Magnesium in PDB 4di5: Co-Crystal Structure of Wt 5-Epi-Aristolochene Synthase From Nicotiana Tobaccum with Geraniline

All present enzymatic activity of Co-Crystal Structure of Wt 5-Epi-Aristolochene Synthase From Nicotiana Tobaccum with Geraniline:
4.2.3.61;

The structure of Co-Crystal Structure of Wt 5-Epi-Aristolochene Synthase From Nicotiana Tobaccum with Geraniline, PDB code: 4di5 was solved by J.P.Noel, C.Starks, C.M.Crenshaw, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.36 / 2.30
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	126.448, 126.448, 122.780, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 24.6

The binding sites of Magnesium atom in the Co-Crystal Structure of Wt 5-Epi-Aristolochene Synthase From Nicotiana Tobaccum with Geraniline (pdb code 4di5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Co-Crystal Structure of Wt 5-Epi-Aristolochene Synthase From Nicotiana Tobaccum with Geraniline, PDB code: 4di5:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Co-Crystal Structure of Wt 5-Epi-Aristolochene Synthase From Nicotiana Tobaccum with Geraniline


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Co-Crystal Structure of Wt 5-Epi-Aristolochene Synthase From Nicotiana Tobaccum with Geraniline within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg604 b:64.0 occ:0.81 OD2 A:ASP444 2.5 60.7 0.6 OG1 A:THR448 2.5 57.6 1.0 O5 A:DPO605 2.7 66.4 0.6 OD1 A:ASP445 2.9 47.4 1.0 O A:ASP444 3.3 53.0 0.6 OD2 A:ASP444 3.4 57.4 0.4 OE1 A:GLU452 3.4 95.7 1.0 O A:ASP444 3.5 53.0 0.4 CG A:ASP444 3.5 56.0 0.4 CA A:ASP445 3.6 49.1 1.0 OD1 A:ASP444 3.6 58.4 0.4 NH2 A:ARG441 3.6 48.9 1.0 C A:ASP444 3.7 50.8 0.6 CG A:ASP444 3.7 56.2 0.6 OE2 A:GLU452 3.7 97.8 1.0 C A:ASP444 3.7 50.8 0.4 N A:ASP445 3.8 45.8 1.0 CB A:THR448 3.9 67.1 1.0 CG A:ASP445 3.9 46.2 1.0 CD A:GLU452 3.9 0.2 1.0 P2 A:DPO605 4.2 80.9 0.6 CB A:ASP445 4.3 40.5 1.0 CG2 A:THR448 4.3 59.6 1.0 O3 A:DPO605 4.3 65.4 0.6 CB A:ASP444 4.4 46.5 0.4 CB A:ASP444 4.4 46.3 0.6 OD1 A:ASP444 4.6 57.6 0.6 C A:ASP445 4.6 50.8 1.0 CA A:ASP444 4.7 46.4 0.4 CA A:ASP444 4.7 46.2 0.6 CZ A:ARG441 4.8 44.0 1.0 O7 A:DPO605 4.8 60.4 0.6 O A:HOH907 4.8 57.5 1.0 O A:ASP445 4.8 60.2 1.0 CA A:THR448 4.9 68.6 1.0 OD2 A:ASP445 4.9 50.4 1.0 O6 A:DPO605 5.0 76.3 0.6

Magnesium binding site 2 out of 2 in the Co-Crystal Structure of Wt 5-Epi-Aristolochene Synthase From Nicotiana Tobaccum with Geraniline


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Co-Crystal Structure of Wt 5-Epi-Aristolochene Synthase From Nicotiana Tobaccum with Geraniline within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg606 b:76.5 occ:1.00 OD2 A:ASP301 2.4 59.2 1.0 O A:HOH922 2.4 62.5 0.8 O6 A:DPO605 2.5 76.3 0.6 OD1 A:ASP301 2.9 66.3 1.0 O4 A:DPO605 2.9 71.3 0.6 OD2 A:ASP305 2.9 89.8 1.0 O A:HOH921 2.9 77.8 0.8 O A:HOH919 2.9 62.2 1.0 O1 A:DPO605 3.0 76.3 0.6 CG A:ASP301 3.0 56.4 1.0 P2 A:DPO605 3.2 80.9 0.6 O A:HOH920 3.4 66.2 1.0 P1 A:DPO605 3.5 86.2 0.6 CG A:ASP305 3.8 82.7 1.0 O A:HOH923 3.9 50.7 0.9 CB A:ASP305 4.0 65.5 1.0 O7 A:DPO605 4.1 60.4 0.6 O2 A:DPO605 4.4 61.5 0.6 O5 A:DPO605 4.4 66.4 0.6 CB A:ASP301 4.5 54.3 1.0 O A:ASP301 4.5 63.9 1.0 O3 A:DPO605 4.7 65.4 0.6 C04 A:1GA603 4.8 45.6 0.8 C A:ASP301 4.9 61.1 1.0 OD1 A:ASP305 4.9 84.7 1.0

J.P.Noel, C.Starks, C.M.Crenshaw. Co-Crystal Structure of Wt 5-Epi-Aristolochene Synthase From Nicotiana Tobaccum with Geraniline To Be Published.