Magnesium in PDB 4ge8: OYE1-W116I Complexed with (S)-Carvone

All present enzymatic activity of OYE1-W116I Complexed with (S)-Carvone:
1.6.99.1;

The structure of OYE1-W116I Complexed with (S)-Carvone, PDB code: 4ge8 was solved by 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)	24.17 / 1.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	140.928, 140.928, 42.484, 90.00, 90.00, 90.00
R / Rfree (%)	13.7 / 17

The structure of OYE1-W116I Complexed with (S)-Carvone also contains other interesting chemical elements:

Chlorine	(Cl)	3 atoms
Sodium	(Na)	4 atoms

The binding sites of Magnesium atom in the OYE1-W116I Complexed with (S)-Carvone (pdb code 4ge8). 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-W116I Complexed with (S)-Carvone, PDB code: 4ge8:

Magnesium binding site 1 out of 1 in the OYE1-W116I Complexed with (S)-Carvone


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of OYE1-W116I Complexed with (S)-Carvone within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:32.5 occ:1.00 O A:HOH919 1.9 27.4 1.0 O A:HOH900 2.0 32.2 1.0 O A:HOH937 2.1 46.5 1.0 O A:HOH938 2.1 26.0 1.0 O A:HOH918 2.4 36.4 1.0 OD2 A:ASP370 4.2 22.6 1.0 OD1 A:ASP370 4.2 26.1 1.0 OD2 A:ASP372 4.3 27.7 1.0 CG A:ASP370 4.6 22.4 1.0 CB A:ASP372 4.7 22.5 1.0 NE2 A:HIS380 4.9 23.1 1.0 OH4 A:1PE413 5.0 60.5 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