Magnesium in PDB 8zgv: Drimenyl Diphosphate Synthase SSDMS_F248A&D303E From Streptomyces Showdoensis in Complex with Farnesyl Diphosphate (Fpp) and MG2+

The structure of Drimenyl Diphosphate Synthase SSDMS_F248A&D303E From Streptomyces Showdoensis in Complex with Farnesyl Diphosphate (Fpp) and MG2+, PDB code: 8zgv was solved by X.M.Pan, S.M.Dong, L.B.Dong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.25 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	51.48, 114.12, 180.739, 90, 90, 90
R / Rfree (%)	18.3 / 20.9

The binding sites of Magnesium atom in the Drimenyl Diphosphate Synthase SSDMS_F248A&D303E From Streptomyces Showdoensis in Complex with Farnesyl Diphosphate (Fpp) and MG2+ (pdb code 8zgv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Drimenyl Diphosphate Synthase SSDMS_F248A&D303E From Streptomyces Showdoensis in Complex with Farnesyl Diphosphate (Fpp) and MG2+, PDB code: 8zgv:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Drimenyl Diphosphate Synthase SSDMS_F248A&D303E From Streptomyces Showdoensis in Complex with Farnesyl Diphosphate (Fpp) and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Drimenyl Diphosphate Synthase SSDMS_F248A&D303E From Streptomyces Showdoensis in Complex with Farnesyl Diphosphate (Fpp) and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:32.9 occ:1.00 OE2 A:GLU169 2.6 21.5 1.0 C1 A:FPP601 2.6 41.4 1.0 ND2 A:ASN208 3.1 19.9 1.0 O1A A:FPP601 3.2 46.2 1.0 MG A:MG603 3.3 41.6 1.0 CD A:GLU169 3.5 22.7 1.0 C2 A:FPP601 3.5 38.2 1.0 OD1 A:ASN208 3.6 15.0 1.0 OE1 A:GLU169 3.6 23.0 1.0 O1 A:FPP601 3.7 46.8 1.0 CG A:ASN208 3.7 16.7 1.0 CG A:PRO500 4.1 29.6 1.0 PA A:FPP601 4.1 58.9 1.0 CD2 A:LEU210 4.1 18.1 1.0 CD A:PRO500 4.2 23.1 1.0 C3 A:FPP601 4.4 36.8 1.0 N A:PRO500 4.5 21.9 1.0 CB A:LEU210 4.6 13.9 1.0 CB A:TRP165 4.7 21.2 1.0 O A:HOH754 4.7 17.0 1.0 C4 A:FPP601 4.8 32.6 1.0 CG A:LEU210 4.8 14.5 1.0 CG A:GLU169 4.9 14.5 1.0 C A:GLY499 5.0 23.0 1.0

Magnesium binding site 2 out of 2 in the Drimenyl Diphosphate Synthase SSDMS_F248A&D303E From Streptomyces Showdoensis in Complex with Farnesyl Diphosphate (Fpp) and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Drimenyl Diphosphate Synthase SSDMS_F248A&D303E From Streptomyces Showdoensis in Complex with Farnesyl Diphosphate (Fpp) and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:41.6 occ:1.00 OE1 A:GLU169 2.5 23.0 1.0 O1A A:FPP601 2.5 46.2 1.0 O3B A:FPP601 3.1 50.6 1.0 OE1 A:GLN163 3.3 44.7 1.0 MG A:MG602 3.3 32.9 1.0 CD A:GLU169 3.5 22.7 1.0 PA A:FPP601 3.7 58.9 1.0 CG A:PRO500 3.8 29.6 1.0 OE2 A:GLU169 3.8 21.5 1.0 CB A:PRO500 3.9 25.1 1.0 CD1 A:LEU166 3.9 27.6 1.0 CE A:MET136 3.9 29.8 1.0 O3A A:FPP601 4.1 48.7 1.0 PB A:FPP601 4.1 50.4 1.0 CA A:LEU166 4.2 21.5 1.0 CB A:LEU166 4.2 23.6 1.0 CD A:GLN163 4.4 42.0 1.0 C1 A:FPP601 4.4 41.4 1.0 CA A:PRO500 4.4 25.7 1.0 N A:LEU166 4.5 18.5 1.0 O1 A:FPP601 4.6 46.8 1.0 CG A:LEU166 4.7 29.4 1.0 O2A A:FPP601 4.7 49.8 1.0 O1B A:FPP601 4.8 56.1 1.0 CG A:GLU169 4.8 14.5 1.0 NE2 A:GLN163 4.9 44.5 1.0 CD A:PRO500 4.9 23.1 1.0 SD A:MET136 4.9 36.3 1.0 N A:PRO500 4.9 21.9 1.0 C A:TRP165 4.9 18.4 1.0

X.M.Pan, S.M.Dong, L.B.Dong. Catalytic Bases in Class II Terpene Cyclases To Be Published.