Magnesium in PDB 5il3: Tobacco 5-Epi-Aristolochene Synthase with Mopso Buffer Molecule and MG2+ Ions

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

The structure of Tobacco 5-Epi-Aristolochene Synthase with Mopso Buffer Molecule and MG2+ Ions, PDB code: 5il3 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)	42.10 / 1.85
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	126.730, 126.730, 123.050, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 18.7

The binding sites of Magnesium atom in the Tobacco 5-Epi-Aristolochene Synthase with Mopso Buffer Molecule and MG2+ Ions (pdb code 5il3). 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 Mopso Buffer Molecule and MG2+ Ions, PDB code: 5il3:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Tobacco 5-Epi-Aristolochene Synthase with Mopso 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 Mopso Buffer Molecule and MG2+ Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:0.4 occ:1.00 O13 A:6BY604 2.1 0.4 0.3 O A:HOH731 2.6 57.7 1.0 OE2 A:GLU452 2.7 0.0 1.0 O01 A:6BX603 2.8 0.6 0.7 OD2 A:ASP444 2.8 50.0 1.0 S02 A:6BY604 3.5 0.0 0.3 O14 A:6BX603 3.5 0.3 0.7 CG A:ASP444 3.7 39.1 1.0 CD A:GLU452 3.8 96.9 1.0 S02 A:6BX603 3.8 0.5 0.7 OD1 A:ASP444 3.9 45.1 1.0 OG1 A:THR448 3.9 47.8 1.0 NH2 A:ARG441 3.9 45.0 1.0 O14 A:6BY604 4.1 0.1 0.3 OE1 A:GLU452 4.2 0.0 1.0 C03 A:6BY604 4.3 0.2 0.3 O A:HOH1064 4.6 58.3 1.0 O01 A:6BY604 4.6 0.6 0.3 O A:HOH850 4.6 44.7 1.0 CB A:THR448 4.7 47.9 1.0 CG2 A:THR448 4.8 51.2 1.0 O13 A:6BX603 4.8 0.2 0.7 OD1 A:ASP445 4.9 38.7 1.0

Magnesium binding site 2 out of 2 in the Tobacco 5-Epi-Aristolochene Synthase with Mopso 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 Mopso Buffer Molecule and MG2+ Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:0.5 occ:1.00 OD1 A:ASP301 2.1 58.5 1.0 O A:HOH762 2.5 58.4 1.0 CG A:ASP301 3.0 49.7 1.0 OD2 A:ASP301 3.3 54.3 1.0 CB A:ASP305 3.9 69.1 1.0 OD1 A:ASP305 4.0 88.2 1.0 CG A:ASP305 4.1 81.1 1.0 OE2 A:GLU379 4.3 74.7 1.0 O A:ASP301 4.3 50.3 1.0 O A:HOH1039 4.4 61.3 1.0 CB A:ASP301 4.4 44.6 1.0 O01 A:6BX603 4.5 0.6 0.7 OE1 A:GLU379 4.7 52.5 1.0 O A:HOH749 4.7 41.7 1.0 C A:ASP301 4.8 53.3 1.0 O13 A:6BY604 4.8 0.4 0.3 CA A:ASP301 4.8 48.1 1.0 CD A:GLU379 4.9 64.7 1.0 CE1 A:TYR376 4.9 41.6 1.0 OD2 A:ASP305 4.9 89.5 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.