Magnesium in PDB 5ild: Tobacco 5-Epi-Aristolochene Synthase with Mes Buffer Molecule and MG2+ Ions

All present enzymatic activity of Tobacco 5-Epi-Aristolochene Synthase with Mes Buffer Molecule and MG2+ Ions:
4.2.3.61;

The structure of Tobacco 5-Epi-Aristolochene Synthase with Mes Buffer Molecule and MG2+ Ions, PDB code: 5ild was solved by H.J.Koo, G.V.Louie, Y.Xu, M.Bowman, J.P.Noel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.16 / 2.12
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	126.910, 126.910, 123.190, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 20.1

The binding sites of Magnesium atom in the Tobacco 5-Epi-Aristolochene Synthase with Mes Buffer Molecule and MG2+ Ions (pdb code 5ild). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Tobacco 5-Epi-Aristolochene Synthase with Mes Buffer Molecule and MG2+ Ions, PDB code: 5ild:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Tobacco 5-Epi-Aristolochene Synthase with Mes Buffer Molecule and MG2+ Ions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Tobacco 5-Epi-Aristolochene Synthase with Mes Buffer Molecule and MG2+ Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:0.8 occ:1.00 OD2 A:ASP444 2.2 80.5 1.0 OG1 A:THR448 2.2 75.9 1.0 OE2 A:GLU452 2.5 0.2 1.0 CG A:ASP444 3.3 67.6 1.0 CB A:THR448 3.4 73.9 1.0 OD1 A:ASP445 3.5 57.8 1.0 CD A:GLU452 3.6 0.1 1.0 O A:ASP444 3.6 48.9 1.0 OD1 A:ASP444 3.8 78.4 1.0 CG2 A:THR448 3.9 68.1 1.0 C A:ASP444 4.0 50.9 1.0 OE1 A:GLU452 4.1 0.1 1.0 NH1 A:ARG441 4.1 49.8 1.0 CA A:ASP445 4.2 48.0 1.0 N A:ASP445 4.3 42.7 1.0 CB A:ASP444 4.4 45.3 1.0 CG A:ASP445 4.6 56.6 1.0 CA A:THR448 4.6 74.2 1.0 O1S A:MES603 4.7 0.4 0.5 CG A:GLU452 4.7 0.7 1.0 CA A:ASP444 4.8 45.4 1.0 C A:THR448 4.9 76.2 1.0 O A:THR448 4.9 84.4 1.0

Magnesium binding site 2 out of 2 in the Tobacco 5-Epi-Aristolochene Synthase with Mes Buffer Molecule and MG2+ Ions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Tobacco 5-Epi-Aristolochene Synthase with Mes Buffer Molecule and MG2+ Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:0.9 occ:1.00 OD1 A:ASP301 2.1 71.4 1.0 O A:HOH711 2.5 65.1 1.0 CG A:ASP301 2.9 69.8 1.0 OD2 A:ASP301 3.1 75.0 1.0 OD1 A:ASP305 3.3 0.8 1.0 O1S A:MES603 3.7 0.0 0.5 CG A:ASP305 3.9 0.9 1.0 OE2 A:GLU379 4.0 86.9 1.0 O A:HOH721 4.1 53.0 1.0 CB A:ASP305 4.2 91.7 1.0 O2S A:MES603 4.2 0.1 0.5 O3S A:MES603 4.4 0.6 0.5 CB A:ASP301 4.4 61.2 1.0 O A:ASP301 4.6 68.2 1.0 S A:MES603 4.7 0.8 0.5 CE1 A:TYR376 4.8 57.9 1.0 OE1 A:GLU379 4.8 79.3 1.0 OD2 A:ASP305 4.9 99.2 1.0 CD A:GLU379 4.9 79.5 1.0 C A:ASP301 5.0 68.9 1.0 CA A:ASP301 5.0 64.2 1.0

H.J.Koo, G.V.Louie, Y.Xu, M.Bowman, J.P.Noel. Small-Molecule Buffer Components Can Directly Affect Terpene-Synthase Activity By Interacting with the Substrate-Binding Site of the Enzyme To Be Published.