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Magnesium in PDB 1t9a: Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Tribenuron Methyl

Enzymatic activity of Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Tribenuron Methyl

All present enzymatic activity of Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Tribenuron Methyl:
2.2.1.6;

Protein crystallography data

The structure of Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Tribenuron Methyl, PDB code: 1t9a was solved by J.A.Mccourt, S.S.Pang, L.W.Guddat, R.G.Duggleby, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.59
Space group P 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 154.586, 154.586, 178.799, 90.00, 90.00, 90.00
R / Rfree (%) 15.6 / 19.2

Other elements in 1t9a:

The structure of Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Tribenuron Methyl also contains other interesting chemical elements:

Potassium (K) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Tribenuron Methyl (pdb code 1t9a). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Tribenuron Methyl, PDB code: 1t9a:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 1t9a

Go back to Magnesium Binding Sites List in 1t9a
Magnesium binding site 1 out of 2 in the Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Tribenuron 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 Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Tribenuron Methyl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1699

b:12.4
occ:1.00
 O A:GLU579 2.1 21.4 1.0
OD1 A:ASP550 2.1 19.5 1.0
O3B A:P231698 2.1 15.1 1.0
OD1 A:ASN577 2.1 19.6 1.0
O1A A:P231698 2.1 20.2 1.0
O A:HOH4165 2.2 15.2 1.0
CG A:ASN577 3.1 18.1 1.0
PA A:P231698 3.1 20.5 1.0
CG A:ASP550 3.2 17.4 1.0
C A:GLU579 3.3 20.9 1.0
PB A:P231698 3.3 15.9 1.0
O3A A:P231698 3.3 16.6 1.0
ND2 A:ASN577 3.4 15.1 1.0
O7 A:P231698 3.6 21.0 1.0
OD2 A:ASP550 3.7 20.0 1.0
O2B A:P231698 3.8 13.5 1.0
N A:GLU579 3.9 22.1 1.0
N A:ASP550 3.9 16.1 1.0
N A:GLY581 3.9 19.6 1.0
CA A:GLU579 4.2 20.7 1.0
N A:GLN580 4.2 21.5 1.0
N A:ALA551 4.2 13.7 1.0
CG A:GLU579 4.2 20.0 1.0
O2A A:P231698 4.3 19.0 1.0
CA A:GLN580 4.3 20.8 1.0
CB A:ASP550 4.4 15.4 1.0
N A:ASN577 4.4 16.8 1.0
CB A:ASN577 4.5 16.9 1.0
O A:LEU575 4.5 17.6 1.0
O1B A:P231698 4.5 11.8 1.0
CA A:ASP550 4.6 15.2 1.0
C A:GLY549 4.7 16.2 1.0
C A:GLN580 4.7 21.2 1.0
N A:GLU578 4.7 19.2 1.0
CA A:GLY549 4.7 14.4 1.0
CB A:ALA551 4.8 12.3 1.0
CA A:GLY581 4.8 19.5 1.0
CA A:ASN577 4.8 16.9 1.0
CB A:GLU579 4.9 18.4 1.0
C A:ASN577 4.9 19.4 1.0
C7 A:P231698 4.9 25.2 1.0
C A:ASP550 4.9 15.1 1.0

Magnesium binding site 2 out of 2 in 1t9a

Go back to Magnesium Binding Sites List in 1t9a
Magnesium binding site 2 out of 2 in the Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Tribenuron Methyl


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Tribenuron Methyl within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg699

b:26.1
occ:1.00
 OD1 B:ASP550 2.1 20.4 1.0
O1A B:P23698 2.2 34.7 1.0
OD1 B:ASN577 2.3 32.0 1.0
O B:GLU579 2.3 37.9 1.0
O B:HOH4055 2.3 26.2 1.0
O3B B:P23698 2.3 34.1 1.0
O3A B:P23698 2.9 36.7 1.0
PA B:P23698 3.1 35.3 1.0
CG B:ASP550 3.2 20.5 1.0
CG B:ASN577 3.2 32.1 1.0
PB B:P23698 3.3 34.0 1.0
C B:GLU579 3.4 39.7 1.0
ND2 B:ASN577 3.5 31.1 1.0
O7 B:P23698 3.7 38.4 1.0
OD2 B:ASP550 3.7 24.0 1.0
N B:ASP550 3.8 18.3 1.0
N B:GLU579 3.9 38.8 1.0
O2B B:P23698 4.0 34.4 1.0
N B:GLY581 4.1 38.5 1.0
N B:ALA551 4.2 18.1 1.0
O2A B:P23698 4.2 32.5 1.0
CA B:GLU579 4.3 39.9 1.0
CB B:ASP550 4.4 17.6 1.0
N B:GLN580 4.4 40.9 1.0
CG B:GLU579 4.4 41.6 1.0
O1B B:P23698 4.4 32.1 1.0
O B:LEU575 4.5 28.9 1.0
CA B:GLY549 4.5 19.6 1.0
N B:ASN577 4.5 31.6 1.0
C B:GLY549 4.5 20.4 1.0
CA B:ASP550 4.5 18.0 1.0
CA B:GLN580 4.6 40.8 1.0
CB B:ASN577 4.6 31.0 1.0
N B:GLU578 4.8 35.9 1.0
CB B:ALA551 4.8 16.8 1.0
C B:ASP550 4.9 18.7 1.0
C7 B:P23698 4.9 43.4 1.0
C B:GLN580 4.9 40.2 1.0
C B:ASN577 4.9 34.3 1.0
CA B:ASN577 5.0 32.4 1.0
CA B:GLY581 5.0 37.5 1.0
CB B:GLU579 5.0 40.5 1.0

Reference:

J.A.Mccourt, S.S.Pang, L.W.Guddat, R.G.Duggleby. Elucidating the Specificity of Binding of Sulfonylurea Herbicides to Acetohydroxyacid Synthase. Biochemistry V. 44 2330 2005.
ISSN: ISSN 0006-2960
PubMed: 15709745
DOI: 10.1021/BI047980A
Page generated: Mon Dec 14 06:50:58 2020

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