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

The structure of 5-Epi-Aristolochene Synthase From Nicotiana Tabacum, PDB code: 5eas 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)	20.00 / 2.25
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	124.730, 124.730, 118.940, 90.00, 90.00, 90.00
R / Rfree (%)	24 / 20

The binding sites of Magnesium atom in the 5-Epi-Aristolochene Synthase From Nicotiana Tabacum (pdb code 5eas). 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: 5eas:
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:Mg851 b:61.8 occ:1.00 HG1 A:THR448 2.1 25.0 1.0 OD1 A:ASP444 2.4 51.6 1.0 OG1 A:THR448 2.6 50.1 1.0 OE2 A:GLU452 2.7 82.1 1.0 OE1 A:GLU452 2.7 80.2 1.0 CD A:GLU452 3.0 81.8 1.0 HH21 A:ARG441 3.0 25.0 1.0 O A:HOH846 3.2 44.6 1.0 OD1 A:ASP445 3.3 32.8 1.0 HH22 A:ARG441 3.5 25.0 1.0 CG A:ASP444 3.6 48.1 1.0 NH2 A:ARG441 3.6 32.9 1.0 CB A:THR448 3.8 47.1 1.0 CA A:ASP445 4.1 39.6 1.0 O A:ASP444 4.2 37.6 1.0 OD2 A:ASP444 4.3 51.6 1.0 C A:ASP444 4.3 38.1 1.0 N A:ASP445 4.3 40.3 1.0 O A:HOH711 4.3 43.2 1.0 CG A:GLU452 4.4 77.7 1.0 CG A:ASP445 4.4 37.5 1.0 CG2 A:THR448 4.6 47.4 1.0 CB A:ASP444 4.6 39.6 1.0 H A:THR448 4.8 25.0 1.0 H A:ASP445 4.8 25.0 1.0 CZ A:ARG441 4.8 31.4 1.0 CB A:ASP445 4.9 34.7 1.0 CA A:THR448 4.9 50.0 1.0 HH A:TYR394 5.0 25.0 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:Mg852 b:62.2 occ:1.00 OD1 A:ASP301 2.5 52.5 1.0 OD1 A:ASP305 3.4 90.7 1.0 CG A:ASP301 3.7 47.2 1.0 O A:ASP301 3.8 44.0 1.0 CB A:ASP305 3.8 84.8 1.0 CG A:ASP305 4.0 90.6 1.0 OE2 A:GLU379 4.1 66.2 1.0 CA A:ASP305 4.4 78.5 1.0 OD2 A:ASP301 4.4 53.6 1.0 N A:ASP305 4.4 69.4 1.0 OE1 A:GLU379 4.4 70.6 1.0 H A:ASP305 4.4 25.0 1.0 CD A:GLU379 4.5 61.4 1.0 C A:ASP301 4.6 43.9 1.0 CA A:ASP301 4.7 39.8 1.0 CE1 A:TYR376 4.7 38.8 1.0 CB A:PHE304 4.7 43.6 1.0 CD1 A:TYR376 4.7 40.1 1.0 CB A:ASP301 4.8 41.9 1.0 C A:PHE304 4.9 59.7 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