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Magnesium in PDB 1t9b: Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Chlorsulfuron

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

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

Protein crystallography data

The structure of Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Chlorsulfuron, PDB code: 1t9b 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 / 2.20
Space group P 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 154.579, 154.579, 178.759, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 19.5

Other elements in 1t9b:

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

Potassium (K) 2 atoms
Chlorine (Cl) 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, Chlorsulfuron (pdb code 1t9b). 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, Chlorsulfuron, PDB code: 1t9b:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 1t9b

Go back to Magnesium Binding Sites List in 1t9b
Magnesium binding site 1 out of 2 in the Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Chlorsulfuron


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, Chlorsulfuron within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1699

b:18.9
occ:1.00
 O1A A:P221702 2.1 19.3 1.0
O3B A:P221702 2.1 20.1 1.0
O A:HOH4051 2.1 14.2 1.0
OD1 A:ASN577 2.2 23.9 1.0
OD1 A:ASP550 2.2 17.0 1.0
O A:GLU579 2.2 22.7 1.0
PA A:P221702 3.0 21.1 1.0
CG A:ASN577 3.1 23.8 1.0
PB A:P221702 3.2 20.4 1.0
O3A A:P221702 3.2 21.7 1.0
CG A:ASP550 3.2 16.5 1.0
ND2 A:ASN577 3.3 21.9 1.0
C A:GLU579 3.5 24.8 1.0
O7 A:P221702 3.7 22.7 1.0
OD2 A:ASP550 3.7 16.2 1.0
O2B A:P221702 3.8 20.4 1.0
N A:ASP550 3.8 13.4 1.0
N A:GLY581 4.0 23.5 1.0
N A:GLU579 4.0 24.2 1.0
N A:ALA551 4.2 15.3 1.0
O2A A:P221702 4.3 18.9 1.0
CA A:GLU579 4.3 25.4 1.0
O1B A:P221702 4.4 21.5 1.0
N A:GLN580 4.4 25.4 1.0
CA A:GLY549 4.4 15.2 1.0
CG A:GLU579 4.4 28.0 1.0
O A:LEU575 4.5 20.4 1.0
CB A:ASP550 4.5 13.9 1.0
N A:ASN577 4.5 20.5 1.0
CA A:GLN580 4.5 25.3 1.0
CB A:ASN577 4.5 21.6 1.0
C A:GLY549 4.5 15.4 1.0
CA A:ASP550 4.6 15.0 1.0
N A:GLU578 4.8 23.2 1.0
C A:GLN580 4.8 25.3 1.0
CB A:ALA551 4.8 15.2 1.0
CA A:GLY581 4.8 23.9 1.0
C7 A:P221702 4.8 26.7 1.0
CA A:ASN577 4.9 21.5 1.0
C A:ASN577 4.9 21.8 1.0
C A:ASP550 5.0 15.9 1.0

Magnesium binding site 2 out of 2 in 1t9b

Go back to Magnesium Binding Sites List in 1t9b
Magnesium binding site 2 out of 2 in the Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Chlorsulfuron


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, Chlorsulfuron within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg699

b:10.6
occ:1.00
 O3B B:P25698 2.0 11.5 1.0
OD1 B:ASP550 2.1 12.3 1.0
O1A B:P25698 2.1 11.6 1.0
O B:GLU579 2.2 14.9 1.0
O B:HOH4246 2.2 13.2 1.0
OD1 B:ASN577 2.2 12.5 1.0
PA B:P25698 3.1 14.4 1.0
CG B:ASP550 3.1 11.9 1.0
CG B:ASN577 3.2 13.4 1.0
PB B:P25698 3.2 13.2 1.0
O3A B:P25698 3.2 11.9 1.0
C B:GLU579 3.4 14.8 1.0
ND2 B:ASN577 3.5 10.2 1.0
OD2 B:ASP550 3.6 13.8 1.0
O7 B:P25698 3.7 15.0 1.0
N B:ASP550 3.8 10.8 1.0
O2B B:P25698 3.8 9.0 1.0
N B:GLU579 4.0 15.3 1.0
N B:GLY581 4.0 15.3 1.0
N B:ALA551 4.2 9.6 1.0
CA B:GLU579 4.3 15.4 1.0
O2A B:P25698 4.3 11.3 1.0
N B:GLN580 4.3 15.8 1.0
CB B:ASP550 4.4 9.9 1.0
O1B B:P25698 4.4 9.2 1.0
CG B:GLU579 4.4 14.7 1.0
N B:ASN577 4.4 12.8 1.0
CA B:GLN580 4.5 16.3 1.0
CA B:ASP550 4.5 11.0 1.0
O B:LEU575 4.5 13.2 1.0
CB B:ASN577 4.6 11.4 1.0
CA B:GLY549 4.6 11.5 1.0
C B:GLY549 4.6 12.5 1.0
C B:GLN580 4.8 15.3 1.0
CB B:ALA551 4.8 6.0 1.0
N B:GLU578 4.8 14.5 1.0
CA B:GLY581 4.8 13.8 1.0
CA B:ASN577 4.9 12.6 1.0
C B:ASP550 4.9 10.7 1.0
C B:ASN577 4.9 13.6 1.0
CB B:GLU579 5.0 13.4 1.0
C7 B:P25698 5.0 20.8 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: Tue Aug 13 14:29:09 2024

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