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Chlorine 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:

Magnesium (Mg) 2 atoms
Potassium (K) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Chlorsulfuron, PDB code: 1t9b:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1t9b

Go back to Chlorine Binding Sites List in 1t9b
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl695

b:32.0
occ:1.00
 CL11 A:1CS695 0.0 32.0 1.0
C1 A:1CS695 1.7 34.3 1.0
C6 A:1CS695 2.7 33.7 1.0
C2 A:1CS695 2.8 36.2 1.0
N8 A:1CS695 3.2 36.0 1.0
O7B A:1CS695 3.2 38.1 1.0
C9 A:1CS695 3.5 32.9 1.0
S7 A:1CS695 3.5 37.3 1.0
O B:HOH4807 3.5 62.5 1.0
O9 A:1CS695 3.9 31.5 1.0
N10 A:1CS695 3.9 31.9 1.0
C5 A:1CS695 4.0 34.9 1.0
C3 A:1CS695 4.1 35.6 1.0
N B:ALA117 4.2 14.4 1.0
CA B:ALA117 4.2 14.8 1.0
CB B:ALA117 4.2 13.3 1.0
CD B:PRO192 4.4 15.6 1.0
C4 A:1CS695 4.6 36.4 1.0
CA B:VAL191 4.6 13.8 1.0
CG1 B:VAL191 4.6 12.6 1.0
C B:GLY116 4.7 17.0 1.0
O B:PHE201 4.8 18.6 1.0
C2' A:1CS695 4.8 30.7 1.0
O A:HOH5138 4.9 32.1 1.0
CB B:VAL191 4.9 14.1 1.0
O7A A:1CS695 4.9 39.7 1.0

Chlorine binding site 2 out of 2 in 1t9b

Go back to Chlorine Binding Sites List in 1t9b
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1695

b:22.6
occ:1.00
 CL11 B:1CS1695 0.0 22.6 1.0
C1 B:1CS1695 1.7 23.1 1.0
C6 B:1CS1695 2.7 22.3 1.0
C2 B:1CS1695 2.8 24.3 1.0
N8 B:1CS1695 3.2 23.1 1.0
O7B B:1CS1695 3.2 26.2 1.0
S7 B:1CS1695 3.5 26.7 1.0
C9 B:1CS1695 3.5 21.6 1.0
O A:HOH4252 3.6 46.7 1.0
CA A:ALA117 3.9 12.7 1.0
N A:ALA117 3.9 12.9 1.0
N10 B:1CS1695 3.9 19.9 1.0
CB A:ALA117 4.0 11.2 1.0
O9 B:1CS1695 4.0 21.5 1.0
C5 B:1CS1695 4.0 23.4 1.0
C3 B:1CS1695 4.1 25.1 1.0
CD A:PRO192 4.3 15.2 1.0
C A:GLY116 4.4 13.6 1.0
CA A:VAL191 4.6 13.1 1.0
C4 B:1CS1695 4.6 23.9 1.0
O A:HOH4076 4.7 25.4 1.0
CG1 A:VAL191 4.8 11.1 1.0
O A:GLY116 4.8 13.6 1.0
C2' B:1CS1695 4.8 18.1 1.0
CB A:VAL191 4.9 13.3 1.0
O A:HOH5215 4.9 14.9 1.0
O7A B:1CS1695 4.9 29.0 1.0
O A:PHE201 4.9 12.2 1.0
CB A:LYS251 5.0 22.1 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: Sat Jul 20 02:27:09 2024

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