Magnesium in PDB 6dem: Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Bensulfuron Methyl

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

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

Protein crystallography data

The structure of Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Bensulfuron Methyl, PDB code: 6dem 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) 43.98 / 2.04
Space group P 62 2 2
Cell size a, b, c (Å), α, β, γ (°) 175.414, 175.414, 177.527, 90.00, 90.00, 120.00
R / Rfree (%) 14.6 / 17.2

Other elements in 6dem:

The structure of Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Bensulfuron Methyl 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 Bensulfuron Methyl (pdb code 6dem). 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 Bensulfuron Methyl, PDB code: 6dem:

Magnesium binding site 1 out of 1 in 6dem

Go back to Magnesium Binding Sites List in 6dem
Magnesium binding site 1 out of 1 in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Bensulfuron 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 Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Bensulfuron Methyl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg703

b:21.9
occ:1.00
 OD1 A:ASP546 2.0 28.2 1.0
OD1 A:ASN573 2.1 27.4 1.0
O A:GLU575 2.1 23.2 1.0
O1A A:TP9704 2.1 20.4 1.0
O A:HOH855 2.2 23.0 1.0
O3B A:TP9704 2.3 24.9 1.0
CG A:ASN573 3.1 30.8 1.0
CG A:ASP546 3.2 26.9 1.0
C A:GLU575 3.3 24.6 1.0
PA A:TP9704 3.4 23.2 1.0
PB A:TP9704 3.4 23.9 1.0
ND2 A:ASN573 3.4 30.1 1.0
O3A A:TP9704 3.6 25.8 1.0
OD2 A:ASP546 3.8 32.2 1.0
N A:ASP546 3.9 20.4 1.0
N A:GLU575 3.9 30.1 1.0
O1B A:TP9704 4.0 22.7 1.0
N A:GLY577 4.0 19.9 1.0
O7 A:TP9704 4.1 20.5 1.0
CA A:GLU575 4.2 25.9 1.0
O A:LEU571 4.2 32.9 1.0
N A:GLN576 4.3 21.9 1.0
N A:ALA547 4.3 21.4 1.0
CG A:GLU575 4.4 22.1 1.0
N A:ASN573 4.4 28.2 1.0
CA A:GLN576 4.4 22.3 1.0
CB A:ASP546 4.4 25.6 1.0
CB A:ASN573 4.4 26.1 1.0
O2A A:TP9704 4.5 23.9 1.0
CA A:ASP546 4.6 21.0 1.0
O2B A:TP9704 4.7 26.0 1.0
N A:GLU574 4.7 26.8 1.0
CA A:GLY545 4.7 22.0 1.0
C A:GLY545 4.7 23.4 1.0
C A:GLN576 4.8 24.3 1.0
CA A:ASN573 4.8 26.4 1.0
C A:ASN573 4.8 29.2 1.0
CA A:GLY577 4.9 22.8 1.0
CB A:GLU575 5.0 20.0 1.0
CB A:ALA547 5.0 20.9 1.0
C A:ASP546 5.0 24.4 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 Dec 14 22:34:53 2020

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