Magnesium in PDB 4gxm: OYE1-W116L in Complex with Aromatic Product of R-Carvone Dismutation

All present enzymatic activity of OYE1-W116L in Complex with Aromatic Product of R-Carvone Dismutation:
1.6.99.1;

The structure of OYE1-W116L in Complex with Aromatic Product of R-Carvone Dismutation, PDB code: 4gxm 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)	34.23 / 1.36
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	141.120, 141.120, 42.920, 90.00, 90.00, 90.00
R / Rfree (%)	10.8 / 13.7

The structure of OYE1-W116L in Complex with Aromatic Product of R-Carvone Dismutation also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Sodium	(Na)	4 atoms

The binding sites of Magnesium atom in the OYE1-W116L in Complex with Aromatic Product of R-Carvone Dismutation (pdb code 4gxm). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the OYE1-W116L in Complex with Aromatic Product of R-Carvone Dismutation, PDB code: 4gxm:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the OYE1-W116L in Complex with Aromatic Product of R-Carvone Dismutation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of OYE1-W116L in Complex with Aromatic Product of R-Carvone Dismutation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:22.9 occ:1.00 O A:HOH1033 1.8 34.0 1.0 O A:HOH841 2.0 17.7 1.0 O A:HOH837 2.0 27.2 1.0 O A:HOH1006 2.1 23.8 1.0 O A:HOH852 2.1 22.6 1.0 O A:HOH840 2.6 25.4 1.0 O A:HOH878 3.8 24.8 1.0 OD1 A:ASP370 4.3 17.2 1.0 OD2 A:ASP370 4.3 13.6 1.0 OD2 A:ASP372 4.3 18.0 1.0 CG A:ASP370 4.7 14.6 1.0 CB A:ASP372 4.8 13.3 1.0 C15 A:1PE409 4.8 34.0 1.0

Magnesium binding site 2 out of 2 in the OYE1-W116L in Complex with Aromatic Product of R-Carvone Dismutation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of OYE1-W116L in Complex with Aromatic Product of R-Carvone Dismutation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg415 b:30.0 occ:0.50 O A:HOH862 2.0 14.3 1.0 O A:HOH867 2.1 15.2 0.5 O A:HOH853 2.1 17.6 1.0 O A:HOH869 2.1 18.1 0.5 O A:HOH863 4.0 18.0 1.0 O A:HOH623 4.0 13.8 1.0 O A:HOH865 4.2 15.5 1.0 O A:HOH656 4.4 13.9 1.0 OD2 A:ASP139 4.5 19.7 1.0 O A:GLN158 4.6 11.2 1.0 CB A:ASP139 4.9 14.6 1.0 CG A:ASP139 4.9 17.9 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