Magnesium in PDB 5eau: 5-Epi-Aristolochene Synthase From Nicotiana Tabacum

The structure of 5-Epi-Aristolochene Synthase From Nicotiana Tabacum, PDB code: 5eau was solved by C.M.Starks, K.Back, J.Chappell, J.P.Noel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.00 / 2.15
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	125.960, 125.960, 122.970, 90.00, 90.00, 90.00
R / Rfree (%)	24.2 / 28.7

The structure of 5-Epi-Aristolochene Synthase From Nicotiana Tabacum also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Magnesium atom in the 5-Epi-Aristolochene Synthase From Nicotiana Tabacum (pdb code 5eau). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the 5-Epi-Aristolochene Synthase From Nicotiana Tabacum, PDB code: 5eau:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the 5-Epi-Aristolochene Synthase From Nicotiana Tabacum


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 5-Epi-Aristolochene Synthase From Nicotiana Tabacum within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg732 b:75.6 occ:1.00 O1B A:FFF800 2.2 37.3 0.5 OD1 A:ASP301 2.2 46.7 1.0 OD2 A:ASP305 2.2 80.3 1.0 O3B A:FFF800 2.5 32.9 0.5 O A:HOH731 2.6 61.8 1.0 PB A:FFF800 2.7 33.5 0.5 CG A:ASP305 3.1 80.3 1.0 CG A:ASP301 3.1 46.9 1.0 OD1 A:ASP305 3.2 88.4 1.0 O A:HOH637 3.3 74.6 1.0 OD2 A:ASP301 3.3 48.5 1.0 O3A A:FFF800 3.7 36.8 0.5 O2B A:FFF800 4.0 31.7 0.5 O A:HOH730 4.1 58.0 1.0 O1A A:FFF800 4.4 42.5 0.5 CB A:ASP305 4.5 74.2 1.0 CB A:ASP301 4.5 37.9 1.0 OE2 A:GLU379 4.5 69.1 1.0 OE1 A:GLU379 4.6 63.0 1.0 PA A:FFF800 4.7 36.8 0.5 CE1 A:TYR376 4.8 43.3 1.0 O A:ASP301 4.9 44.8 1.0

Magnesium binding site 2 out of 2 in the 5-Epi-Aristolochene Synthase From Nicotiana Tabacum


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 5-Epi-Aristolochene Synthase From Nicotiana Tabacum within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg733 b:69.2 occ:1.00 O A:HOH638 2.2 83.8 1.0 OD1 A:ASP444 2.6 49.1 1.0 OG1 A:THR448 2.8 45.1 1.0 OE2 A:GLU452 2.8 76.5 1.0 CG A:ASP444 3.2 46.2 1.0 O2B A:FFF800 3.4 31.7 0.5 CD A:GLU452 3.5 73.2 1.0 OD2 A:ASP444 3.5 54.8 1.0 NH2 A:ARG441 3.5 51.6 1.0 OE1 A:GLU452 3.5 76.6 1.0 CB A:THR448 3.8 46.8 1.0 CG2 A:THR448 4.1 44.3 1.0 OD1 A:ASP445 4.3 38.9 1.0 O A:ASP444 4.3 42.5 1.0 O3B A:FFF800 4.4 32.9 0.5 CB A:ASP444 4.4 38.6 1.0 PB A:FFF800 4.4 33.5 0.5 C A:ASP444 4.5 35.6 1.0 CG A:GLU452 4.8 72.1 1.0 CZ A:ARG441 4.8 40.7 1.0 N A:ASP445 4.9 37.7 1.0

C.M.Starks, K.Back, J.Chappell, J.P.Noel. Structural Basis For Cyclic Terpene Biosynthesis By Tobacco 5-Epi-Aristolochene Synthase. Science V. 277 1815 1997.
ISSN: ISSN 0036-8075
PubMed: 9295271
DOI: 10.1126/SCIENCE.277.5333.1815