Magnesium in PDB 2ps4: N225D Trichodiene Synthase

All present enzymatic activity of N225D Trichodiene Synthase:
4.2.3.6;

The structure of N225D Trichodiene Synthase, PDB code: 2ps4 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)	87.37 / 2.46
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	123.372, 123.372, 151.806, 90.00, 90.00, 120.00
R / Rfree (%)	24.4 / 28.2

The binding sites of Magnesium atom in the N225D Trichodiene Synthase (pdb code 2ps4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the N225D Trichodiene Synthase, PDB code: 2ps4:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the N225D Trichodiene Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of N225D Trichodiene Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg701 b:59.5 occ:1.00 OD2 A:ASP239 2.3 67.4 1.0 OD1 A:ASP239 2.4 66.8 1.0 O A:ILE241 2.7 58.1 1.0 CG A:ASP239 2.7 66.0 1.0 OE2 A:GLU233 3.4 67.6 1.0 CB A:SER242 3.7 53.1 1.0 C A:ILE241 3.8 56.6 1.0 CD A:GLU233 3.9 65.8 1.0 OE1 A:GLU233 4.0 65.5 1.0 CA A:SER242 4.1 52.5 1.0 CB A:ASP239 4.2 61.9 1.0 N A:SER242 4.4 55.1 1.0 OG A:SER242 4.9 50.9 1.0

Magnesium binding site 2 out of 2 in the N225D Trichodiene Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of N225D Trichodiene Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg702 b:58.5 occ:1.00 OD1 B:ASP100 2.1 65.0 1.0 OE1 B:GLU164 2.2 76.5 1.0 O B:ASP100 2.6 62.2 1.0 CG B:ASP100 3.1 60.9 1.0 CD B:GLU164 3.4 74.9 1.0 C B:ASP100 3.6 61.5 1.0 CA B:ASP100 3.8 59.5 1.0 OD2 B:ASP100 3.8 62.5 1.0 CB B:ASP100 4.0 59.7 1.0 OE2 B:GLU164 4.2 75.8 1.0 CB B:GLU164 4.2 65.5 1.0 CG B:GLU164 4.2 70.1 1.0 N B:ASP101 4.8 63.1 1.0 SG B:CYS161 5.0 57.5 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