Magnesium in PDB 5eat: 5-Epi-Aristolochene Synthase From Nicotiana Tabacum with Substrate Analog Farnesyl Hydroxyphosphonate

The structure of 5-Epi-Aristolochene Synthase From Nicotiana Tabacum with Substrate Analog Farnesyl Hydroxyphosphonate, PDB code: 5eat 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)	100.00 / 2.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	126.330, 126.330, 121.698, 90.00, 90.00, 90.00
R / Rfree (%)	24 / 28

The binding sites of Magnesium atom in the 5-Epi-Aristolochene Synthase From Nicotiana Tabacum with Substrate Analog Farnesyl Hydroxyphosphonate (pdb code 5eat). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the 5-Epi-Aristolochene Synthase From Nicotiana Tabacum with Substrate Analog Farnesyl Hydroxyphosphonate, PDB code: 5eat:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the 5-Epi-Aristolochene Synthase From Nicotiana Tabacum with Substrate Analog Farnesyl Hydroxyphosphonate


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 with Substrate Analog Farnesyl Hydroxyphosphonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg851 b:29.0 occ:1.00 OD1 A:ASP444 2.2 45.6 1.0 OE2 A:GLU452 2.6 62.6 1.0 OE1 A:GLU452 2.7 61.3 1.0 OG1 A:THR448 2.8 30.3 1.0 CD A:GLU452 3.0 60.1 1.0 O1A A:FHP900 3.2 56.3 1.0 NH2 A:ARG441 3.3 30.7 1.0 OD1 A:ASP445 3.4 38.9 1.0 CG A:ASP444 3.5 39.5 1.0 CB A:THR448 4.0 41.1 1.0 OD2 A:ASP444 4.1 45.9 1.0 O A:ASP444 4.4 29.6 1.0 CG A:GLU452 4.5 59.5 1.0 CZ A:ARG441 4.5 20.5 1.0 C A:ASP444 4.5 28.4 1.0 CB A:ASP444 4.5 29.8 1.0 PA A:FHP900 4.6 64.8 1.0 CG A:ASP445 4.6 37.9 1.0 N A:ASP445 4.6 30.4 1.0 CA A:ASP445 4.6 32.3 1.0 CG2 A:THR448 4.6 32.6 1.0 O A:HOH719 4.7 57.8 1.0 CG2 A:THR460 4.8 56.0 1.0

Magnesium binding site 2 out of 3 in the 5-Epi-Aristolochene Synthase From Nicotiana Tabacum with Substrate Analog Farnesyl Hydroxyphosphonate


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 with Substrate Analog Farnesyl Hydroxyphosphonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg852 b:42.0 occ:1.00 O A:HOH751 2.2 74.0 1.0 OD1 A:ASP301 2.5 37.2 1.0 OD1 A:ASP305 2.6 75.7 1.0 CG A:ASP301 3.4 24.9 1.0 CG A:ASP305 3.4 70.4 1.0 OE2 A:GLU379 3.7 59.8 1.0 O3A A:FHP900 3.7 62.6 1.0 CE1 A:TYR376 3.7 42.6 1.0 O A:HOH679 3.8 35.1 1.0 CD1 A:TYR376 3.8 43.0 1.0 OD2 A:ASP301 3.9 32.6 1.0 OD2 A:ASP305 3.9 75.6 1.0 O A:ASP301 4.0 36.4 1.0 O A:HOH684 4.1 31.7 1.0 OE1 A:GLU379 4.2 55.5 1.0 CD A:GLU379 4.2 57.3 1.0 CA A:ASP301 4.4 31.6 1.0 CB A:ASP301 4.4 25.5 1.0 CZ A:TYR376 4.4 48.4 1.0 CB A:ASP305 4.4 59.0 1.0 MG A:MG853 4.5 60.6 1.0 CG A:TYR376 4.5 42.3 1.0 C A:ASP301 4.6 33.3 1.0 O2A A:FHP900 4.6 62.5 1.0 PA A:FHP900 4.7 64.8 1.0 CB A:PHE304 4.8 23.0 1.0 N A:ASP305 4.9 40.2 1.0 OH A:TYR376 5.0 39.2 1.0

Magnesium binding site 3 out of 3 in the 5-Epi-Aristolochene Synthase From Nicotiana Tabacum with Substrate Analog Farnesyl Hydroxyphosphonate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of 5-Epi-Aristolochene Synthase From Nicotiana Tabacum with Substrate Analog Farnesyl Hydroxyphosphonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg853 b:60.6 occ:1.00 O A:HOH754 2.2 80.9 1.0 O2A A:FHP900 2.4 62.5 1.0 OD2 A:ASP301 2.4 32.6 1.0 O A:HOH753 2.5 0.0 1.0 O A:HOH751 2.5 74.0 1.0 OD2 A:ASP305 3.1 75.6 1.0 CG A:ASP301 3.5 24.9 1.0 O1 A:FHP900 3.6 62.0 1.0 CG A:ASP305 3.6 70.4 1.0 PA A:FHP900 3.7 64.8 1.0 NH1 A:ARG264 3.8 51.1 1.0 OD1 A:ASP301 4.0 37.2 1.0 CB A:ASP305 4.0 59.0 1.0 NH2 A:ARG264 4.2 37.0 1.0 C1 A:FHP900 4.2 64.0 1.0 O3A A:FHP900 4.3 62.6 1.0 CZ A:ARG264 4.3 49.8 1.0 OD1 A:ASP305 4.4 75.7 1.0 MG A:MG852 4.5 42.0 1.0 O A:ASP301 4.6 36.4 1.0 O A:HOH684 4.6 31.7 1.0 CB A:ASP301 4.8 25.5 1.0 O1A A:FHP900 4.8 56.3 1.0 OD1 A:ASP302 4.9 59.5 1.0 C A:ASP301 4.9 33.3 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