Magnesium in PDB 7y88: Class I Diterpene Synthase (Cys-Ggpp-MG2+) From Streptomyces Cattleya

The structure of Class I Diterpene Synthase (Cys-Ggpp-MG2+) From Streptomyces Cattleya, PDB code: 7y88 was solved by B.Xing, M.Ma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.75 / 1.87
Space group	F 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	100.56, 113.137, 138.052, 90, 90, 90
R / Rfree (%)	18.1 / 20.5

The binding sites of Magnesium atom in the Class I Diterpene Synthase (Cys-Ggpp-MG2+) From Streptomyces Cattleya (pdb code 7y88). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Class I Diterpene Synthase (Cys-Ggpp-MG2+) From Streptomyces Cattleya, PDB code: 7y88:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Class I Diterpene Synthase (Cys-Ggpp-MG2+) From Streptomyces Cattleya


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Class I Diterpene Synthase (Cys-Ggpp-MG2+) From Streptomyces Cattleya within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:23.6 occ:1.00 OD1 A:ASP232 2.2 17.2 1.0 O2A A:GRG401 2.3 28.0 1.0 OG A:SER236 2.5 20.2 1.0 O2B A:GRG401 2.5 38.8 1.0 O A:HOH552 2.5 23.4 1.0 O3B A:GRG401 2.7 31.6 1.0 PB A:GRG401 3.0 35.5 1.0 CG A:ASP232 3.3 21.9 1.0 CB A:SER236 3.4 20.3 1.0 PA A:GRG401 3.4 34.8 1.0 O3A A:GRG401 3.6 37.2 1.0 OD2 A:ASP232 3.6 20.6 1.0 O A:HOH513 3.7 30.5 1.0 NH2 A:ARG186 3.7 16.1 1.0 O A:ASP232 3.9 15.4 1.0 O1 A:GRG401 4.0 35.1 1.0 O A:HOH601 4.1 35.7 1.0 C A:ASP232 4.3 16.8 1.0 OD1 A:ASP233 4.4 15.7 1.0 O1B A:GRG401 4.4 37.5 1.0 CB A:ASP232 4.6 15.2 1.0 N A:ASP233 4.6 15.8 1.0 O1A A:GRG401 4.6 41.6 1.0 CA A:ASP233 4.7 16.1 1.0 CA A:SER236 4.8 20.0 1.0 CZ A:ARG186 4.9 18.2 1.0

Magnesium binding site 2 out of 2 in the Class I Diterpene Synthase (Cys-Ggpp-MG2+) From Streptomyces Cattleya


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Class I Diterpene Synthase (Cys-Ggpp-MG2+) From Streptomyces Cattleya within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:53.0 occ:1.00 OD2 A:ASP89 2.6 43.3 1.0 O3A A:GRG401 2.7 37.2 1.0 NH2 A:ARG324 3.5 31.3 1.0 CG A:ASP89 3.5 42.1 1.0 O1B A:GRG401 3.5 37.5 1.0 PB A:GRG401 3.6 35.5 1.0 OD1 A:ASP89 3.7 48.2 1.0 O1A A:GRG401 3.7 41.6 1.0 PA A:GRG401 3.9 34.8 1.0 O2B A:GRG401 3.9 38.8 1.0 NZ A:LYS239 4.3 43.2 1.0 OD1 A:ASP90 4.3 49.2 1.0 O2A A:GRG401 4.7 28.0 1.0 CZ A:ARG324 4.8 28.7 1.0 C4 A:GRG401 4.8 37.7 1.0 CB A:ASP89 4.9 38.6 1.0 O3B A:GRG401 5.0 31.6 1.0

B.Xing, H.Xu, A.Li, T.Lou, M.Xu, K.Wang, Z.Xu, J.S.Dickschat, D.Yang, M.Ma. Crystal Structure Based Mutagenesis of Cattleyene Synthase Leads to the Generation of Rearranged Polycyclic Diterpenes. Angew.Chem.Int.Ed.Engl. V. 61 09785 2022.
ISSN: ESSN 1521-3773
PubMed: 35819825
DOI: 10.1002/ANIE.202209785