Magnesium in PDB 5xk8: Crystal Structure of Isosesquilavandulyl Diphosphate Synthase From Streptomyces Sp. Strain Cnh-189 in Complex with Gpp

The structure of Crystal Structure of Isosesquilavandulyl Diphosphate Synthase From Streptomyces Sp. Strain Cnh-189 in Complex with Gpp, PDB code: 5xk8 was solved by T.P.Ko, R.T.Guo, W.Liu, C.C.Chen, J.Gao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.87 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.342, 121.151, 121.246, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 21.5

The binding sites of Magnesium atom in the Crystal Structure of Isosesquilavandulyl Diphosphate Synthase From Streptomyces Sp. Strain Cnh-189 in Complex with Gpp (pdb code 5xk8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Isosesquilavandulyl Diphosphate Synthase From Streptomyces Sp. Strain Cnh-189 in Complex with Gpp, PDB code: 5xk8:

Magnesium binding site 1 out of 1 in the Crystal Structure of Isosesquilavandulyl Diphosphate Synthase From Streptomyces Sp. Strain Cnh-189 in Complex with Gpp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Isosesquilavandulyl Diphosphate Synthase From Streptomyces Sp. Strain Cnh-189 in Complex with Gpp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg500 b:56.1 occ:1.00 OD1 B:ASP9 2.3 57.0 1.0 O1A B:GPP501 2.6 50.8 1.0 O B:HOH601 2.9 64.7 1.0 O B:HOH696 3.0 46.9 1.0 O1B B:GPP501 3.2 88.5 1.0 O B:HOH609 3.3 61.4 1.0 O B:HOH690 3.3 56.0 1.0 CG B:ASP9 3.4 48.3 1.0 O B:HOH679 3.7 44.5 1.0 PA B:GPP501 3.8 51.0 1.0 C1 B:GPP501 3.8 50.8 1.0 OD2 B:ASP9 3.9 42.1 1.0 O3B B:GPP501 3.9 92.6 1.0 PB B:GPP501 4.0 86.8 1.0 O1 B:GPP501 4.1 50.8 1.0 NH2 B:ARG60 4.3 37.0 1.0 O3A B:GPP501 4.4 69.2 1.0 CB B:ASP9 4.6 45.7 1.0 C4 B:GPP501 4.7 44.6 1.0 N B:GLY10 4.7 43.8 1.0 NH2 B:ARG163 4.8 46.9 1.0 NH2 B:ARG169 4.8 34.4 1.0 CA B:ASP9 4.8 43.4 1.0 O A:HOH706 4.9 22.7 1.0

J.Gao, T.P.Ko, L.Chen, S.R.Malwal, J.Zhang, X.Hu, F.Qu, W.Liu, J.W.Huang, Y.S.Cheng, C.C.Chen, Y.Yang, Y.Zhang, E.Oldfield, R.T.Guo. "Head-to-Middle" and "Head-to-Tail" Cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase. Angew. Chem. Int. Ed. Engl. V. 57 683 2018.
ISSN: ESSN 1521-3773
PubMed: 29215779
DOI: 10.1002/ANIE.201710185