Magnesium in PDB 3ea4: Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with Monosulfuron-Ester

All present enzymatic activity of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with Monosulfuron-Ester:
2.2.1.6;

The structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with Monosulfuron-Ester, PDB code: 3ea4 was solved by L.W.Guddat, J.-G.Wang, Z.-M.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.42 / 2.80
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	178.468, 178.468, 184.948, 90.00, 90.00, 120.00
R / Rfree (%)	19.9 / 21.3

The binding sites of Magnesium atom in the Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with Monosulfuron-Ester (pdb code 3ea4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with Monosulfuron-Ester, PDB code: 3ea4:

Magnesium binding site 1 out of 1 in the Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with Monosulfuron-Ester


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with Monosulfuron-Ester within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg699 b:55.7 occ:1.00 O1A A:TDM698 1.9 56.5 0.9 OD1 A:ASN565 2.2 49.8 1.0 O1B A:TDM698 2.3 52.5 0.9 OD1 A:ASP538 2.4 51.7 1.0 O A:HIS567 2.6 51.1 1.0 CG A:ASN565 3.2 48.6 1.0 PA A:TDM698 3.2 56.3 0.9 PB A:TDM698 3.4 52.8 0.9 O3A A:TDM698 3.5 55.2 0.9 ND2 A:ASN565 3.6 48.7 1.0 CG A:ASP538 3.6 50.1 1.0 N A:ASP538 3.7 48.6 1.0 C A:HIS567 3.8 51.1 1.0 O2B A:TDM698 4.0 53.0 0.9 O2A A:TDM698 4.2 55.5 0.9 N A:ASN565 4.2 47.8 1.0 O7 A:TDM698 4.3 60.2 0.9 N A:GLY569 4.3 53.7 1.0 N A:HIS567 4.3 50.0 1.0 CA A:GLY537 4.3 48.4 1.0 N A:GLY539 4.3 48.5 1.0 O A:LEU563 4.3 47.2 1.0 OD2 A:ASP538 4.4 51.5 1.0 C A:GLY537 4.4 48.4 1.0 CB A:ASN565 4.4 48.0 1.0 CA A:ASP538 4.6 48.8 1.0 CB A:ASP538 4.6 48.9 1.0 CA A:HIS567 4.6 50.5 1.0 CA A:ASN565 4.7 48.1 1.0 N A:GLN566 4.7 49.0 1.0 N A:LEU568 4.7 51.7 1.0 O3B A:TDM698 4.8 52.6 0.9 C A:ASN565 4.8 48.5 1.0 CA A:LEU568 4.8 52.2 1.0 CD1 A:LEU588 4.9 50.3 1.0 C A:ASP538 5.0 48.6 1.0 CA A:GLY569 5.0 54.8 1.0

J.-G.Wang, P.K.Lee, Y.-H.Dong, S.S.Pang, R.G.Duggleby, Z.-M.Li, L.W.Guddat. Crystal Structures of Two Novel Sulfonylurea Herbicides in Complex with Arabidopsis Thaliana Acetohydroxyacid Synthase. Febs J. V. 276 1282 2009.
ISSN: ISSN 1742-464X
PubMed: 19187232
DOI: 10.1111/J.1742-4658.2009.06863.X