Magnesium in PDB 4gbu: OYE1-W116A in Complex with Aromatic Product of S-Carvone Dismutation

All present enzymatic activity of OYE1-W116A in Complex with Aromatic Product of S-Carvone Dismutation:
1.6.99.1;

The structure of OYE1-W116A in Complex with Aromatic Product of S-Carvone Dismutation, PDB code: 4gbu 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)	21.04 / 1.18
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	141.121, 141.121, 42.813, 90.00, 90.00, 90.00
R / Rfree (%)	10 / 12.1

The structure of OYE1-W116A in Complex with Aromatic Product of S-Carvone Dismutation also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Sodium	(Na)	5 atoms

The binding sites of Magnesium atom in the OYE1-W116A in Complex with Aromatic Product of S-Carvone Dismutation (pdb code 4gbu). 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-W116A in Complex with Aromatic Product of S-Carvone Dismutation, PDB code: 4gbu:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the OYE1-W116A in Complex with Aromatic Product of S-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-W116A in Complex with Aromatic Product of S-Carvone Dismutation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:24.0 occ:1.00 O A:HOH1090 2.4 23.2 1.0 OD2 A:ASP370 4.2 13.7 1.0 OD1 A:ASP370 4.3 19.4 1.0 OD2 A:ASP372 4.5 19.1 1.0 CG A:ASP370 4.7 14.4 1.0 CB A:ASP372 4.9 13.9 1.0 NE2 A:HIS380 4.9 13.9 1.0 C24 A:1PE415 4.9 34.6 1.0 C13 A:1PE415 5.0 29.9 1.0

Magnesium binding site 2 out of 2 in the OYE1-W116A in Complex with Aromatic Product of S-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-W116A in Complex with Aromatic Product of S-Carvone Dismutation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg407 b:8.1 occ:0.20 O A:HOH1152 2.0 30.0 0.5 O A:HOH1151 2.1 30.0 1.0 O A:HOH1154 2.1 30.0 0.5 O A:HOH1153 2.1 30.0 1.0 O A:HOH790 3.9 21.8 1.0 O A:HOH628 4.0 15.1 1.0 O A:HOH731 4.1 20.1 1.0 OD2 A:ASP139 4.4 21.0 1.0 O A:HOH663 4.5 15.6 1.0 O A:GLN158 4.6 11.5 1.0 CB A:ASP139 4.9 15.5 1.0 CG A:ASP139 5.0 17.1 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