Magnesium in PDB 2ps7: Y295F Trichodiene Synthase

All present enzymatic activity of Y295F Trichodiene Synthase:
4.2.3.6;

The structure of Y295F Trichodiene Synthase, PDB code: 2ps7 was solved by L.S.Vedula, D.E.Cane, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.35
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	122.431, 122.431, 151.289, 90.00, 90.00, 120.00
R / Rfree (%)	23.3 / 25.8

The binding sites of Magnesium atom in the Y295F Trichodiene Synthase (pdb code 2ps7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Y295F Trichodiene Synthase, PDB code: 2ps7:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Y295F Trichodiene Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Y295F Trichodiene Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg701 b:61.3 occ:1.00 OD1 A:ASP239 2.0 66.7 1.0 O A:HOH862 2.1 50.8 1.0 O A:ILE241 2.2 51.7 1.0 CG A:ASP239 3.0 65.6 1.0 OD2 A:ASP239 3.3 67.3 1.0 C A:ILE241 3.4 50.0 1.0 CG1 A:ILE241 4.0 49.5 1.0 N A:SER242 4.3 48.4 1.0 CA A:ILE241 4.3 49.8 1.0 N A:ILE241 4.4 50.3 1.0 CB A:ASP239 4.4 61.2 1.0 CA A:SER242 4.4 47.8 1.0 CB A:SER242 4.5 46.0 1.0 CB A:ILE241 4.8 49.1 1.0 CA A:ASP239 4.9 59.0 1.0 OE1 A:GLU233 5.0 73.8 1.0

Magnesium binding site 2 out of 2 in the Y295F Trichodiene Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Y295F Trichodiene Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg702 b:70.2 occ:1.00 OD1 B:ASP100 2.1 61.8 1.0 OE1 B:GLU164 2.3 70.6 1.0 O B:ASP100 2.5 59.4 1.0 CG B:ASP100 3.4 59.0 1.0 CD B:GLU164 3.4 68.8 1.0 C B:ASP100 3.5 60.0 1.0 CA B:ASP100 4.0 57.1 1.0 OD2 B:ASP100 4.2 60.8 1.0 CB B:GLU164 4.2 60.5 1.0 OE2 B:GLU164 4.2 71.2 1.0 CB B:ASP100 4.3 58.5 1.0 CG B:GLU164 4.4 65.2 1.0 N B:ASP101 4.6 61.9 1.0

L.S.Vedula, J.Jiang, T.Zakharian, D.E.Cane, D.W.Christianson. Structural and Mechanistic Analysis of Trichodiene Synthase Using Site-Directed Mutagenesis: Probing the Catalytic Function of Tyrosine-295 and the Asparagine-225/Serine-229/Glutamate-233-MG2+B Motif. Arch.Biochem.Biophys. V. 469 184 2008.
ISSN: ISSN 0003-9861
PubMed: 17996718
DOI: 10.1016/J.ABB.2007.10.015