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

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

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

Protein crystallography data

The structure of Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Metosulam, PDB code: 6der 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)*	47.82 / 2.13
*Space group*	P 6₂ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	173.806, 173.806, 176.598, 90.00, 90.00, 120.00
*R / R_free (%)*	14.8 / 16.6

Other elements in 6der:

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

Potassium	(K)	1 atom
Chlorine	(Cl)	2 atoms

Magnesium Binding Sites:

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

Magnesium binding site 1 out of 1 in 6der

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Magnesium Binding Sites List in 6der

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

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 Metosulam within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg703 b:29.3 occ:1.00	O13	A:TZD705	2.0	27.8	0.6
	OD1	A:ASP546	2.1	30.8	1.0
	O3B	A:TP9706	2.1	33.7	0.4
	O	A:GLU575	2.1	32.4	1.0
	OD1	A:ASN573	2.1	29.2	1.0
	O1A	A:TP9706	2.1	27.4	0.4
	O	A:HOH932	2.2	26.0	1.0
	O22	A:TZD705	2.2	28.5	0.6
	CG	A:ASN573	3.1	37.4	1.0
	P1	A:TZD705	3.2	27.7	0.6
	CG	A:ASP546	3.2	31.3	1.0
	PB	A:TP9706	3.3	31.9	0.4
	P2	A:TZD705	3.3	29.6	0.6
	PA	A:TP9706	3.3	32.4	0.4
	C	A:GLU575	3.3	36.5	1.0
	ND2	A:ASN573	3.4	31.2	1.0
	O11	A:TZD705	3.5	29.8	0.6
	O3A	A:TP9706	3.6	37.1	0.4
	OD2	A:ASP546	3.8	35.6	1.0
	O1B	A:TP9706	3.8	31.0	0.4
	N	A:ASP546	3.9	31.0	1.0
	N	A:GLY577	3.9	28.6	1.0
	O21	A:TZD705	3.9	28.6	0.6
	N	A:GLU575	3.9	33.2	1.0
	O7	A:TP9706	3.9	30.9	0.4
	O5G	A:TZD705	4.0	28.9	0.6
	CA	A:GLU575	4.2	33.8	1.0
	O	A:LEU571	4.3	34.2	1.0
	N	A:ALA547	4.3	26.3	1.0
	N	A:GLN576	4.3	33.3	1.0
	CG	A:GLU575	4.3	29.1	1.0
	O12	A:TZD705	4.3	24.3	0.6
	CA	A:GLN576	4.4	34.3	1.0
	N	A:ASN573	4.4	29.2	1.0
	CB	A:ASP546	4.4	29.8	1.0
	CB	A:ASN573	4.5	29.1	1.0
	O2A	A:TP9706	4.5	29.9	0.4
	O2B	A:TP9706	4.5	32.1	0.4
	O23	A:TZD705	4.5	29.0	0.6
	CA	A:ASP546	4.6	26.1	1.0
	CA	A:GLY545	4.6	25.4	1.0
	C	A:GLN576	4.7	31.0	1.0
	C	A:GLY545	4.7	31.2	1.0
	CA	A:GLY577	4.7	33.1	1.0
	N	A:GLU574	4.8	30.8	1.0
	CA	A:ASN573	4.8	30.8	1.0
	C	A:ASN573	4.9	32.2	1.0
	CB	A:ALA547	4.9	27.4	1.0
	CB	A:GLU575	4.9	24.1	1.0
	C	A:ASP546	5.0	28.7	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: Mon Sep 30 23:09:00 2024

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