Magnesium in PDB 9mhs: Drimenol Synthase

The structure of Drimenol Synthase, PDB code: 9mhs was solved by K.R.Osika, M.N.Gaynes, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.23 / 2.23
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	179.902, 76.253, 106.429, 90, 111.68, 90
R / Rfree (%)	20.6 / 25

The binding sites of Magnesium atom in the Drimenol Synthase (pdb code 9mhs). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Drimenol Synthase, PDB code: 9mhs:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Drimenol Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Drimenol Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg607 b:36.6 occ:1.00 O B:GLY35 2.1 38.2 1.0 OD2 B:ASP33 2.2 38.4 1.0 O B:HOH741 2.3 36.3 1.0 OD1 B:ASP186 2.4 37.9 1.0 O B:HOH769 2.4 38.8 1.0 O B:HOH785 2.5 39.2 1.0 C B:GLY35 3.1 39.7 1.0 CG B:ASP33 3.1 34.0 1.0 OD1 B:ASP33 3.4 31.4 1.0 CA B:GLY35 3.4 39.7 1.0 CG B:ASP186 3.5 38.6 1.0 N B:GLY35 3.7 41.1 1.0 OD2 B:ASP186 3.8 39.6 1.0 OD1 B:ASP185 4.2 36.5 1.0 N B:ASP36 4.2 42.8 1.0 O B:HOH762 4.5 27.7 1.0 CB B:ASP33 4.5 33.6 1.0 CB B:ASP36 4.6 39.9 1.0 C B:LEU34 4.6 36.3 1.0 CB B:ASP186 4.8 33.5 1.0 CG B:ASP185 4.8 34.0 1.0 CG2 B:VAL37 4.8 36.1 1.0 CA B:ASP36 4.8 42.6 1.0 OD2 B:ASP185 4.8 31.2 1.0 N B:ASP186 4.9 32.0 1.0 C B:ASP36 5.0 43.6 1.0 OD2 B:ASP36 5.0 54.1 1.0

Magnesium binding site 2 out of 2 in the Drimenol Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Drimenol Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg605 b:50.7 occ:1.00 OD2 A:ASP33 2.1 44.5 1.0 O A:GLY35 2.3 48.7 1.0 O A:HOH713 2.4 42.7 1.0 O A:HOH714 2.4 47.4 1.0 OD1 A:ASP186 2.6 46.0 1.0 CG A:ASP33 3.0 42.7 1.0 C A:GLY35 3.1 47.1 1.0 OD1 A:ASP33 3.1 40.3 1.0 CA A:GLY35 3.3 49.1 1.0 N A:GLY35 3.5 47.0 1.0 CG A:ASP186 3.7 43.0 1.0 OD2 A:ASP186 4.0 47.5 1.0 OD1 A:ASP185 4.2 41.3 1.0 N A:ASP36 4.3 49.5 1.0 CB A:ASP33 4.4 41.2 1.0 O A:HOH761 4.4 36.2 1.0 C A:LEU34 4.6 46.1 1.0 NZ A:LYS161 4.7 41.4 1.0 CB A:ASP36 4.8 46.3 1.0 CG A:ASP185 4.8 41.2 1.0 OD2 A:ASP185 4.8 39.5 1.0 CB A:ASP186 4.9 34.1 1.0 CA A:ASP36 5.0 49.4 1.0

K.R.Osika, M.N.Gaynes, D.W.Christianson. Crystal Structure and Catalytic Mechanism of Drimenol Synthase, An Unusual Bifunctional Terpene Cyclase-Phosphatase. Proc.Natl.Acad.Sci.Usa V. 122 84122 2025.
ISSN: ESSN 1091-6490
PubMed: 40569382
DOI: 10.1073/PNAS.2506584122