Magnesium in PDB 4k7v: OYE1-W116A Complexed with (R)-Carvone

All present enzymatic activity of OYE1-W116A Complexed with (R)-Carvone:
1.6.99.1;

The structure of OYE1-W116A Complexed with (R)-Carvone, PDB code: 4k7v 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)	35.42 / 1.52
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	140.853, 140.853, 42.841, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 18.3

The structure of OYE1-W116A Complexed with (R)-Carvone also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Sodium	(Na)	2 atoms

The binding sites of Magnesium atom in the OYE1-W116A Complexed with (R)-Carvone (pdb code 4k7v). 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-W116A Complexed with (R)-Carvone, PDB code: 4k7v:

Magnesium binding site 1 out of 1 in the OYE1-W116A 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-W116A Complexed with (R)-Carvone within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:33.3 occ:0.48 O A:HOH956 2.1 32.1 0.5 O A:HOH932 2.1 36.1 1.0 O A:HOH931 2.2 31.6 1.0 O A:HOH939 2.2 34.2 0.5 O A:HOH783 3.8 37.4 1.0 O A:HOH562 3.9 26.9 1.0 O A:HOH778 4.1 34.7 1.0 HB2 A:ASP139 4.1 29.7 1.0 O A:HOH652 4.4 25.0 1.0 OD2 A:ASP139 4.4 29.9 1.0 HB2 A:PRO157 4.5 31.2 1.0 O A:GLN158 4.5 23.9 1.0 HG2 A:PRO157 4.7 34.9 1.0 CB A:ASP139 4.8 24.8 1.0 HA A:HIS159 4.8 22.3 1.0 CG A:ASP139 4.8 27.9 1.0 HB3 A:ASP139 4.9 29.7 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