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Chlorine in PDB 1n0h: Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Chlorimuron Ethyl

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

All present enzymatic activity of Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Chlorimuron Ethyl:
4.1.3.18;

Protein crystallography data

The structure of Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Chlorimuron Ethyl, PDB code: 1n0h was solved by 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) 48.70 / 2.80
Space group P 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 153.976, 153.976, 178.298, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 20.5

Other elements in 1n0h:

The structure of Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Chlorimuron Ethyl 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, Chlorimuron Ethyl (pdb code 1n0h). 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, Chlorimuron Ethyl, PDB code: 1n0h:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1n0h

Go back to Chlorine Binding Sites List in 1n0h
Chlorine binding site 1 out of 2 in the Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Chlorimuron Ethyl


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, Chlorimuron Ethyl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl695

b:27.9
occ:1.00
 CL4' A:CIE695 0.0 27.9 1.0
C4' A:CIE695 1.8 26.5 1.0
N3' A:CIE695 2.7 26.7 1.0
C5' A:CIE695 2.8 27.6 1.0
CA B:GLY116 3.5 19.6 1.0
CA A:VAL583 3.7 23.3 1.0
N B:GLY116 3.8 19.4 1.0
CB A:TRP586 3.8 16.4 0.3
CG2 A:VAL583 3.8 22.3 1.0
O A:HOH1108 3.9 32.1 1.0
CG A:TRP586 3.9 24.4 0.7
O A:MET582 3.9 26.9 1.0
CB A:TRP586 4.0 21.6 0.7
C2' A:CIE695 4.0 24.3 1.0
CD1 A:TRP586 4.1 25.1 0.7
CD1 B:LEU119 4.1 19.1 1.0
CG A:TRP586 4.1 15.0 0.3
C6' A:CIE695 4.1 27.9 1.0
N A:VAL583 4.2 25.9 1.0
CB A:VAL583 4.2 23.6 1.0
C A:MET582 4.3 25.9 1.0
CG A:MET582 4.3 28.8 0.7
SD A:MET582 4.3 32.2 0.7
CG1 A:VAL583 4.4 22.1 1.0
CD2 A:TRP586 4.5 25.4 0.7
CD2 A:TRP586 4.5 15.0 0.3
N1' A:CIE695 4.5 25.4 1.0
C B:GLY115 4.7 18.7 1.0
O A:VAL583 4.7 23.3 1.0
C A:VAL583 4.7 22.5 1.0
NE1 A:TRP586 4.7 25.9 0.7
CD1 A:TRP586 4.8 14.6 0.3
CE3 A:TRP586 4.8 15.6 0.3
CG B:LEU119 4.9 20.0 1.0
C B:GLY116 5.0 20.9 1.0
O B:HOH873 5.0 30.7 1.0
CE2 A:TRP586 5.0 26.0 0.7
CG A:MET582 5.0 22.8 0.3

Chlorine binding site 2 out of 2 in 1n0h

Go back to Chlorine Binding Sites List in 1n0h
Chlorine binding site 2 out of 2 in the Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with A Sulfonylurea Herbicide, Chlorimuron Ethyl


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, Chlorimuron Ethyl within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1695

b:51.5
occ:1.00
 CL4' B:CIE1695 0.0 51.5 1.0
C4' B:CIE1695 1.8 51.9 1.0
N3' B:CIE1695 2.7 51.0 1.0
C5' B:CIE1695 2.8 50.7 1.0
O A:HOH1279 3.5 43.6 1.0
CA B:VAL583 3.8 38.1 1.0
CA A:GLY116 3.8 21.0 1.0
CG B:TRP586 3.8 47.8 0.7
O B:MET582 3.8 38.4 1.0
CB B:TRP586 3.8 46.4 0.3
CB B:TRP586 3.9 46.9 0.7
CG2 B:VAL583 3.9 37.1 1.0
N A:GLY116 4.0 21.0 1.0
C2' B:CIE1695 4.0 49.7 1.0
CD1 B:TRP586 4.0 47.6 0.7
CD1 A:LEU119 4.0 27.8 1.0
C6' B:CIE1695 4.1 49.8 1.0
CG B:TRP586 4.2 46.9 0.3
C B:MET582 4.2 38.9 1.0
N B:VAL583 4.2 38.1 1.0
CG B:MET582 4.3 48.5 0.7
CB B:VAL583 4.3 38.2 1.0
CD2 B:TRP586 4.3 48.8 0.7
SD B:MET582 4.4 53.7 0.7
CG1 B:VAL583 4.4 37.0 1.0
CD2 B:TRP586 4.5 47.5 0.3
N1' B:CIE1695 4.5 49.3 1.0
NE1 B:TRP586 4.6 48.8 0.7
CE3 B:TRP586 4.7 47.8 0.3
CE2 B:TRP586 4.8 49.1 0.7
C B:VAL583 4.8 38.1 1.0
C A:GLY115 4.9 21.7 1.0
CD1 B:TRP586 4.9 47.0 0.3
CG A:LEU119 4.9 28.7 1.0
O B:VAL583 4.9 38.2 1.0
CG B:MET582 4.9 34.9 0.3
CE3 B:TRP586 5.0 49.7 0.7

Reference:

S.S.Pang, L.W.Guddat, R.G.Duggleby. Molecular Basis of Sulfonylurea Herbicide Inhibition of Acetohydroxyacid Synthase J.Biol.Chem. V. 278 7639 2003.
ISSN: ISSN 0021-9258
PubMed: 14557277
DOI: 10.1074/JBC.M211648200
Page generated: Sat Jul 20 00:15:23 2024

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