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Magnesium in PDB 5k2o: Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Pyrimidinyl-Benzoate Herbicide, Pyrithiobac

Enzymatic activity of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Pyrimidinyl-Benzoate Herbicide, Pyrithiobac

All present enzymatic activity of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Pyrimidinyl-Benzoate Herbicide, Pyrithiobac:
2.2.1.6;

Protein crystallography data

The structure of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Pyrimidinyl-Benzoate Herbicide, Pyrithiobac, PDB code: 5k2o 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) 40.30 / 2.87
Space group P 64 2 2
Cell size a, b, c (Å), α, β, γ (°) 179.090, 179.090, 184.969, 90.00, 90.00, 120.00
R / Rfree (%) 14.7 / 17.9

Other elements in 5k2o:

The structure of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Pyrimidinyl-Benzoate Herbicide, Pyrithiobac also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Pyrimidinyl-Benzoate Herbicide, Pyrithiobac (pdb code 5k2o). 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 Pyrimidinyl-Benzoate Herbicide, Pyrithiobac, PDB code: 5k2o:

Magnesium binding site 1 out of 1 in 5k2o

Go back to Magnesium Binding Sites List in 5k2o
Magnesium binding site 1 out of 1 in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Pyrimidinyl-Benzoate Herbicide, Pyrithiobac


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 Pyrimidinyl-Benzoate Herbicide, Pyrithiobac within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg701

b:47.2
occ:1.00
 O A:HIS567 2.0 56.4 1.0
O3B A:TP9705 2.1 38.6 1.0
O1A A:TP9705 2.1 40.4 1.0
OD1 A:ASN565 2.2 42.6 1.0
OD1 A:ASP538 2.2 51.1 1.0
O A:HOH899 2.2 42.1 1.0
CG A:ASN565 3.1 52.4 1.0
PA A:TP9705 3.2 48.1 1.0
C A:HIS567 3.2 52.5 1.0
PB A:TP9705 3.3 48.4 1.0
CG A:ASP538 3.3 48.7 1.0
ND2 A:ASN565 3.4 40.5 1.0
O3A A:TP9705 3.5 70.0 1.0
N A:GLY569 3.7 40.0 1.0
O7 A:TP9705 3.8 50.5 1.0
OD2 A:ASP538 3.9 42.3 1.0
N A:HIS567 3.9 46.2 1.0
N A:ASP538 3.9 45.7 1.0
O1B A:TP9705 4.1 47.8 1.0
CA A:HIS567 4.1 44.9 1.0
N A:LEU568 4.2 48.4 1.0
N A:GLY539 4.3 37.0 1.0
CA A:LEU568 4.3 47.3 1.0
O2B A:TP9705 4.4 39.9 1.0
O2A A:TP9705 4.5 41.2 1.0
N A:ASN565 4.5 52.4 1.0
CB A:ASN565 4.5 41.7 1.0
CA A:GLY569 4.5 44.4 1.0
CB A:ASP538 4.5 43.4 1.0
C A:LEU568 4.6 49.2 1.0
CA A:GLY537 4.6 42.8 1.0
C A:GLY537 4.7 45.8 1.0
CA A:ASP538 4.7 47.7 1.0
CD1 A:LEU588 4.7 38.2 1.0
O A:HOH840 4.7 85.3 1.0
N A:GLN566 4.8 55.3 1.0
O A:LEU563 4.8 59.9 1.0
CA A:ASN565 4.8 45.0 1.0
CB A:HIS567 4.9 41.2 1.0
C A:ASN565 4.9 50.6 1.0
C A:ASP538 5.0 51.7 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: Sun Sep 29 18:49:52 2024

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