0 1.0 OD2 A:ASP372 4.4 33.0 1.0 CG A:ASP370 4.7 29.1 1.0 CB A:ASP372 4.8 23.9 1.0

Y.A.Pompeu, B.Sullivan, J.D.Stewart. X‑Ray Crystallography Reveals How Subtle Changes Control the Orientation of Substrate Binding in An Alkene Reductase Acs Catalysis V. 3 2376 2013.
ISSN: ESSN 2155-5435
DOI: 10.1021/CS400622E