Fluorine in PDB 6deq: Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Penoxsulam
Enzymatic activity of Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Penoxsulam
All present enzymatic activity of Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Penoxsulam:
2.2.1.6;
Protein crystallography data
The structure of Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Penoxsulam, PDB code: 6deq
was solved by
M.D.Garcia,
L.W.Guddat,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
44.21 /
2.13
|
Space group
|
P 62 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
176.536,
176.536,
177.785,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
14.2 /
16.1
|
Other elements in 6deq:
The structure of Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Penoxsulam also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Penoxsulam
(pdb code 6deq). 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 Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Penoxsulam, PDB code: 6deq:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 10 in 6deq
Go back to
Fluorine Binding Sites List in 6deq
Fluorine binding site 1 out
of 10 in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the 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 Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Penoxsulam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F704
b:32.6
occ:0.52
|
FAE
|
A:PXD704
|
0.0
|
32.6
|
0.5
|
FAE
|
A:PXD704
|
0.8
|
41.0
|
0.5
|
CBC
|
A:PXD704
|
1.4
|
41.6
|
0.5
|
CBC
|
A:PXD704
|
1.9
|
40.3
|
0.5
|
FAF
|
A:PXD704
|
2.3
|
38.4
|
0.5
|
FAF
|
A:PXD704
|
2.3
|
43.8
|
0.5
|
CAN
|
A:PXD704
|
2.4
|
34.0
|
0.5
|
OAU
|
A:PXD704
|
2.6
|
32.9
|
0.5
|
OAU
|
A:PXD704
|
2.7
|
29.0
|
0.5
|
CAN
|
A:PXD704
|
2.7
|
33.7
|
0.5
|
O
|
A:HOH1106
|
3.0
|
42.3
|
1.0
|
O
|
A:HOH1318
|
3.1
|
0.5
|
1.0
|
NH2
|
A:ARG376
|
3.1
|
29.1
|
1.0
|
O
|
A:HOH1067
|
3.5
|
36.2
|
1.0
|
CB
|
A:ALA653
|
3.5
|
34.6
|
1.0
|
OAD
|
A:PXD704
|
3.8
|
23.6
|
0.5
|
CA
|
A:ALA653
|
3.9
|
33.6
|
1.0
|
O
|
A:HOH1440
|
3.9
|
34.7
|
1.0
|
CAW
|
A:PXD704
|
4.0
|
30.3
|
0.5
|
OAD
|
A:PXD704
|
4.0
|
27.2
|
0.5
|
CAW
|
A:PXD704
|
4.0
|
30.0
|
0.5
|
N
|
A:GLY654
|
4.0
|
31.1
|
1.0
|
CZ
|
A:ARG376
|
4.4
|
29.7
|
1.0
|
C
|
A:ALA653
|
4.4
|
33.0
|
1.0
|
O
|
A:ASP375
|
4.5
|
33.9
|
1.0
|
O
|
A:HOH1484
|
4.5
|
55.2
|
1.0
|
O
|
A:HOH1381
|
4.5
|
44.8
|
1.0
|
OAC
|
A:PXD704
|
4.5
|
31.4
|
0.5
|
O
|
A:HOH1155
|
4.6
|
46.5
|
1.0
|
CAK
|
A:PXD704
|
4.7
|
25.5
|
0.5
|
CAK
|
A:PXD704
|
4.7
|
25.6
|
0.5
|
SBF
|
A:PXD704
|
4.7
|
29.5
|
0.5
|
OAC
|
A:PXD704
|
4.8
|
20.0
|
0.5
|
O
|
A:HOH829
|
4.9
|
38.1
|
1.0
|
SBF
|
A:PXD704
|
4.9
|
28.1
|
0.5
|
CBA
|
A:PXD704
|
4.9
|
29.8
|
0.5
|
CBA
|
A:PXD704
|
5.0
|
29.1
|
0.5
|
|
Fluorine binding site 2 out
of 10 in 6deq
Go back to
Fluorine Binding Sites List in 6deq
Fluorine binding site 2 out
of 10 in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the 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 Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Penoxsulam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F704
b:41.0
occ:0.48
|
FAE
|
A:PXD704
|
0.0
|
41.0
|
0.5
|
CBC
|
A:PXD704
|
0.8
|
41.6
|
0.5
|
FAE
|
A:PXD704
|
0.8
|
32.6
|
0.5
|
CBC
|
A:PXD704
|
1.4
|
40.3
|
0.5
|
FAF
|
A:PXD704
|
1.5
|
43.8
|
0.5
|
CAN
|
A:PXD704
|
2.1
|
34.0
|
0.5
|
FAF
|
A:PXD704
|
2.3
|
38.4
|
0.5
|
CAN
|
A:PXD704
|
2.4
|
33.7
|
0.5
|
OAU
|
A:PXD704
|
2.6
|
32.9
|
0.5
|
OAU
|
A:PXD704
|
2.7
|
29.0
|
0.5
|
O
|
A:HOH1106
|
3.0
|
42.3
|
1.0
|
O
|
A:HOH1440
|
3.7
|
34.7
|
1.0
|
O
|
A:HOH1484
|
3.7
|
55.2
|
1.0
|
CB
|
A:ALA653
|
3.7
|
34.6
|
1.0
|
O
|
A:HOH1067
|
3.8
|
36.2
|
1.0
|
O
|
A:HOH1318
|
3.8
|
0.5
|
1.0
|
NH2
|
A:ARG376
|
3.8
|
29.1
|
1.0
|
N
|
A:GLY654
|
3.9
|
31.1
|
1.0
|
O
|
A:HOH1381
|
4.0
|
44.8
|
1.0
|
CAW
|
A:PXD704
|
4.1
|
30.3
|
0.5
|
CA
|
A:ALA653
|
4.1
|
33.6
|
1.0
|
CAW
|
A:PXD704
|
4.1
|
30.0
|
0.5
|
OAD
|
A:PXD704
|
4.2
|
23.6
|
0.5
|
OAD
|
A:PXD704
|
4.3
|
27.2
|
0.5
|
C
|
A:ALA653
|
4.3
|
33.0
|
1.0
|
O
|
A:HOH829
|
4.4
|
38.1
|
1.0
|
OAC
|
A:PXD704
|
4.4
|
31.4
|
0.5
|
OAC
|
A:PXD704
|
4.7
|
20.0
|
0.5
|
CA
|
A:GLY654
|
4.8
|
34.5
|
1.0
|
CAK
|
A:PXD704
|
4.8
|
25.5
|
0.5
|
CAK
|
A:PXD704
|
4.8
|
25.6
|
0.5
|
SBF
|
A:PXD704
|
4.9
|
29.5
|
0.5
|
O
|
A:HOH1155
|
5.0
|
46.5
|
1.0
|
|
Fluorine binding site 3 out
of 10 in 6deq
Go back to
Fluorine Binding Sites List in 6deq
Fluorine binding site 3 out
of 10 in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the 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 Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Penoxsulam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F704
b:43.8
occ:0.52
|
FAF
|
A:PXD704
|
0.0
|
43.8
|
0.5
|
CBC
|
A:PXD704
|
1.4
|
41.6
|
0.5
|
FAE
|
A:PXD704
|
1.5
|
41.0
|
0.5
|
CBC
|
A:PXD704
|
1.9
|
40.3
|
0.5
|
CAN
|
A:PXD704
|
2.1
|
33.7
|
0.5
|
FAE
|
A:PXD704
|
2.3
|
32.6
|
0.5
|
CAN
|
A:PXD704
|
2.4
|
34.0
|
0.5
|
O
|
A:HOH1484
|
2.8
|
55.2
|
1.0
|
OAU
|
A:PXD704
|
2.9
|
29.0
|
0.5
|
OAU
|
A:PXD704
|
2.9
|
32.9
|
0.5
|
O
|
A:HOH829
|
3.1
|
38.1
|
1.0
|
FAF
|
A:PXD704
|
3.2
|
38.4
|
0.5
|
CB
|
A:ALA653
|
3.8
|
34.6
|
1.0
|
OAC
|
A:PXD704
|
3.8
|
31.4
|
0.5
|
O
|
A:HOH1381
|
4.0
|
44.8
|
1.0
|
N
|
A:GLY654
|
4.1
|
31.1
|
1.0
|
OAC
|
A:PXD704
|
4.1
|
20.0
|
0.5
|
O
|
A:HOH1106
|
4.1
|
42.3
|
1.0
|
CAW
|
A:PXD704
|
4.2
|
30.0
|
0.5
|
CAW
|
A:PXD704
|
4.2
|
30.3
|
0.5
|
OAD
|
A:PXD704
|
4.4
|
23.6
|
0.5
|
C
|
A:ALA653
|
4.4
|
33.0
|
1.0
|
OAD
|
A:PXD704
|
4.4
|
27.2
|
0.5
|
CA
|
A:ALA653
|
4.4
|
33.6
|
1.0
|
O
|
A:HOH1440
|
4.5
|
34.7
|
1.0
|
CA
|
A:GLY654
|
4.7
|
34.5
|
1.0
|
SBF
|
A:PXD704
|
4.7
|
29.5
|
0.5
|
SBF
|
A:PXD704
|
4.8
|
28.1
|
0.5
|
NH2
|
A:ARG376
|
4.9
|
29.1
|
1.0
|
CAK
|
A:PXD704
|
5.0
|
25.5
|
0.5
|
|
Fluorine binding site 4 out
of 10 in 6deq
Go back to
Fluorine Binding Sites List in 6deq
Fluorine binding site 4 out
of 10 in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the 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 Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Penoxsulam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F704
b:38.4
occ:0.48
|
FAF
|
A:PXD704
|
0.0
|
38.4
|
0.5
|
CBC
|
A:PXD704
|
1.4
|
40.3
|
0.5
|
CAN
|
A:PXD704
|
1.6
|
34.0
|
0.5
|
CBC
|
A:PXD704
|
1.9
|
41.6
|
0.5
|
FAE
|
A:PXD704
|
2.3
|
32.6
|
0.5
|
FAE
|
A:PXD704
|
2.3
|
41.0
|
0.5
|
CAN
|
A:PXD704
|
2.3
|
33.7
|
0.5
|
OAU
|
A:PXD704
|
2.5
|
32.9
|
0.5
|
OAU
|
A:PXD704
|
2.7
|
29.0
|
0.5
|
O
|
A:HOH1440
|
2.9
|
34.7
|
1.0
|
FAF
|
A:PXD704
|
3.2
|
43.8
|
0.5
|
CAW
|
A:PXD704
|
3.4
|
30.3
|
0.5
|
NH2
|
A:ARG376
|
3.4
|
29.1
|
1.0
|
CAK
|
A:PXD704
|
3.4
|
25.6
|
0.5
|
CAK
|
A:PXD704
|
3.4
|
25.5
|
0.5
|
O
|
A:HOH1067
|
3.5
|
36.2
|
1.0
|
CB
|
A:ASP375
|
3.5
|
28.9
|
1.0
|
CAW
|
A:PXD704
|
3.5
|
30.0
|
0.5
|
CG
|
A:ASP375
|
3.5
|
38.3
|
1.0
|
OD2
|
A:ASP375
|
3.7
|
35.4
|
1.0
|
OD1
|
A:ASP375
|
4.0
|
33.7
|
1.0
|
O
|
A:ASP375
|
4.3
|
33.9
|
1.0
|
O
|
A:HOH1106
|
4.3
|
42.3
|
1.0
|
CZ
|
A:ARG376
|
4.6
|
29.7
|
1.0
|
CBA
|
A:PXD704
|
4.7
|
29.8
|
0.5
|
O
|
A:HOH1318
|
4.7
|
0.5
|
1.0
|
CAJ
|
A:PXD704
|
4.7
|
25.3
|
0.5
|
CA
|
A:ASP375
|
4.7
|
30.7
|
1.0
|
CAJ
|
A:PXD704
|
4.7
|
25.7
|
0.5
|
O
|
A:HOH1484
|
4.7
|
55.2
|
1.0
|
CBA
|
A:PXD704
|
4.8
|
29.1
|
0.5
|
C
|
A:ASP375
|
4.8
|
31.7
|
1.0
|
OAD
|
A:PXD704
|
4.9
|
23.6
|
0.5
|
|
Fluorine binding site 5 out
of 10 in 6deq
Go back to
Fluorine Binding Sites List in 6deq
Fluorine binding site 5 out
of 10 in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the 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 Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Penoxsulam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F704
b:29.8
occ:0.52
|
FAH
|
A:PXD704
|
0.0
|
29.8
|
0.5
|
FAH
|
A:PXD704
|
0.1
|
32.4
|
0.5
|
CBE
|
A:PXD704
|
1.3
|
31.1
|
0.5
|
CBE
|
A:PXD704
|
1.4
|
31.0
|
0.5
|
FAG
|
A:PXD704
|
2.2
|
29.1
|
0.5
|
FAI
|
A:PXD704
|
2.2
|
28.9
|
0.5
|
FAG
|
A:PXD704
|
2.2
|
28.5
|
0.5
|
FAI
|
A:PXD704
|
2.2
|
27.8
|
0.5
|
CAY
|
A:PXD704
|
2.3
|
28.0
|
0.5
|
CAY
|
A:PXD704
|
2.3
|
26.4
|
0.5
|
CAL
|
A:PXD704
|
2.5
|
27.4
|
0.5
|
CAL
|
A:PXD704
|
2.5
|
27.4
|
0.5
|
CBA
|
A:PXD704
|
3.6
|
29.1
|
0.5
|
CBA
|
A:PXD704
|
3.7
|
29.8
|
0.5
|
CAJ
|
A:PXD704
|
3.9
|
25.7
|
0.5
|
CAJ
|
A:PXD704
|
4.0
|
25.3
|
0.5
|
NAR
|
A:PXD704
|
4.3
|
29.3
|
0.5
|
NAR
|
A:PXD704
|
4.3
|
27.3
|
0.5
|
SBF
|
A:PXD704
|
4.6
|
28.1
|
0.5
|
CAV
|
A:PXD704
|
4.7
|
27.5
|
0.5
|
CAV
|
A:PXD704
|
4.7
|
27.7
|
0.5
|
SBF
|
A:PXD704
|
4.7
|
29.5
|
0.5
|
CAW
|
A:PXD704
|
4.7
|
30.0
|
0.5
|
CAW
|
A:PXD704
|
4.8
|
30.3
|
0.5
|
CAK
|
A:PXD704
|
4.8
|
25.5
|
0.5
|
CAK
|
A:PXD704
|
4.9
|
25.6
|
0.5
|
|
Fluorine binding site 6 out
of 10 in 6deq
Go back to
Fluorine Binding Sites List in 6deq
Fluorine binding site 6 out
of 10 in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the 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 Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Penoxsulam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F704
b:32.4
occ:0.48
|
FAH
|
A:PXD704
|
0.0
|
32.4
|
0.5
|
FAH
|
A:PXD704
|
0.1
|
29.8
|
0.5
|
CBE
|
A:PXD704
|
1.4
|
31.1
|
0.5
|
CBE
|
A:PXD704
|
1.4
|
31.0
|
0.5
|
FAI
|
A:PXD704
|
2.2
|
28.9
|
0.5
|
FAI
|
A:PXD704
|
2.2
|
27.8
|
0.5
|
FAG
|
A:PXD704
|
2.2
|
29.1
|
0.5
|
FAG
|
A:PXD704
|
2.2
|
28.5
|
0.5
|
CAY
|
A:PXD704
|
2.3
|
28.0
|
0.5
|
CAY
|
A:PXD704
|
2.4
|
26.4
|
0.5
|
CAL
|
A:PXD704
|
2.6
|
27.4
|
0.5
|
CAL
|
A:PXD704
|
2.6
|
27.4
|
0.5
|
CBA
|
A:PXD704
|
3.7
|
29.1
|
0.5
|
CBA
|
A:PXD704
|
3.8
|
29.8
|
0.5
|
CAJ
|
A:PXD704
|
4.0
|
25.7
|
0.5
|
CAJ
|
A:PXD704
|
4.1
|
25.3
|
0.5
|
NAR
|
A:PXD704
|
4.3
|
29.3
|
0.5
|
NAR
|
A:PXD704
|
4.4
|
27.3
|
0.5
|
CAV
|
A:PXD704
|
4.7
|
27.5
|
0.5
|
SBF
|
A:PXD704
|
4.7
|
28.1
|
0.5
|
CAV
|
A:PXD704
|
4.7
|
27.7
|
0.5
|
SBF
|
A:PXD704
|
4.7
|
29.5
|
0.5
|
CAW
|
A:PXD704
|
4.8
|
30.0
|
0.5
|
CAW
|
A:PXD704
|
4.8
|
30.3
|
0.5
|
CAK
|
A:PXD704
|
4.9
|
25.5
|
0.5
|
CAK
|
A:PXD704
|
5.0
|
25.6
|
0.5
|
|
Fluorine binding site 7 out
of 10 in 6deq
Go back to
Fluorine Binding Sites List in 6deq
Fluorine binding site 7 out
of 10 in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the 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 Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Penoxsulam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F704
b:28.9
occ:0.52
|
FAI
|
A:PXD704
|
0.0
|
28.9
|
0.5
|
FAI
|
A:PXD704
|
0.1
|
27.8
|
0.5
|
CBE
|
A:PXD704
|
1.3
|
31.1
|
0.5
|
CBE
|
A:PXD704
|
1.3
|
31.0
|
0.5
|
FAG
|
A:PXD704
|
2.2
|
29.1
|
0.5
|
FAH
|
A:PXD704
|
2.2
|
32.4
|
0.5
|
FAH
|
A:PXD704
|
2.2
|
29.8
|
0.5
|
FAG
|
A:PXD704
|
2.2
|
28.5
|
0.5
|
CAY
|
A:PXD704
|
2.3
|
28.0
|
0.5
|
CAY
|
A:PXD704
|
2.4
|
26.4
|
0.5
|
CAV
|
A:PXD704
|
2.8
|
27.5
|
0.5
|
CAV
|
A:PXD704
|
2.8
|
27.7
|
0.5
|
NAP
|
A:PXD704
|
2.9
|
26.6
|
0.5
|
NAR
|
A:PXD704
|
3.0
|
29.3
|
0.5
|
NAP
|
A:PXD704
|
3.0
|
26.2
|
0.5
|
NAR
|
A:PXD704
|
3.0
|
27.3
|
0.5
|
CBA
|
A:PXD704
|
3.1
|
29.1
|
0.5
|
CAL
|
A:PXD704
|
3.2
|
27.4
|
0.5
|
CBA
|
A:PXD704
|
3.2
|
29.8
|
0.5
|
CAL
|
A:PXD704
|
3.2
|
27.4
|
0.5
|
NAQ
|
A:PXD704
|
3.3
|
27.7
|
0.5
|
NAQ
|
A:PXD704
|
3.3
|
28.5
|
0.5
|
SBF
|
A:PXD704
|
3.6
|
28.1
|
0.5
|
CBB
|
A:PXD704
|
3.6
|
30.0
|
0.5
|
CBB
|
A:PXD704
|
3.6
|
29.9
|
0.5
|
SBF
|
A:PXD704
|
3.6
|
29.5
|
0.5
|
NBD
|
A:PXD704
|
3.7
|
27.7
|
0.5
|
NBD
|
A:PXD704
|
3.8
|
27.5
|
0.5
|
CAW
|
A:PXD704
|
4.4
|
30.0
|
0.5
|
OAD
|
A:PXD704
|
4.4
|
27.2
|
0.5
|
OAD
|
A:PXD704
|
4.4
|
23.6
|
0.5
|
CAJ
|
A:PXD704
|
4.5
|
25.7
|
0.5
|
CAW
|
A:PXD704
|
4.5
|
30.3
|
0.5
|
CAJ
|
A:PXD704
|
4.5
|
25.3
|
0.5
|
CAX
|
A:PXD704
|
4.6
|
29.6
|
0.5
|
CAX
|
A:PXD704
|
4.6
|
29.8
|
0.5
|
O
|
A:HOH1358
|
4.7
|
35.9
|
1.0
|
CAZ
|
A:PXD704
|
4.8
|
25.7
|
0.5
|
NH1
|
A:ARG376
|
4.9
|
28.3
|
1.0
|
OAC
|
A:PXD704
|
4.9
|
20.0
|
0.5
|
CAZ
|
A:PXD704
|
4.9
|
26.3
|
0.5
|
CAK
|
A:PXD704
|
4.9
|
25.5
|
0.5
|
OAC
|
A:PXD704
|
4.9
|
31.4
|
0.5
|
|
Fluorine binding site 8 out
of 10 in 6deq
Go back to
Fluorine Binding Sites List in 6deq
Fluorine binding site 8 out
of 10 in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the 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 Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Penoxsulam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F704
b:27.8
occ:0.48
|
FAI
|
A:PXD704
|
0.0
|
27.8
|
0.5
|
FAI
|
A:PXD704
|
0.1
|
28.9
|
0.5
|
CBE
|
A:PXD704
|
1.3
|
31.1
|
0.5
|
CBE
|
A:PXD704
|
1.4
|
31.0
|
0.5
|
FAH
|
A:PXD704
|
2.2
|
32.4
|
0.5
|
FAH
|
A:PXD704
|
2.2
|
29.8
|
0.5
|
FAG
|
A:PXD704
|
2.2
|
29.1
|
0.5
|
FAG
|
A:PXD704
|
2.3
|
28.5
|
0.5
|
CAY
|
A:PXD704
|
2.4
|
28.0
|
0.5
|
CAY
|
A:PXD704
|
2.4
|
26.4
|
0.5
|
CAV
|
A:PXD704
|
2.8
|
27.5
|
0.5
|
CAV
|
A:PXD704
|
2.8
|
27.7
|
0.5
|
NAP
|
A:PXD704
|
3.0
|
26.6
|
0.5
|
NAR
|
A:PXD704
|
3.0
|
29.3
|
0.5
|
NAP
|
A:PXD704
|
3.0
|
26.2
|
0.5
|
NAR
|
A:PXD704
|
3.1
|
27.3
|
0.5
|
CBA
|
A:PXD704
|
3.2
|
29.1
|
0.5
|
CAL
|
A:PXD704
|
3.2
|
27.4
|
0.5
|
NAQ
|
A:PXD704
|
3.3
|
27.7
|
0.5
|
CAL
|
A:PXD704
|
3.3
|
27.4
|
0.5
|
CBA
|
A:PXD704
|
3.3
|
29.8
|
0.5
|
NAQ
|
A:PXD704
|
3.3
|
28.5
|
0.5
|
CBB
|
A:PXD704
|
3.6
|
29.9
|
0.5
|
CBB
|
A:PXD704
|
3.6
|
30.0
|
0.5
|
SBF
|
A:PXD704
|
3.7
|
28.1
|
0.5
|
NBD
|
A:PXD704
|
3.7
|
27.7
|
0.5
|
SBF
|
A:PXD704
|
3.7
|
29.5
|
0.5
|
NBD
|
A:PXD704
|
3.8
|
27.5
|
0.5
|
OAD
|
A:PXD704
|
4.5
|
27.2
|
0.5
|
CAW
|
A:PXD704
|
4.5
|
30.0
|
0.5
|
OAD
|
A:PXD704
|
4.5
|
23.6
|
0.5
|
CAJ
|
A:PXD704
|
4.5
|
25.7
|
0.5
|
CAW
|
A:PXD704
|
4.6
|
30.3
|
0.5
|
CAJ
|
A:PXD704
|
4.6
|
25.3
|
0.5
|
CAX
|
A:PXD704
|
4.6
|
29.6
|
0.5
|
CAX
|
A:PXD704
|
4.6
|
29.8
|
0.5
|
O
|
A:HOH1358
|
4.6
|
35.9
|
1.0
|
CAZ
|
A:PXD704
|
4.7
|
25.7
|
0.5
|
CAZ
|
A:PXD704
|
4.8
|
26.3
|
0.5
|
NH1
|
A:ARG376
|
4.9
|
28.3
|
1.0
|
OAC
|
A:PXD704
|
4.9
|
20.0
|
0.5
|
|
Fluorine binding site 9 out
of 10 in 6deq
Go back to
Fluorine Binding Sites List in 6deq
Fluorine binding site 9 out
of 10 in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the 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 Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Penoxsulam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F704
b:28.5
occ:0.52
|
FAG
|
A:PXD704
|
0.0
|
28.5
|
0.5
|
FAG
|
A:PXD704
|
0.1
|
29.1
|
0.5
|
CBE
|
A:PXD704
|
1.4
|
31.0
|
0.5
|
CBE
|
A:PXD704
|
1.4
|
31.1
|
0.5
|
FAH
|
A:PXD704
|
2.2
|
29.8
|
0.5
|
FAI
|
A:PXD704
|
2.2
|
28.9
|
0.5
|
FAH
|
A:PXD704
|
2.2
|
32.4
|
0.5
|
FAI
|
A:PXD704
|
2.3
|
27.8
|
0.5
|
CAY
|
A:PXD704
|
2.3
|
28.0
|
0.5
|
CAY
|
A:PXD704
|
2.4
|
26.4
|
0.5
|
NAR
|
A:PXD704
|
2.4
|
29.3
|
0.5
|
NAR
|
A:PXD704
|
2.5
|
27.3
|
0.5
|
CBA
|
A:PXD704
|
2.8
|
29.1
|
0.5
|
CBA
|
A:PXD704
|
3.0
|
29.8
|
0.5
|
SBF
|
A:PXD704
|
3.0
|
28.1
|
0.5
|
SBF
|
A:PXD704
|
3.1
|
29.5
|
0.5
|
CAV
|
A:PXD704
|
3.2
|
27.7
|
0.5
|
CAV
|
A:PXD704
|
3.2
|
27.5
|
0.5
|
CAL
|
A:PXD704
|
3.4
|
27.4
|
0.5
|
CAL
|
A:PXD704
|
3.4
|
27.4
|
0.5
|
OAC
|
A:PXD704
|
3.7
|
20.0
|
0.5
|
NAQ
|
A:PXD704
|
3.7
|
27.7
|
0.5
|
NAQ
|
A:PXD704
|
3.8
|
28.5
|
0.5
|
OAC
|
A:PXD704
|
3.8
|
31.4
|
0.5
|
NAP
|
A:PXD704
|
4.1
|
26.6
|
0.5
|
NAP
|
A:PXD704
|
4.1
|
26.2
|
0.5
|
CAW
|
A:PXD704
|
4.2
|
30.0
|
0.5
|
CAW
|
A:PXD704
|
4.3
|
30.3
|
0.5
|
OAD
|
A:PXD704
|
4.3
|
27.2
|
0.5
|
OAD
|
A:PXD704
|
4.4
|
23.6
|
0.5
|
CAJ
|
A:PXD704
|
4.6
|
25.7
|
0.5
|
CAJ
|
A:PXD704
|
4.7
|
25.3
|
0.5
|
NBD
|
A:PXD704
|
4.8
|
27.7
|
0.5
|
CAK
|
A:PXD704
|
4.9
|
25.5
|
0.5
|
NBD
|
A:PXD704
|
4.9
|
27.5
|
0.5
|
|
Fluorine binding site 10 out
of 10 in 6deq
Go back to
Fluorine Binding Sites List in 6deq
Fluorine binding site 10 out
of 10 in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the 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 Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Penoxsulam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F704
b:29.1
occ:0.48
|
FAG
|
A:PXD704
|
0.0
|
29.1
|
0.5
|
FAG
|
A:PXD704
|
0.1
|
28.5
|
0.5
|
CBE
|
A:PXD704
|
1.4
|
31.1
|
0.5
|
CBE
|
A:PXD704
|
1.4
|
31.0
|
0.5
|
FAI
|
A:PXD704
|
2.2
|
28.9
|
0.5
|
FAH
|
A:PXD704
|
2.2
|
29.8
|
0.5
|
FAH
|
A:PXD704
|
2.2
|
32.4
|
0.5
|
FAI
|
A:PXD704
|
2.2
|
27.8
|
0.5
|
CAY
|
A:PXD704
|
2.4
|
28.0
|
0.5
|
CAY
|
A:PXD704
|
2.5
|
26.4
|
0.5
|
NAR
|
A:PXD704
|
2.5
|
29.3
|
0.5
|
NAR
|
A:PXD704
|
2.5
|
27.3
|
0.5
|
CBA
|
A:PXD704
|
3.0
|
29.1
|
0.5
|
CBA
|
A:PXD704
|
3.1
|
29.8
|
0.5
|
SBF
|
A:PXD704
|
3.1
|
28.1
|
0.5
|
CAV
|
A:PXD704
|
3.2
|
27.7
|
0.5
|
CAV
|
A:PXD704
|
3.2
|
27.5
|
0.5
|
SBF
|
A:PXD704
|
3.2
|
29.5
|
0.5
|
CAL
|
A:PXD704
|
3.5
|
27.4
|
0.5
|
CAL
|
A:PXD704
|
3.5
|
27.4
|
0.5
|
NAQ
|
A:PXD704
|
3.7
|
27.7
|
0.5
|
NAQ
|
A:PXD704
|
3.8
|
28.5
|
0.5
|
OAC
|
A:PXD704
|
3.8
|
20.0
|
0.5
|
OAC
|
A:PXD704
|
4.0
|
31.4
|
0.5
|
NAP
|
A:PXD704
|
4.1
|
26.6
|
0.5
|
NAP
|
A:PXD704
|
4.1
|
26.2
|
0.5
|
CAW
|
A:PXD704
|
4.3
|
30.0
|
0.5
|
OAD
|
A:PXD704
|
4.4
|
27.2
|
0.5
|
CAW
|
A:PXD704
|
4.4
|
30.3
|
0.5
|
OAD
|
A:PXD704
|
4.5
|
23.6
|
0.5
|
CAJ
|
A:PXD704
|
4.7
|
25.7
|
0.5
|
NBD
|
A:PXD704
|
4.8
|
27.7
|
0.5
|
CAJ
|
A:PXD704
|
4.8
|
25.3
|
0.5
|
NBD
|
A:PXD704
|
4.8
|
27.5
|
0.5
|
CBB
|
A:PXD704
|
5.0
|
30.0
|
0.5
|
CBB
|
A:PXD704
|
5.0
|
29.9
|
0.5
|
|
Reference:
M.D.Garcia,
S.M.H.Chua,
Y.S.Low,
Y.T.Lee,
K.Agnew-Francis,
J.G.Wang,
A.Nouwens,
T.Lonhienne,
C.M.Williams,
J.A.Fraser,
L.W.Guddat.
Commercial Ahas-Inhibiting Herbicides Are Promising Drug Leads For the Treatment of Human Fungal Pathogenic Infections. Proc. Natl. Acad. Sci. V. 115 E9649 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30249642
DOI: 10.1073/PNAS.1809422115
Page generated: Thu Aug 1 18:53:28 2024
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