Magnesium in PDB 6des: Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Propoxycarbazone

Enzymatic activity of Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Propoxycarbazone

All present enzymatic activity of Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Propoxycarbazone:
2.2.1.6;

Protein crystallography data

The structure of Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Propoxycarbazone, PDB code: 6des was solved by M.D.Garcia, L.W.Guddat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	46.69 / 2.40
*Space group*	P 6₂ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	175.775, 175.775, 177.338, 90.00, 90.00, 120.00
*R / R_free (%)*	13.4 / 16.5

Other elements in 6des:

The structure of Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Propoxycarbazone also contains other interesting chemical elements:

Potassium

(K)

1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Propoxycarbazone (pdb code 6des). 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 Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Propoxycarbazone, PDB code: 6des:

Magnesium binding site 1 out of 1 in 6des

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Magnesium Binding Sites List in 6des

Magnesium binding site 1 out of 1 in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Propoxycarbazone

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 Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Propoxycarbazone within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg703 b:21.6 occ:1.00	O	A:HOH895	2.1	22.9	1.0
	OD1	A:ASP546	2.1	36.6	1.0
	OD1	A:ASN573	2.2	33.4	1.0
	O	A:GLU575	2.2	30.6	1.0
	O12	A:TZD705	2.2	22.8	1.0
	O21	A:TZD705	2.2	26.2	1.0
	CG	A:ASN573	3.1	40.9	1.0
	CG	A:ASP546	3.3	33.1	1.0
	P2	A:TZD705	3.3	30.5	1.0
	P1	A:TZD705	3.4	29.8	1.0
	C	A:GLU575	3.4	31.9	1.0
	ND2	A:ASN573	3.4	37.2	1.0
	O11	A:TZD705	3.6	40.0	1.0
	OD2	A:ASP546	3.8	40.0	1.0
	N	A:GLY577	4.0	31.3	1.0
	N	A:ASP546	4.0	28.0	1.0
	N	A:GLU575	4.0	36.4	1.0
	O5G	A:TZD705	4.1	27.1	1.0
	O22	A:TZD705	4.1	33.9	1.0
	CA	A:GLU575	4.3	30.9	1.0
	O	A:LEU571	4.3	40.0	1.0
	N	A:GLN576	4.3	34.3	1.0
	N	A:ALA547	4.4	24.3	1.0
	CG	A:GLU575	4.4	29.6	1.0
	CA	A:GLN576	4.4	31.4	1.0
	O23	A:TZD705	4.5	32.8	1.0
	O13	A:TZD705	4.5	28.1	1.0
	CB	A:ASN573	4.5	26.9	1.0
	CB	A:ASP546	4.5	31.1	1.0
	N	A:ASN573	4.6	32.8	1.0
	CA	A:GLY545	4.6	28.2	1.0
	CA	A:ASP546	4.7	28.9	1.0
	C	A:GLY545	4.7	34.3	1.0
	C	A:GLN576	4.8	35.7	1.0
	CA	A:GLY577	4.8	30.3	1.0
	N	A:GLU574	4.9	39.0	1.0
	CA	A:ASN573	4.9	35.9	1.0
	C	A:ASN573	5.0	34.8	1.0
	CB	A:ALA547	5.0	24.9	1.0
	CB	A:GLU575	5.0	27.1	1.0

Reference:

M.D.Garcia, S.M.H.Chua, Y.S.Low, Y.T.Lee, K.Agnew-Francis, J.G.Wang, A.Nouwens, T.Lonhienne, C.M.Williams, J.A.Fraser, L.W.Guddat. Commercial Ahas-Inhibiting Herbicides Are Promising Drug Leads For the Treatment of Human Fungal Pathogenic Infections. Proc. Natl. Acad. Sci. V. 115 E9649 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30249642
DOI: 10.1073/PNAS.1809422115

Page generated: Wed Aug 13 05:07:44 2025

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