Fluorine in PDB 5wj1: Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam
Enzymatic activity of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam
All present enzymatic activity of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam:
2.2.1.6;
Protein crystallography data
The structure of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam, PDB code: 5wj1
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)
|
44.42 /
2.52
|
Space group
|
P 64 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
179.957,
179.957,
185.350,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
14 /
16.5
|
Other elements in 5wj1:
The structure of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam
(pdb code 5wj1). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 10 binding sites of Fluorine where determined in the
Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam, PDB code: 5wj1:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 10 in 5wj1
Go back to
Fluorine Binding Sites List in 5wj1
Fluorine binding site 1 out
of 10 in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F704
b:40.8
occ:0.11
|
FAE
|
A:PXD704
|
0.0
|
40.8
|
0.1
|
CBC
|
A:PXD704
|
1.4
|
45.0
|
0.1
|
FAE
|
A:PXD704
|
1.7
|
47.9
|
0.9
|
CBC
|
A:PXD704
|
1.7
|
47.6
|
0.9
|
CAN
|
A:PXD704
|
2.2
|
40.2
|
0.9
|
FAF
|
A:PXD704
|
2.3
|
51.0
|
0.1
|
OD2
|
A:ASP376
|
2.4
|
43.9
|
0.2
|
CAN
|
A:PXD704
|
2.4
|
42.4
|
0.1
|
OAU
|
A:PXD704
|
2.5
|
37.1
|
0.1
|
OAU
|
A:PXD704
|
2.5
|
36.6
|
0.9
|
OD2
|
A:ASP376
|
2.8
|
46.9
|
0.8
|
OG
|
A:SER653
|
2.9
|
54.6
|
1.0
|
FAF
|
A:PXD704
|
3.0
|
58.7
|
0.9
|
N
|
A:GLY654
|
3.4
|
36.8
|
1.0
|
CG
|
A:ASP376
|
3.4
|
37.8
|
0.2
|
NH2
|
A:ARG377
|
3.5
|
29.1
|
1.0
|
O
|
A:HOH1178
|
3.5
|
86.8
|
1.0
|
O
|
A:HOH852
|
3.7
|
49.9
|
1.0
|
CA
|
A:GLY654
|
3.8
|
34.5
|
1.0
|
CAW
|
A:PXD704
|
3.9
|
33.9
|
0.1
|
OD1
|
A:ASP376
|
3.9
|
38.8
|
0.2
|
CAW
|
A:PXD704
|
3.9
|
31.5
|
0.9
|
O
|
A:HOH1007
|
3.9
|
49.0
|
1.0
|
C
|
A:SER653
|
3.9
|
35.9
|
1.0
|
CG
|
A:ASP376
|
4.0
|
36.4
|
0.8
|
CB
|
A:SER653
|
4.1
|
38.5
|
1.0
|
OAD
|
A:PXD704
|
4.2
|
34.2
|
0.1
|
OAD
|
A:PXD704
|
4.3
|
32.0
|
0.9
|
CA
|
A:SER653
|
4.3
|
36.3
|
1.0
|
O
|
A:HOH1361
|
4.5
|
77.4
|
1.0
|
CAK
|
A:PXD704
|
4.5
|
33.2
|
0.1
|
CAK
|
A:PXD704
|
4.5
|
36.2
|
0.9
|
O
|
A:SER653
|
4.6
|
40.4
|
1.0
|
CB
|
A:ASP376
|
4.6
|
35.2
|
0.2
|
OAC
|
A:PXD704
|
4.7
|
41.3
|
0.1
|
OAC
|
A:PXD704
|
4.7
|
42.6
|
0.9
|
CB
|
A:ASP376
|
4.7
|
34.6
|
0.8
|
CZ
|
A:ARG377
|
4.8
|
34.2
|
1.0
|
O
|
A:HOH1332
|
4.8
|
49.2
|
0.5
|
OD1
|
A:ASP376
|
4.9
|
41.1
|
0.8
|
CBA
|
A:PXD704
|
4.9
|
33.3
|
0.1
|
SBF
|
A:PXD704
|
4.9
|
36.8
|
0.1
|
O
|
A:HOH1261
|
5.0
|
72.4
|
1.0
|
CBA
|
A:PXD704
|
5.0
|
32.9
|
0.9
|
SBF
|
A:PXD704
|
5.0
|
33.7
|
0.9
|
|
Fluorine binding site 2 out
of 10 in 5wj1
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Fluorine Binding Sites List in 5wj1
Fluorine binding site 2 out
of 10 in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F704
b:47.9
occ:0.89
|
FAE
|
A:PXD704
|
0.0
|
47.9
|
0.9
|
CBC
|
A:PXD704
|
1.0
|
45.0
|
0.1
|
CBC
|
A:PXD704
|
1.4
|
47.6
|
0.9
|
FAE
|
A:PXD704
|
1.7
|
40.8
|
0.1
|
FAF
|
A:PXD704
|
1.8
|
51.0
|
0.1
|
FAF
|
A:PXD704
|
2.3
|
58.7
|
0.9
|
CAN
|
A:PXD704
|
2.4
|
40.2
|
0.9
|
CAN
|
A:PXD704
|
2.4
|
42.4
|
0.1
|
O
|
A:HOH1178
|
3.0
|
86.8
|
1.0
|
OAU
|
A:PXD704
|
3.3
|
37.1
|
0.1
|
O
|
A:HOH852
|
3.3
|
49.9
|
1.0
|
OAU
|
A:PXD704
|
3.4
|
36.6
|
0.9
|
OD2
|
A:ASP376
|
3.5
|
43.9
|
0.2
|
O
|
A:HOH1361
|
3.5
|
77.4
|
1.0
|
O
|
A:HOH1332
|
3.8
|
49.2
|
0.5
|
OD2
|
A:ASP376
|
3.8
|
46.9
|
0.8
|
CA
|
A:GLY654
|
4.0
|
34.5
|
1.0
|
OG
|
A:SER653
|
4.0
|
54.6
|
1.0
|
N
|
A:GLY654
|
4.2
|
36.8
|
1.0
|
CG
|
A:ASP376
|
4.3
|
37.8
|
0.2
|
OD1
|
A:ASP376
|
4.5
|
38.8
|
0.2
|
CAW
|
A:PXD704
|
4.6
|
33.9
|
0.1
|
O
|
A:HOH1261
|
4.7
|
72.4
|
1.0
|
CAW
|
A:PXD704
|
4.7
|
31.5
|
0.9
|
C
|
A:SER653
|
4.7
|
35.9
|
1.0
|
CG
|
A:ASP376
|
4.9
|
36.4
|
0.8
|
|
Fluorine binding site 3 out
of 10 in 5wj1
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Fluorine Binding Sites List in 5wj1
Fluorine binding site 3 out
of 10 in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F704
b:51.0
occ:0.11
|
FAF
|
A:PXD704
|
0.0
|
51.0
|
0.1
|
CBC
|
A:PXD704
|
1.1
|
47.6
|
0.9
|
FAF
|
A:PXD704
|
1.2
|
58.7
|
0.9
|
CBC
|
A:PXD704
|
1.4
|
45.0
|
0.1
|
FAE
|
A:PXD704
|
1.8
|
47.9
|
0.9
|
FAE
|
A:PXD704
|
2.3
|
40.8
|
0.1
|
CAN
|
A:PXD704
|
2.4
|
42.4
|
0.1
|
CAN
|
A:PXD704
|
2.6
|
40.2
|
0.9
|
O
|
A:HOH1361
|
2.8
|
77.4
|
1.0
|
OG
|
A:SER653
|
3.0
|
54.6
|
1.0
|
O
|
A:HOH1261
|
3.1
|
72.4
|
1.0
|
OAU
|
A:PXD704
|
3.1
|
37.1
|
0.1
|
OAU
|
A:PXD704
|
3.2
|
36.6
|
0.9
|
O
|
A:HOH1113
|
3.5
|
53.2
|
1.0
|
OAC
|
A:PXD704
|
3.9
|
41.3
|
0.1
|
OAC
|
A:PXD704
|
3.9
|
42.6
|
0.9
|
CB
|
A:SER653
|
4.1
|
38.5
|
1.0
|
N
|
A:GLY654
|
4.2
|
36.8
|
1.0
|
C
|
A:SER653
|
4.2
|
35.9
|
1.0
|
O
|
A:SER653
|
4.3
|
40.4
|
1.0
|
CA
|
A:GLY654
|
4.3
|
34.5
|
1.0
|
O
|
A:HOH1452
|
4.4
|
61.1
|
1.0
|
OAD
|
A:PXD704
|
4.4
|
34.2
|
0.1
|
CAW
|
A:PXD704
|
4.5
|
33.9
|
0.1
|
O
|
A:HOH1185
|
4.5
|
93.7
|
1.0
|
CAW
|
A:PXD704
|
4.6
|
31.5
|
0.9
|
OAD
|
A:PXD704
|
4.6
|
32.0
|
0.9
|
OD2
|
A:ASP376
|
4.6
|
43.9
|
0.2
|
CA
|
A:SER653
|
4.8
|
36.3
|
1.0
|
O
|
A:HOH1332
|
4.8
|
49.2
|
0.5
|
SBF
|
A:PXD704
|
4.8
|
36.8
|
0.1
|
O
|
A:HOH1178
|
4.8
|
86.8
|
1.0
|
SBF
|
A:PXD704
|
4.9
|
33.7
|
0.9
|
O
|
A:HOH852
|
4.9
|
49.9
|
1.0
|
OD2
|
A:ASP376
|
4.9
|
46.9
|
0.8
|
|
Fluorine binding site 4 out
of 10 in 5wj1
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Fluorine Binding Sites List in 5wj1
Fluorine binding site 4 out
of 10 in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F704
b:58.7
occ:0.89
|
FAF
|
A:PXD704
|
0.0
|
58.7
|
0.9
|
FAF
|
A:PXD704
|
1.2
|
51.0
|
0.1
|
CBC
|
A:PXD704
|
1.4
|
47.6
|
0.9
|
CBC
|
A:PXD704
|
1.7
|
45.0
|
0.1
|
CAN
|
A:PXD704
|
2.0
|
42.4
|
0.1
|
FAE
|
A:PXD704
|
2.3
|
47.9
|
0.9
|
CAN
|
A:PXD704
|
2.4
|
40.2
|
0.9
|
FAE
|
A:PXD704
|
3.0
|
40.8
|
0.1
|
O
|
A:HOH1113
|
3.1
|
53.2
|
1.0
|
OAU
|
A:PXD704
|
3.1
|
37.1
|
0.1
|
OAU
|
A:PXD704
|
3.3
|
36.6
|
0.9
|
O
|
A:HOH1361
|
3.3
|
77.4
|
1.0
|
O
|
A:HOH1452
|
3.5
|
61.1
|
1.0
|
O
|
A:HOH1261
|
3.5
|
72.4
|
1.0
|
OAC
|
A:PXD704
|
3.6
|
41.3
|
0.1
|
OAC
|
A:PXD704
|
3.7
|
42.6
|
0.9
|
OG
|
A:SER653
|
3.8
|
54.6
|
1.0
|
CAW
|
A:PXD704
|
4.3
|
33.9
|
0.1
|
CAW
|
A:PXD704
|
4.3
|
31.5
|
0.9
|
OAD
|
A:PXD704
|
4.7
|
34.2
|
0.1
|
SBF
|
A:PXD704
|
4.7
|
36.8
|
0.1
|
O
|
A:HOH1185
|
4.7
|
93.7
|
1.0
|
SBF
|
A:PXD704
|
4.8
|
33.7
|
0.9
|
OAD
|
A:PXD704
|
4.8
|
32.0
|
0.9
|
CBA
|
A:PXD704
|
5.0
|
33.3
|
0.1
|
|
Fluorine binding site 5 out
of 10 in 5wj1
Go back to
Fluorine Binding Sites List in 5wj1
Fluorine binding site 5 out
of 10 in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F704
b:36.3
occ:0.11
|
FAH
|
A:PXD704
|
0.0
|
36.3
|
0.1
|
FAH
|
A:PXD704
|
0.2
|
39.2
|
0.9
|
CBE
|
A:PXD704
|
1.4
|
34.7
|
0.1
|
CBE
|
A:PXD704
|
1.4
|
34.2
|
0.9
|
FAG
|
A:PXD704
|
2.2
|
30.7
|
0.9
|
FAI
|
A:PXD704
|
2.2
|
35.7
|
0.1
|
FAG
|
A:PXD704
|
2.2
|
33.6
|
0.1
|
CAY
|
A:PXD704
|
2.3
|
33.7
|
0.9
|
FAI
|
A:PXD704
|
2.3
|
35.4
|
0.9
|
CAY
|
A:PXD704
|
2.3
|
33.8
|
0.1
|
CAL
|
A:PXD704
|
2.5
|
35.1
|
0.9
|
CAL
|
A:PXD704
|
2.6
|
33.2
|
0.1
|
CBA
|
A:PXD704
|
3.7
|
32.9
|
0.9
|
CBA
|
A:PXD704
|
3.7
|
33.3
|
0.1
|
CAJ
|
A:PXD704
|
3.9
|
30.4
|
0.9
|
CAJ
|
A:PXD704
|
4.0
|
32.5
|
0.1
|
NAR
|
A:PXD704
|
4.2
|
40.7
|
0.1
|
NAR
|
A:PXD704
|
4.4
|
40.9
|
0.9
|
SBF
|
A:PXD704
|
4.6
|
36.8
|
0.1
|
CAV
|
A:PXD704
|
4.6
|
40.1
|
0.1
|
SBF
|
A:PXD704
|
4.6
|
33.7
|
0.9
|
CAW
|
A:PXD704
|
4.7
|
31.5
|
0.9
|
CAV
|
A:PXD704
|
4.7
|
41.2
|
0.9
|
CAW
|
A:PXD704
|
4.8
|
33.9
|
0.1
|
CAK
|
A:PXD704
|
4.8
|
36.2
|
0.9
|
CAK
|
A:PXD704
|
4.9
|
33.2
|
0.1
|
|
Fluorine binding site 6 out
of 10 in 5wj1
Go back to
Fluorine Binding Sites List in 5wj1
Fluorine binding site 6 out
of 10 in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F704
b:39.2
occ:0.89
|
FAH
|
A:PXD704
|
0.0
|
39.2
|
0.9
|
FAH
|
A:PXD704
|
0.2
|
36.3
|
0.1
|
CBE
|
A:PXD704
|
1.3
|
34.7
|
0.1
|
CBE
|
A:PXD704
|
1.4
|
34.2
|
0.9
|
FAI
|
A:PXD704
|
2.1
|
35.7
|
0.1
|
FAI
|
A:PXD704
|
2.2
|
35.4
|
0.9
|
FAG
|
A:PXD704
|
2.2
|
30.7
|
0.9
|
FAG
|
A:PXD704
|
2.2
|
33.6
|
0.1
|
CAY
|
A:PXD704
|
2.3
|
33.7
|
0.9
|
CAY
|
A:PXD704
|
2.4
|
33.8
|
0.1
|
CAL
|
A:PXD704
|
2.6
|
35.1
|
0.9
|
CAL
|
A:PXD704
|
2.7
|
33.2
|
0.1
|
CBA
|
A:PXD704
|
3.7
|
32.9
|
0.9
|
CBA
|
A:PXD704
|
3.7
|
33.3
|
0.1
|
CAJ
|
A:PXD704
|
4.0
|
30.4
|
0.9
|
CAJ
|
A:PXD704
|
4.1
|
32.5
|
0.1
|
NAR
|
A:PXD704
|
4.2
|
40.7
|
0.1
|
NAR
|
A:PXD704
|
4.3
|
40.9
|
0.9
|
CAV
|
A:PXD704
|
4.6
|
40.1
|
0.1
|
SBF
|
A:PXD704
|
4.6
|
36.8
|
0.1
|
SBF
|
A:PXD704
|
4.7
|
33.7
|
0.9
|
CAV
|
A:PXD704
|
4.7
|
41.2
|
0.9
|
CAW
|
A:PXD704
|
4.8
|
31.5
|
0.9
|
CAW
|
A:PXD704
|
4.8
|
33.9
|
0.1
|
CAK
|
A:PXD704
|
4.9
|
36.2
|
0.9
|
NAP
|
A:PXD704
|
4.9
|
37.0
|
0.1
|
CAK
|
A:PXD704
|
5.0
|
33.2
|
0.1
|
|
Fluorine binding site 7 out
of 10 in 5wj1
Go back to
Fluorine Binding Sites List in 5wj1
Fluorine binding site 7 out
of 10 in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F704
b:35.7
occ:0.11
|
FAI
|
A:PXD704
|
0.0
|
35.7
|
0.1
|
FAI
|
A:PXD704
|
0.2
|
35.4
|
0.9
|
CBE
|
A:PXD704
|
1.2
|
34.2
|
0.9
|
CBE
|
A:PXD704
|
1.3
|
34.7
|
0.1
|
FAH
|
A:PXD704
|
2.1
|
39.2
|
0.9
|
CAY
|
A:PXD704
|
2.2
|
33.7
|
0.9
|
FAH
|
A:PXD704
|
2.2
|
36.3
|
0.1
|
FAG
|
A:PXD704
|
2.2
|
33.6
|
0.1
|
FAG
|
A:PXD704
|
2.2
|
30.7
|
0.9
|
CAY
|
A:PXD704
|
2.4
|
33.8
|
0.1
|
CAV
|
A:PXD704
|
2.9
|
40.1
|
0.1
|
CAL
|
A:PXD704
|
3.0
|
35.1
|
0.9
|
NAP
|
A:PXD704
|
3.0
|
37.0
|
0.1
|
CAV
|
A:PXD704
|
3.0
|
41.2
|
0.9
|
NAR
|
A:PXD704
|
3.1
|
40.7
|
0.1
|
NAP
|
A:PXD704
|
3.1
|
35.0
|
0.9
|
CBA
|
A:PXD704
|
3.1
|
32.9
|
0.9
|
CAL
|
A:PXD704
|
3.2
|
33.2
|
0.1
|
NAR
|
A:PXD704
|
3.2
|
40.9
|
0.9
|
CBA
|
A:PXD704
|
3.3
|
33.3
|
0.1
|
NAQ
|
A:PXD704
|
3.6
|
40.7
|
0.1
|
NAQ
|
A:PXD704
|
3.6
|
45.0
|
0.9
|
CBB
|
A:PXD704
|
3.7
|
35.6
|
0.1
|
SBF
|
A:PXD704
|
3.7
|
33.7
|
0.9
|
SBF
|
A:PXD704
|
3.7
|
36.8
|
0.1
|
CBB
|
A:PXD704
|
3.8
|
36.3
|
0.9
|
NBD
|
A:PXD704
|
4.0
|
36.9
|
0.1
|
NBD
|
A:PXD704
|
4.0
|
36.1
|
0.9
|
CAJ
|
A:PXD704
|
4.3
|
30.4
|
0.9
|
CAW
|
A:PXD704
|
4.4
|
31.5
|
0.9
|
CAJ
|
A:PXD704
|
4.5
|
32.5
|
0.1
|
CAW
|
A:PXD704
|
4.5
|
33.9
|
0.1
|
OAD
|
A:PXD704
|
4.5
|
32.0
|
0.9
|
OAD
|
A:PXD704
|
4.5
|
34.2
|
0.1
|
OXT
|
A:F50705
|
4.6
|
63.9
|
1.0
|
CAX
|
A:PXD704
|
4.7
|
34.1
|
0.1
|
CAX
|
A:PXD704
|
4.8
|
34.5
|
0.9
|
CAK
|
A:PXD704
|
4.8
|
36.2
|
0.9
|
NH1
|
A:ARG377
|
4.9
|
34.3
|
1.0
|
OX1
|
A:F50705
|
5.0
|
68.7
|
1.0
|
CAK
|
A:PXD704
|
5.0
|
33.2
|
0.1
|
|
Fluorine binding site 8 out
of 10 in 5wj1
Go back to
Fluorine Binding Sites List in 5wj1
Fluorine binding site 8 out
of 10 in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F704
b:35.4
occ:0.89
|
FAI
|
A:PXD704
|
0.0
|
35.4
|
0.9
|
FAI
|
A:PXD704
|
0.2
|
35.7
|
0.1
|
CBE
|
A:PXD704
|
1.3
|
34.2
|
0.9
|
CBE
|
A:PXD704
|
1.5
|
34.7
|
0.1
|
FAH
|
A:PXD704
|
2.2
|
39.2
|
0.9
|
FAG
|
A:PXD704
|
2.2
|
33.6
|
0.1
|
FAG
|
A:PXD704
|
2.2
|
30.7
|
0.9
|
FAH
|
A:PXD704
|
2.3
|
36.3
|
0.1
|
CAY
|
A:PXD704
|
2.4
|
33.7
|
0.9
|
CAY
|
A:PXD704
|
2.5
|
33.8
|
0.1
|
CAV
|
A:PXD704
|
2.8
|
40.1
|
0.1
|
CAV
|
A:PXD704
|
2.9
|
41.2
|
0.9
|
NAP
|
A:PXD704
|
2.9
|
37.0
|
0.1
|
NAP
|
A:PXD704
|
3.0
|
35.0
|
0.9
|
NAR
|
A:PXD704
|
3.0
|
40.7
|
0.1
|
NAR
|
A:PXD704
|
3.1
|
40.9
|
0.9
|
CAL
|
A:PXD704
|
3.2
|
35.1
|
0.9
|
CBA
|
A:PXD704
|
3.3
|
32.9
|
0.9
|
NAQ
|
A:PXD704
|
3.4
|
40.7
|
0.1
|
CAL
|
A:PXD704
|
3.4
|
33.2
|
0.1
|
CBA
|
A:PXD704
|
3.4
|
33.3
|
0.1
|
NAQ
|
A:PXD704
|
3.4
|
45.0
|
0.9
|
CBB
|
A:PXD704
|
3.6
|
35.6
|
0.1
|
CBB
|
A:PXD704
|
3.7
|
36.3
|
0.9
|
SBF
|
A:PXD704
|
3.7
|
33.7
|
0.9
|
SBF
|
A:PXD704
|
3.7
|
36.8
|
0.1
|
NBD
|
A:PXD704
|
3.8
|
36.9
|
0.1
|
NBD
|
A:PXD704
|
3.8
|
36.1
|
0.9
|
OXT
|
A:F50705
|
4.4
|
63.9
|
1.0
|
CAJ
|
A:PXD704
|
4.5
|
30.4
|
0.9
|
CAW
|
A:PXD704
|
4.5
|
31.5
|
0.9
|
OAD
|
A:PXD704
|
4.5
|
32.0
|
0.9
|
OAD
|
A:PXD704
|
4.5
|
34.2
|
0.1
|
CAX
|
A:PXD704
|
4.6
|
34.1
|
0.1
|
CAW
|
A:PXD704
|
4.6
|
33.9
|
0.1
|
CAX
|
A:PXD704
|
4.7
|
34.5
|
0.9
|
CAJ
|
A:PXD704
|
4.7
|
32.5
|
0.1
|
OX1
|
A:F50705
|
4.8
|
68.7
|
1.0
|
CAZ
|
A:PXD704
|
4.9
|
33.6
|
0.1
|
CAZ
|
A:PXD704
|
4.9
|
32.5
|
0.9
|
OAS
|
A:PXD704
|
5.0
|
32.5
|
0.1
|
NH1
|
A:ARG377
|
5.0
|
34.3
|
1.0
|
|
Fluorine binding site 9 out
of 10 in 5wj1
Go back to
Fluorine Binding Sites List in 5wj1
Fluorine binding site 9 out
of 10 in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F704
b:33.6
occ:0.11
|
FAG
|
A:PXD704
|
0.0
|
33.6
|
0.1
|
FAG
|
A:PXD704
|
0.1
|
30.7
|
0.9
|
CBE
|
A:PXD704
|
1.3
|
34.2
|
0.9
|
CBE
|
A:PXD704
|
1.4
|
34.7
|
0.1
|
FAI
|
A:PXD704
|
2.2
|
35.4
|
0.9
|
FAH
|
A:PXD704
|
2.2
|
36.3
|
0.1
|
FAI
|
A:PXD704
|
2.2
|
35.7
|
0.1
|
FAH
|
A:PXD704
|
2.2
|
39.2
|
0.9
|
NAR
|
A:PXD704
|
2.2
|
40.7
|
0.1
|
CAY
|
A:PXD704
|
2.3
|
33.7
|
0.9
|
NAR
|
A:PXD704
|
2.3
|
40.9
|
0.9
|
CAY
|
A:PXD704
|
2.4
|
33.8
|
0.1
|
CBA
|
A:PXD704
|
2.8
|
32.9
|
0.9
|
CBA
|
A:PXD704
|
2.9
|
33.3
|
0.1
|
SBF
|
A:PXD704
|
3.0
|
36.8
|
0.1
|
SBF
|
A:PXD704
|
3.0
|
33.7
|
0.9
|
CAV
|
A:PXD704
|
3.0
|
40.1
|
0.1
|
CAV
|
A:PXD704
|
3.1
|
41.2
|
0.9
|
CAL
|
A:PXD704
|
3.4
|
35.1
|
0.9
|
CAL
|
A:PXD704
|
3.5
|
33.2
|
0.1
|
NAQ
|
A:PXD704
|
3.7
|
40.7
|
0.1
|
OAC
|
A:PXD704
|
3.7
|
41.3
|
0.1
|
OAC
|
A:PXD704
|
3.7
|
42.6
|
0.9
|
NAQ
|
A:PXD704
|
3.8
|
45.0
|
0.9
|
NAP
|
A:PXD704
|
3.8
|
37.0
|
0.1
|
NAP
|
A:PXD704
|
3.9
|
35.0
|
0.9
|
CAW
|
A:PXD704
|
4.2
|
31.5
|
0.9
|
OAD
|
A:PXD704
|
4.2
|
34.2
|
0.1
|
OAD
|
A:PXD704
|
4.3
|
32.0
|
0.9
|
CAW
|
A:PXD704
|
4.3
|
33.9
|
0.1
|
CAJ
|
A:PXD704
|
4.6
|
30.4
|
0.9
|
O
|
A:HOH1387
|
4.7
|
26.9
|
0.3
|
CAJ
|
A:PXD704
|
4.7
|
32.5
|
0.1
|
NBD
|
A:PXD704
|
4.8
|
36.9
|
0.1
|
NBD
|
A:PXD704
|
4.8
|
36.1
|
0.9
|
CBB
|
A:PXD704
|
4.8
|
35.6
|
0.1
|
CAK
|
A:PXD704
|
4.9
|
36.2
|
0.9
|
CBB
|
A:PXD704
|
4.9
|
36.3
|
0.9
|
|
Fluorine binding site 10 out
of 10 in 5wj1
Go back to
Fluorine Binding Sites List in 5wj1
Fluorine binding site 10 out
of 10 in the Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Crystal Structure of Arabidopsis Thaliana Acetohydroxyacid Synthase in Complex with A Triazolopyrimidine Herbicide, Penoxsulam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F704
b:30.7
occ:0.89
|
FAG
|
A:PXD704
|
0.0
|
30.7
|
0.9
|
FAG
|
A:PXD704
|
0.1
|
33.6
|
0.1
|
CBE
|
A:PXD704
|
1.4
|
34.2
|
0.9
|
CBE
|
A:PXD704
|
1.4
|
34.7
|
0.1
|
FAH
|
A:PXD704
|
2.2
|
36.3
|
0.1
|
FAH
|
A:PXD704
|
2.2
|
39.2
|
0.9
|
FAI
|
A:PXD704
|
2.2
|
35.4
|
0.9
|
FAI
|
A:PXD704
|
2.2
|
35.7
|
0.1
|
NAR
|
A:PXD704
|
2.3
|
40.7
|
0.1
|
CAY
|
A:PXD704
|
2.4
|
33.7
|
0.9
|
NAR
|
A:PXD704
|
2.4
|
40.9
|
0.9
|
CAY
|
A:PXD704
|
2.5
|
33.8
|
0.1
|
CBA
|
A:PXD704
|
3.0
|
32.9
|
0.9
|
CBA
|
A:PXD704
|
3.0
|
33.3
|
0.1
|
CAV
|
A:PXD704
|
3.1
|
40.1
|
0.1
|
SBF
|
A:PXD704
|
3.1
|
36.8
|
0.1
|
SBF
|
A:PXD704
|
3.1
|
33.7
|
0.9
|
CAV
|
A:PXD704
|
3.2
|
41.2
|
0.9
|
CAL
|
A:PXD704
|
3.5
|
35.1
|
0.9
|
CAL
|
A:PXD704
|
3.6
|
33.2
|
0.1
|
NAQ
|
A:PXD704
|
3.7
|
40.7
|
0.1
|
NAQ
|
A:PXD704
|
3.8
|
45.0
|
0.9
|
OAC
|
A:PXD704
|
3.8
|
41.3
|
0.1
|
OAC
|
A:PXD704
|
3.8
|
42.6
|
0.9
|
NAP
|
A:PXD704
|
3.9
|
37.0
|
0.1
|
NAP
|
A:PXD704
|
4.0
|
35.0
|
0.9
|
CAW
|
A:PXD704
|
4.3
|
31.5
|
0.9
|
OAD
|
A:PXD704
|
4.4
|
34.2
|
0.1
|
OAD
|
A:PXD704
|
4.4
|
32.0
|
0.9
|
CAW
|
A:PXD704
|
4.4
|
33.9
|
0.1
|
O
|
A:HOH1387
|
4.7
|
26.9
|
0.3
|
CAJ
|
A:PXD704
|
4.7
|
30.4
|
0.9
|
NBD
|
A:PXD704
|
4.8
|
36.9
|
0.1
|
CAJ
|
A:PXD704
|
4.8
|
32.5
|
0.1
|
NBD
|
A:PXD704
|
4.8
|
36.1
|
0.9
|
CBB
|
A:PXD704
|
4.9
|
35.6
|
0.1
|
CBB
|
A:PXD704
|
5.0
|
36.3
|
0.9
|
|
Reference:
T.Lonhienne,
M.D.Garcia,
G.Pierens,
M.Mobli,
A.Nouwens,
L.W.Guddat.
Structural Insights Into the Mechanism of Inhibition of Ahas By Herbicides. Proc. Natl. Acad. Sci. V. 115 E1945 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29440497
DOI: 10.1073/PNAS.1714392115
Page generated: Thu Aug 1 16:41:31 2024
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