Magnesium in PDB 8zgw: Drimenyl Diphosphate Synthase SSDMS_F248Y&D303E From Streptomyces Showdoensis in Complex with Farnesyl Diphosphate (Fpp) and MG2+

The structure of Drimenyl Diphosphate Synthase SSDMS_F248Y&D303E From Streptomyces Showdoensis in Complex with Farnesyl Diphosphate (Fpp) and MG2+, PDB code: 8zgw 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)	54.29 / 2.23
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	51.32, 113.88, 180.089, 90, 90, 90
R / Rfree (%)	18.9 / 24.5

The binding sites of Magnesium atom in the Drimenyl Diphosphate Synthase SSDMS_F248Y&D303E From Streptomyces Showdoensis in Complex with Farnesyl Diphosphate (Fpp) and MG2+ (pdb code 8zgw). 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_F248Y&D303E From Streptomyces Showdoensis in Complex with Farnesyl Diphosphate (Fpp) and MG2+, PDB code: 8zgw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Drimenyl Diphosphate Synthase SSDMS_F248Y&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_F248Y&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:53.0 occ:1.00 O1A A:FPP601 2.8 44.3 1.0 O2B A:FPP601 2.9 42.5 1.0 OE1 A:GLU169 2.9 37.1 1.0 CD1 A:LEU166 2.9 34.6 1.0 NH1 A:ARG132 3.2 49.7 1.0 CE A:MET136 3.5 32.3 1.0 SD A:MET136 3.7 61.6 1.0 NZ A:LYS133 3.8 44.6 1.0 CD A:GLU169 4.0 35.9 1.0 CB A:PRO500 4.1 32.0 1.0 PA A:FPP601 4.1 43.4 1.0 PB A:FPP601 4.1 40.8 1.0 CZ A:ARG132 4.2 50.7 1.0 O2A A:FPP601 4.2 45.8 1.0 CG A:LEU166 4.3 41.2 1.0 NH2 A:ARG132 4.3 45.9 1.0 CG A:PRO500 4.3 35.0 1.0 MG A:MG603 4.4 31.7 1.0 O3A A:FPP601 4.6 46.7 1.0 OE2 A:GLU169 4.7 34.3 1.0 CB A:LEU166 4.7 38.7 1.0 CA A:LEU166 4.8 36.0 1.0 CD2 A:LEU166 4.9 44.0 1.0 O3B A:FPP601 4.9 41.1 1.0 CA A:PRO500 5.0 32.0 1.0

Magnesium binding site 2 out of 2 in the Drimenyl Diphosphate Synthase SSDMS_F248Y&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_F248Y&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:31.7 occ:1.00 OE2 A:GLU169 2.4 34.3 1.0 O1A A:FPP601 2.9 44.3 1.0 OH A:TYR248 3.0 29.4 1.0 ND2 A:ASN208 3.2 25.8 1.0 CD A:GLU169 3.3 35.9 1.0 OE1 A:GLU169 3.3 37.1 1.0 CD1 A:TRP165 3.6 31.4 1.0 O1 A:FPP601 3.7 42.9 1.0 PA A:FPP601 3.7 43.4 1.0 NE1 A:TRP165 3.8 36.0 1.0 CZ A:TYR248 3.9 24.7 1.0 O2A A:FPP601 3.9 45.8 1.0 CE1 A:TYR248 3.9 24.7 1.0 CG A:PRO500 4.0 35.0 1.0 CG A:ASN208 4.0 21.2 1.0 OD1 A:ASN208 4.1 21.5 1.0 CD2 A:LEU210 4.1 22.0 1.0 CD A:PRO500 4.3 27.6 1.0 MG A:MG602 4.4 53.0 1.0 N A:PRO500 4.6 30.2 1.0 C1 A:FPP601 4.7 40.2 1.0 CG A:TRP165 4.7 35.6 1.0 CG A:GLU169 4.7 27.0 1.0 CB A:PRO500 4.8 32.0 1.0 CG A:LEU210 4.8 23.6 1.0 CB A:LEU210 4.9 17.9 1.0 CA A:PRO500 4.9 32.0 1.0

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