Magnesium in PDB 8et4: Crystal Structure of Wild-Type Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with Amidosulfuron

All present enzymatic activity of Crystal Structure of Wild-Type Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with Amidosulfuron:
2.2.1.6;

The structure of Crystal Structure of Wild-Type Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with Amidosulfuron, PDB code: 8et4 was solved by L.W.Guddat, Y.Cheng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.26 / 2.95
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	179.026, 179.026, 185.032, 90, 90, 120
R / Rfree (%)	18 / 20.5

The binding sites of Magnesium atom in the Crystal Structure of Wild-Type Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with Amidosulfuron (pdb code 8et4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Wild-Type Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with Amidosulfuron, PDB code: 8et4:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Wild-Type Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with Amidosulfuron


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Wild-Type Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with Amidosulfuron within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg701 b:53.3 occ:1.00 OAI A:AUJ706 2.0 60.1 1.0 OAK A:AUJ706 2.1 58.6 1.0 OD1 A:ASN565 2.1 57.2 1.0 OD1 A:ASP538 2.1 58.5 1.0 O A:HOH1301 2.2 53.7 1.0 O A:HIS567 2.2 58.9 1.0 CG A:ASN565 3.0 47.1 1.0 PBD A:AUJ706 3.2 49.8 1.0 PBE A:AUJ706 3.3 56.0 1.0 ND2 A:ASN565 3.3 49.1 1.0 CG A:ASP538 3.3 49.2 1.0 C A:HIS567 3.4 58.1 1.0 OAT A:AUJ706 3.6 65.5 1.0 OAF A:AUJ706 3.8 57.2 1.0 N A:GLY569 3.9 51.4 1.0 OD2 A:ASP538 3.9 58.9 1.0 N A:ASP538 4.0 51.2 1.0 N A:HIS567 4.0 51.3 1.0 OAS A:AUJ706 4.1 53.5 1.0 OAG A:AUJ706 4.2 49.5 1.0 CA A:HIS567 4.3 51.8 1.0 N A:GLY539 4.3 43.7 1.0 N A:LEU568 4.3 51.9 1.0 N A:ASN565 4.4 51.6 1.0 CB A:ASN565 4.4 35.3 1.0 OAJ A:AUJ706 4.4 49.0 1.0 CA A:LEU568 4.4 46.4 1.0 CB A:ASP538 4.5 37.1 1.0 O A:LEU563 4.7 53.3 1.0 CA A:GLY537 4.7 49.5 1.0 CA A:ASP538 4.7 46.1 1.0 C A:GLY537 4.7 50.4 1.0 CA A:GLY569 4.7 57.4 1.0 C A:LEU568 4.7 53.7 1.0 N A:GLN566 4.8 52.0 1.0 CA A:ASN565 4.8 39.0 1.0 CD1 A:LEU588 4.8 36.5 1.0 C A:ASN565 4.9 57.8 1.0 C A:ASP538 5.0 56.8 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Wild-Type Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with Amidosulfuron


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Wild-Type Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with Amidosulfuron within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg707 b:33.8 occ:0.50 O A:MET543 2.5 46.6 1.0 OE1 A:GLN546 2.7 45.6 1.0 CD A:GLN546 3.6 49.3 1.0 C A:MET543 3.7 47.4 1.0 NE2 A:GLN546 4.0 51.1 1.0 OD1 A:ASN544 4.0 55.8 1.0 CD2 A:HIS143 4.1 56.6 1.0 CA A:ASN544 4.3 50.3 1.0 N A:ASN544 4.4 41.8 1.0 NE2 A:HIS143 4.7 39.9 1.0 CA A:MET543 4.8 42.9 1.0 CG A:GLN546 4.8 36.5 1.0 CG A:HIS143 4.8 49.9 1.0 CG A:ASN544 4.9 53.5 1.0 O A:ILE542 5.0 45.2 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Wild-Type Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with Amidosulfuron


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Wild-Type Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with Amidosulfuron within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg708 b:73.9 occ:0.50 NZ A:LYS618 2.6 61.4 1.0 OG1 A:THR457 3.6 64.9 1.0 CE A:LYS618 3.6 79.4 1.0 CE2 A:PHE455 3.7 62.0 1.0 CD1 A:TYR466 3.7 76.5 1.0 CZ A:PHE455 3.8 51.9 1.0 CE1 A:TYR466 4.0 71.0 1.0 CG A:TYR466 4.4 71.0 1.0 CB A:THR457 4.7 63.7 1.0 CZ A:TYR466 4.8 73.9 1.0 CB A:TYR466 4.9 65.0 1.0 CD2 A:PHE455 4.9 53.3 1.0 CG2 A:THR457 5.0 46.2 1.0 CD A:LYS618 5.0 60.2 1.0

Y.Cheng, T.Lonhienne, M.D.Garcia, C.M.Williams, G.Schenk, L.W.Guddat. Crystal Structure of the Commercial Herbicide, Amidosulfuron, in Complex with Arabidopsis Thaliana Acetohydroxyacid Synthase. J.Agric.Food Chem. 2023.
ISSN: ESSN 1520-5118
PubMed: 36943718
DOI: 10.1021/ACS.JAFC.2C08528