Magnesium in PDB 5hc7: Crystal Structure of Lavandulyl Diphosphate Synthase From Lavandula X Intermedia in Complex with S-Thiolo-Isopentenyldiphosphate

The structure of Crystal Structure of Lavandulyl Diphosphate Synthase From Lavandula X Intermedia in Complex with S-Thiolo-Isopentenyldiphosphate, PDB code: 5hc7 was solved by M.X.Liu, W.D.Liu, J.Gao, Y.Y.Zheng, C.C.Chen, R.T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.05
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	54.392, 141.606, 78.918, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 21.4

The binding sites of Magnesium atom in the Crystal Structure of Lavandulyl Diphosphate Synthase From Lavandula X Intermedia in Complex with S-Thiolo-Isopentenyldiphosphate (pdb code 5hc7). 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 Lavandulyl Diphosphate Synthase From Lavandula X Intermedia in Complex with S-Thiolo-Isopentenyldiphosphate, PDB code: 5hc7:

Magnesium binding site 1 out of 1 in the Crystal Structure of Lavandulyl Diphosphate Synthase From Lavandula X Intermedia in Complex with S-Thiolo-Isopentenyldiphosphate


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 Lavandulyl Diphosphate Synthase From Lavandula X Intermedia in Complex with S-Thiolo-Isopentenyldiphosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:59.0 occ:1.00 O4 A:DST403 2.0 53.8 1.0 O7 A:DST402 2.1 56.5 1.0 O A:HOH510 2.2 38.6 1.0 OD1 A:ASP76 2.3 41.0 1.0 S9 A:DST403 2.6 62.1 1.0 P1 A:DST403 3.1 54.8 1.0 O A:HOH501 3.3 58.9 1.0 O5 A:DST403 3.4 68.6 1.0 CG A:ASP76 3.4 36.4 1.0 P3 A:DST402 3.6 70.4 1.0 P3 A:DST403 3.6 41.8 1.0 OD2 A:ASP76 3.7 35.0 1.0 O2 A:DST403 3.8 45.5 1.0 NH2 A:ARG127 3.9 47.4 1.0 O4 A:DST402 4.1 53.4 1.0 O8 A:DST403 4.1 38.8 1.0 O6 A:DST403 4.5 40.9 1.0 O8 A:DST402 4.5 76.0 1.0 O2 A:DST402 4.6 71.2 1.0 N A:GLY77 4.7 37.7 1.0 CB A:ASP76 4.7 35.0 1.0 P1 A:DST402 4.8 50.3 1.0 NH1 A:ARG79 4.8 0.5 1.0 S9 A:DST402 4.8 62.4 1.0 O6 A:DST402 4.8 65.7 1.0 O7 A:DST403 4.9 49.5 1.0 CA A:ASP76 5.0 32.7 1.0

M.X.Liu, C.C.Chen, L.Chen, X.S.Xiao, Y.Y.Zheng, J.W.Huang, W.D.Liu, T.P.Ko, Y.S.Cheng, X.X.Feng, E.Oldfield, R.T.Guo, Y.H.Ma. Structure and Function of A "Head-to-Middle" Prenyltransferase: Lavandulyl Diphosphate Synthase Angew.Chem.Int.Ed.Engl. V. 55 4721 2016.
ISSN: ESSN 1521-3773
PubMed: 26922900
DOI: 10.1002/ANIE.201600656