Magnesium in PDB 5dhk: Nicotiana Tabacum 5-Epi-Aristolochene Synthase Mutant W273E - Alkylated

All present enzymatic activity of Nicotiana Tabacum 5-Epi-Aristolochene Synthase Mutant W273E - Alkylated:
4.2.3.61;

The structure of Nicotiana Tabacum 5-Epi-Aristolochene Synthase Mutant W273E - Alkylated, PDB code: 5dhk was solved by J.P.Noel, R.K.Kersten, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.42 / 2.43
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	126.690, 126.690, 122.000, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 23.3

The binding sites of Magnesium atom in the Nicotiana Tabacum 5-Epi-Aristolochene Synthase Mutant W273E - Alkylated (pdb code 5dhk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Nicotiana Tabacum 5-Epi-Aristolochene Synthase Mutant W273E - Alkylated, PDB code: 5dhk:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Nicotiana Tabacum 5-Epi-Aristolochene Synthase Mutant W273E - Alkylated


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Nicotiana Tabacum 5-Epi-Aristolochene Synthase Mutant W273E - Alkylated within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:77.4 occ:1.00 OE2 A:GLU379 2.4 74.7 1.0 OD2 A:ASP305 2.9 87.0 1.0 MG A:MG602 3.0 84.7 1.0 O A:HOH707 3.2 65.4 1.0 CD A:GLU379 3.6 64.4 1.0 CG A:ASP305 3.7 81.2 1.0 OE2 A:GLU452 3.8 97.4 1.0 OD1 A:ASP305 4.1 82.8 1.0 OE1 A:GLU379 4.2 68.2 1.0 CB A:ASP305 4.7 68.3 1.0 OD1 A:ASP301 4.7 65.6 1.0 CG A:GLU379 4.8 54.1 1.0 NE2 A:GLN457 5.0 94.1 1.0

Magnesium binding site 2 out of 2 in the Nicotiana Tabacum 5-Epi-Aristolochene Synthase Mutant W273E - Alkylated


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Nicotiana Tabacum 5-Epi-Aristolochene Synthase Mutant W273E - Alkylated within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:84.7 occ:1.00 OD2 A:ASP305 2.7 87.0 1.0 OD2 A:ASP301 2.7 68.0 1.0 OD1 A:ASP301 2.8 65.6 1.0 MG A:MG601 3.0 77.4 1.0 CG A:ASP301 3.2 60.1 1.0 O A:HOH707 3.3 65.4 1.0 CG A:ASP305 3.9 81.2 1.0 CB A:ASP305 4.5 68.3 1.0 CB A:ASP301 4.7 58.2 1.0 OE2 A:GLU379 4.9 74.7 1.0 OD1 A:ASP305 4.9 82.8 1.0 O A:ASP301 5.0 62.0 1.0

R.D.Kersten, J.K.Diedrich, J.R.Yates, J.P.Noel. Mechanism-Based Post-Translational Modification and Inactivation in Terpene Synthases. Acs Chem.Biol. V. 10 2501 2015.
ISSN: ESSN 1554-8937
PubMed: 26378620
DOI: 10.1021/ACSCHEMBIO.5B00539