Magnesium in PDB 5k6r: Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Sulfonylamino-Carbonyl-Triazolinone Herbicide, Thiencarbazone-Methyl

Enzymatic activity of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Sulfonylamino-Carbonyl-Triazolinone Herbicide, Thiencarbazone-Methyl

All present enzymatic activity of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Sulfonylamino-Carbonyl-Triazolinone Herbicide, Thiencarbazone-Methyl:
2.2.1.6;

Protein crystallography data

The structure of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Sulfonylamino-Carbonyl-Triazolinone Herbicide, Thiencarbazone-Methyl, PDB code: 5k6r was solved by M.D.Garcia, T.Lonhienne, L.W.Guddat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	44.67 / 2.73
*Space group*	P 6₄ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	180.364, 180.364, 186.467, 90.00, 90.00, 120.00
*R / R_free (%)*	14.5 / 17.8

Other elements in 5k6r:

Potassium

(K)

1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Sulfonylamino-Carbonyl-Triazolinone Herbicide, Thiencarbazone-Methyl (pdb code 5k6r). 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 Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Sulfonylamino-Carbonyl-Triazolinone Herbicide, Thiencarbazone-Methyl, PDB code: 5k6r:

Magnesium binding site 1 out of 1 in 5k6r

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Magnesium Binding Sites List in 5k6r

Magnesium binding site 1 out of 1 in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Sulfonylamino-Carbonyl-Triazolinone Herbicide, Thiencarbazone-Methyl

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 Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Sulfonylamino-Carbonyl-Triazolinone Herbicide, Thiencarbazone-Methyl within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg701 b:33.5 occ:1.00	O	A:HIS567	2.1	56.6	1.0
	OD1	A:ASN565	2.1	53.5	1.0
	O	A:HOH907	2.2	48.5	1.0
	OD1	A:ASP538	2.2	56.6	1.0
	O13	A:TZD706	2.2	37.5	1.0
	O22	A:TZD706	2.3	39.5	1.0
	CG	A:ASN565	3.1	52.1	1.0
	C	A:HIS567	3.3	48.8	1.0
	CG	A:ASP538	3.3	58.2	1.0
	P1	A:TZD706	3.5	46.8	1.0
	ND2	A:ASN565	3.5	53.8	1.0
	P2	A:TZD706	3.6	44.8	1.0
	O11	A:TZD706	3.7	68.7	1.0
	OD2	A:ASP538	3.9	49.6	1.0
	N	A:HIS567	3.9	49.9	1.0
	N	A:ASP538	4.0	39.4	1.0
	N	A:GLY569	4.1	41.5	1.0
	O5G	A:TZD706	4.1	62.9	1.0
	CA	A:HIS567	4.2	36.1	1.0
	O	A:HOH841	4.2	67.7	1.0
	N	A:ASN565	4.3	48.5	1.0
	O23	A:TZD706	4.3	52.4	1.0
	N	A:LEU568	4.3	52.6	1.0
	N	A:GLY539	4.3	33.6	1.0
	CB	A:ASN565	4.4	37.7	1.0
	CA	A:LEU568	4.5	49.5	1.0
	CB	A:ASP538	4.6	38.5	1.0
	O12	A:TZD706	4.6	48.5	1.0
	N	A:GLN566	4.6	55.9	1.0
	O	A:LEU563	4.6	54.9	1.0
	CA	A:GLY537	4.6	38.2	1.0
	C	A:GLY537	4.7	38.9	1.0
	O21	A:TZD706	4.7	44.8	1.0
	CA	A:ASP538	4.7	44.8	1.0
	CA	A:ASN565	4.7	51.8	1.0
	CD1	A:LEU588	4.8	34.8	1.0
	C	A:ASN565	4.8	53.9	1.0
	C	A:LEU568	4.8	56.5	1.0
	CA	A:GLY569	4.9	42.6	1.0
	CB	A:HIS567	5.0	37.1	1.0
	C	A:GLN566	5.0	46.0	1.0

Reference:

M.D.Garcia, A.Nouwens, T.G.Lonhienne, L.W.Guddat. Comprehensive Understanding of Acetohydroxyacid Synthase Inhibition By Different Herbicide Families. Proc. Natl. Acad. Sci. V. 114 E1091 2017U.S.A..
ISSN: ESSN 1091-6490
PubMed: 28137884
DOI: 10.1073/PNAS.1616142114

Page generated: Tue Aug 12 13:01:43 2025

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