Fluorine in PDB 8u57: Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa)
Protein crystallography data
The structure of Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa), PDB code: 8u57
was solved by
J.L.Pederick,
R.L.Frkic,
D.P.Mcdougal,
J.B.Bruning,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
33.09 /
2.00
|
Space group
|
P 43 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
66.171,
66.171,
156.936,
90,
90,
90
|
R / Rfree (%)
|
22.1 /
25.4
|
Fluorine Binding Sites:
Fluorine binding site 1 out
of 60 in 8u57
Go back to
Fluorine Binding Sites List in 8u57
Fluorine binding site 1 out
of 60 in the Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa)
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F501
b:55.6
occ:0.45
|
F01
|
A:8PF501
|
0.0
|
55.6
|
0.5
|
C02
|
A:8PF501
|
1.4
|
58.5
|
0.5
|
F14
|
A:8PF501
|
2.1
|
59.9
|
0.5
|
F03
|
A:8PF501
|
2.2
|
63.0
|
0.5
|
F21
|
A:8PF505
|
2.2
|
57.5
|
0.5
|
C04
|
A:8PF501
|
2.4
|
55.8
|
0.5
|
C10
|
A:8PF501
|
2.4
|
60.0
|
0.5
|
F05
|
A:8PF501
|
2.5
|
59.2
|
0.5
|
C13
|
A:8PF501
|
2.5
|
58.1
|
0.5
|
F15
|
A:8PF501
|
2.8
|
60.8
|
0.5
|
F06
|
A:8PF501
|
3.0
|
58.8
|
0.5
|
F11
|
A:8PF501
|
3.3
|
56.1
|
0.5
|
F12
|
A:8PF501
|
3.3
|
58.8
|
0.5
|
C19
|
A:8PF505
|
3.4
|
55.6
|
0.5
|
F23
|
A:8PF505
|
3.5
|
64.1
|
0.5
|
CG2
|
A:VAL315
|
3.5
|
46.0
|
1.0
|
F20
|
A:8PF505
|
3.5
|
60.5
|
0.5
|
F12
|
A:8PF505
|
3.6
|
61.1
|
0.5
|
C07
|
A:8PF501
|
3.6
|
48.5
|
0.5
|
C16
|
A:8PF501
|
4.0
|
56.3
|
0.5
|
O09
|
A:8PF501
|
4.0
|
48.3
|
0.5
|
C22
|
A:8PF505
|
4.0
|
57.1
|
0.5
|
F17
|
A:8PF501
|
4.4
|
52.6
|
0.5
|
C16
|
A:8PF505
|
4.5
|
60.5
|
0.5
|
F20
|
A:8PF501
|
4.6
|
64.8
|
0.5
|
F18
|
A:8PF505
|
4.6
|
62.9
|
0.5
|
O08
|
A:8PF501
|
4.6
|
46.2
|
0.5
|
F18
|
A:8PF501
|
4.7
|
53.6
|
0.5
|
F25
|
A:8PF501
|
4.7
|
57.2
|
0.5
|
F24
|
A:8PF505
|
4.7
|
45.8
|
0.5
|
CB
|
A:VAL315
|
4.8
|
37.9
|
1.0
|
F05
|
A:8PF505
|
4.8
|
70.4
|
0.5
|
C10
|
A:8PF505
|
4.8
|
64.4
|
0.5
|
C19
|
A:8PF501
|
4.9
|
55.9
|
0.5
|
CG1
|
A:VAL315
|
4.9
|
44.8
|
1.0
|
F14
|
A:8PF505
|
5.0
|
62.1
|
0.5
|
|
Fluorine binding site 2 out
of 60 in 8u57
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Fluorine Binding Sites List in 8u57
Fluorine binding site 2 out
of 60 in the Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa)
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F501
b:63.0
occ:0.45
|
F03
|
A:8PF501
|
0.0
|
63.0
|
0.5
|
C02
|
A:8PF501
|
1.4
|
58.5
|
0.5
|
F01
|
A:8PF501
|
2.2
|
55.6
|
0.5
|
C04
|
A:8PF501
|
2.4
|
55.8
|
0.5
|
C10
|
A:8PF501
|
2.4
|
60.0
|
0.5
|
F11
|
A:8PF501
|
2.4
|
56.1
|
0.5
|
O09
|
A:8PF501
|
2.5
|
48.3
|
0.5
|
C07
|
A:8PF501
|
2.6
|
48.5
|
0.5
|
F05
|
A:8PF501
|
3.0
|
59.2
|
0.5
|
F21
|
A:8PF505
|
3.2
|
57.5
|
0.5
|
F12
|
A:8PF501
|
3.3
|
58.8
|
0.5
|
F23
|
A:8PF505
|
3.4
|
64.1
|
0.5
|
F14
|
A:8PF501
|
3.4
|
59.9
|
0.5
|
C13
|
A:8PF501
|
3.5
|
58.1
|
0.5
|
F06
|
A:8PF501
|
3.5
|
58.8
|
0.5
|
CG2
|
A:VAL315
|
3.5
|
46.0
|
1.0
|
O08
|
A:8PF501
|
3.7
|
46.2
|
0.5
|
C22
|
A:8PF505
|
4.3
|
57.1
|
0.5
|
F15
|
A:8PF501
|
4.3
|
60.8
|
0.5
|
C19
|
A:8PF505
|
4.3
|
55.6
|
0.5
|
NZ
|
A:LYS301
|
4.3
|
53.5
|
1.0
|
F24
|
A:8PF505
|
4.5
|
45.8
|
0.5
|
C16
|
A:8PF501
|
4.5
|
56.3
|
0.5
|
CD1
|
A:LEU318
|
4.6
|
42.9
|
1.0
|
O
|
A:HOH663
|
4.6
|
46.6
|
1.0
|
F17
|
A:8PF501
|
4.6
|
52.6
|
0.5
|
CB
|
A:VAL315
|
4.8
|
37.9
|
1.0
|
CD1
|
A:LEU311
|
4.8
|
45.0
|
1.0
|
F18
|
A:8PF501
|
4.8
|
53.6
|
0.5
|
CG2
|
A:THR297
|
4.8
|
38.6
|
1.0
|
CA
|
A:VAL315
|
4.9
|
37.2
|
1.0
|
F20
|
A:8PF505
|
4.9
|
60.5
|
0.5
|
|
Fluorine binding site 3 out
of 60 in 8u57
Go back to
Fluorine Binding Sites List in 8u57
Fluorine binding site 3 out
of 60 in the Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa)
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F501
b:59.2
occ:0.45
|
F05
|
A:8PF501
|
0.0
|
59.2
|
0.5
|
C04
|
A:8PF501
|
1.4
|
55.8
|
0.5
|
F06
|
A:8PF501
|
2.2
|
58.8
|
0.5
|
C07
|
A:8PF501
|
2.4
|
48.5
|
0.5
|
C02
|
A:8PF501
|
2.4
|
58.5
|
0.5
|
F01
|
A:8PF501
|
2.5
|
55.6
|
0.5
|
O09
|
A:8PF501
|
2.9
|
48.3
|
0.5
|
F03
|
A:8PF501
|
3.0
|
63.0
|
0.5
|
O08
|
A:8PF501
|
3.3
|
46.2
|
0.5
|
C10
|
A:8PF501
|
3.6
|
60.0
|
0.5
|
F12
|
A:8PF501
|
3.8
|
58.8
|
0.5
|
F15
|
A:8PF501
|
4.3
|
60.8
|
0.5
|
C13
|
A:8PF501
|
4.4
|
58.1
|
0.5
|
F23
|
A:8PF505
|
4.5
|
64.1
|
0.5
|
F21
|
A:8PF505
|
4.5
|
57.5
|
0.5
|
F14
|
A:8PF501
|
4.5
|
59.9
|
0.5
|
F11
|
A:8PF501
|
4.6
|
56.1
|
0.5
|
O
|
A:HOH663
|
4.7
|
46.6
|
1.0
|
|
Fluorine binding site 4 out
of 60 in 8u57
Go back to
Fluorine Binding Sites List in 8u57
Fluorine binding site 4 out
of 60 in the Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa)
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F501
b:58.8
occ:0.45
|
F06
|
A:8PF501
|
0.0
|
58.8
|
0.5
|
C04
|
A:8PF501
|
1.4
|
55.8
|
0.5
|
F12
|
A:8PF501
|
2.1
|
58.8
|
0.5
|
F05
|
A:8PF501
|
2.2
|
59.2
|
0.5
|
C07
|
A:8PF501
|
2.4
|
48.5
|
0.5
|
C02
|
A:8PF501
|
2.4
|
58.5
|
0.5
|
O08
|
A:8PF501
|
2.6
|
46.2
|
0.5
|
C10
|
A:8PF501
|
2.6
|
60.0
|
0.5
|
F23
|
A:8PF505
|
2.9
|
64.1
|
0.5
|
F01
|
A:8PF501
|
3.0
|
55.6
|
0.5
|
F15
|
A:8PF501
|
3.1
|
60.8
|
0.5
|
C13
|
A:8PF501
|
3.4
|
58.1
|
0.5
|
F03
|
A:8PF501
|
3.5
|
63.0
|
0.5
|
O09
|
A:8PF501
|
3.5
|
48.3
|
0.5
|
F11
|
A:8PF501
|
3.8
|
56.1
|
0.5
|
F20
|
A:8PF505
|
3.8
|
60.5
|
0.5
|
F21
|
A:8PF505
|
3.9
|
57.5
|
0.5
|
C22
|
A:8PF505
|
4.0
|
57.1
|
0.5
|
C19
|
A:8PF505
|
4.2
|
55.6
|
0.5
|
F14
|
A:8PF501
|
4.2
|
59.9
|
0.5
|
F25
|
A:8PF505
|
4.5
|
59.8
|
0.5
|
F18
|
A:8PF501
|
4.5
|
53.6
|
0.5
|
C16
|
A:8PF501
|
4.6
|
56.3
|
0.5
|
F20
|
A:8PF501
|
5.0
|
64.8
|
0.5
|
|
Fluorine binding site 5 out
of 60 in 8u57
Go back to
Fluorine Binding Sites List in 8u57
Fluorine binding site 5 out
of 60 in the Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa)
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F501
b:56.1
occ:0.45
|
F11
|
A:8PF501
|
0.0
|
56.1
|
0.5
|
C10
|
A:8PF501
|
1.4
|
60.0
|
0.5
|
F23
|
A:8PF505
|
1.7
|
64.1
|
0.5
|
F24
|
A:8PF505
|
2.1
|
45.8
|
0.5
|
C22
|
A:8PF505
|
2.2
|
57.1
|
0.5
|
F12
|
A:8PF501
|
2.2
|
58.8
|
0.5
|
C13
|
A:8PF501
|
2.4
|
58.1
|
0.5
|
C02
|
A:8PF501
|
2.4
|
58.5
|
0.5
|
F21
|
A:8PF505
|
2.4
|
57.5
|
0.5
|
F03
|
A:8PF501
|
2.4
|
63.0
|
0.5
|
F18
|
A:8PF501
|
2.6
|
53.6
|
0.5
|
C16
|
A:8PF501
|
2.7
|
56.3
|
0.5
|
F17
|
A:8PF501
|
2.7
|
52.6
|
0.5
|
C19
|
A:8PF505
|
2.8
|
55.6
|
0.5
|
F14
|
A:8PF501
|
2.9
|
59.9
|
0.5
|
CD1
|
A:LEU318
|
3.2
|
42.9
|
1.0
|
F01
|
A:8PF501
|
3.3
|
55.6
|
0.5
|
F25
|
A:8PF505
|
3.5
|
59.8
|
0.5
|
C04
|
A:8PF501
|
3.5
|
55.8
|
0.5
|
F15
|
A:8PF501
|
3.5
|
60.8
|
0.5
|
F18
|
A:8PF505
|
3.8
|
62.9
|
0.5
|
C07
|
A:8PF501
|
3.8
|
48.5
|
0.5
|
F06
|
A:8PF501
|
3.8
|
58.8
|
0.5
|
F20
|
A:8PF505
|
3.8
|
60.5
|
0.5
|
C16
|
A:8PF505
|
3.8
|
60.5
|
0.5
|
OG1
|
A:THR297
|
3.9
|
33.6
|
1.0
|
CG2
|
A:THR297
|
3.9
|
38.6
|
1.0
|
C19
|
A:8PF501
|
4.2
|
55.9
|
0.5
|
O09
|
A:8PF501
|
4.2
|
48.3
|
0.5
|
O08
|
A:8PF501
|
4.2
|
46.2
|
0.5
|
CB
|
A:LEU318
|
4.3
|
41.0
|
1.0
|
F17
|
A:8PF505
|
4.3
|
55.9
|
0.5
|
CG
|
A:LEU318
|
4.3
|
39.5
|
1.0
|
CG2
|
A:VAL315
|
4.4
|
46.0
|
1.0
|
CB
|
A:THR297
|
4.5
|
35.4
|
1.0
|
F05
|
A:8PF501
|
4.6
|
59.2
|
0.5
|
F20
|
A:8PF501
|
4.7
|
64.8
|
0.5
|
CA
|
A:VAL315
|
4.8
|
37.2
|
1.0
|
F21
|
A:8PF501
|
4.9
|
55.9
|
0.5
|
F12
|
A:8PF505
|
4.9
|
61.1
|
0.5
|
F25
|
A:8PF501
|
4.9
|
57.2
|
0.5
|
F24
|
A:8PF501
|
4.9
|
59.4
|
0.5
|
C22
|
A:8PF501
|
5.0
|
58.8
|
0.5
|
|
Fluorine binding site 6 out
of 60 in 8u57
Go back to
Fluorine Binding Sites List in 8u57
Fluorine binding site 6 out
of 60 in the Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa)
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F501
b:58.8
occ:0.45
|
F12
|
A:8PF501
|
0.0
|
58.8
|
0.5
|
F23
|
A:8PF505
|
0.9
|
64.1
|
0.5
|
C10
|
A:8PF501
|
1.4
|
60.0
|
0.5
|
F06
|
A:8PF501
|
2.1
|
58.8
|
0.5
|
C22
|
A:8PF505
|
2.2
|
57.1
|
0.5
|
F11
|
A:8PF501
|
2.2
|
56.1
|
0.5
|
C13
|
A:8PF501
|
2.4
|
58.1
|
0.5
|
C02
|
A:8PF501
|
2.4
|
58.5
|
0.5
|
C04
|
A:8PF501
|
2.5
|
55.8
|
0.5
|
F15
|
A:8PF501
|
2.6
|
60.8
|
0.5
|
F18
|
A:8PF501
|
2.6
|
53.6
|
0.5
|
F25
|
A:8PF505
|
2.8
|
59.8
|
0.5
|
C19
|
A:8PF505
|
2.9
|
55.6
|
0.5
|
F21
|
A:8PF505
|
3.0
|
57.5
|
0.5
|
C16
|
A:8PF501
|
3.0
|
56.3
|
0.5
|
C07
|
A:8PF501
|
3.1
|
48.5
|
0.5
|
F20
|
A:8PF505
|
3.1
|
60.5
|
0.5
|
F24
|
A:8PF505
|
3.1
|
45.8
|
0.5
|
O08
|
A:8PF501
|
3.2
|
46.2
|
0.5
|
F03
|
A:8PF501
|
3.3
|
63.0
|
0.5
|
F01
|
A:8PF501
|
3.3
|
55.6
|
0.5
|
F14
|
A:8PF501
|
3.5
|
59.9
|
0.5
|
F05
|
A:8PF501
|
3.8
|
59.2
|
0.5
|
OG1
|
A:THR297
|
3.9
|
33.6
|
1.0
|
CG2
|
A:THR297
|
3.9
|
38.6
|
1.0
|
F17
|
A:8PF501
|
3.9
|
52.6
|
0.5
|
O09
|
A:8PF501
|
4.1
|
48.3
|
0.5
|
C19
|
A:8PF501
|
4.1
|
55.9
|
0.5
|
F20
|
A:8PF501
|
4.1
|
64.8
|
0.5
|
C16
|
A:8PF505
|
4.3
|
60.5
|
0.5
|
CB
|
A:THR297
|
4.4
|
35.4
|
1.0
|
F21
|
A:8PF501
|
4.6
|
55.9
|
0.5
|
F17
|
A:8PF505
|
4.7
|
55.9
|
0.5
|
F18
|
A:8PF505
|
4.9
|
62.9
|
0.5
|
CD1
|
A:LEU318
|
5.0
|
42.9
|
1.0
|
|
Fluorine binding site 7 out
of 60 in 8u57
Go back to
Fluorine Binding Sites List in 8u57
Fluorine binding site 7 out
of 60 in the Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa)
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F501
b:59.9
occ:0.45
|
F14
|
A:8PF501
|
0.0
|
59.9
|
0.5
|
F21
|
A:8PF505
|
0.6
|
57.5
|
0.5
|
C13
|
A:8PF501
|
1.4
|
58.1
|
0.5
|
C19
|
A:8PF505
|
1.8
|
55.6
|
0.5
|
F12
|
A:8PF505
|
2.0
|
61.1
|
0.5
|
F01
|
A:8PF501
|
2.1
|
55.6
|
0.5
|
F15
|
A:8PF501
|
2.2
|
60.8
|
0.5
|
C16
|
A:8PF501
|
2.4
|
56.3
|
0.5
|
C10
|
A:8PF501
|
2.4
|
60.0
|
0.5
|
F20
|
A:8PF505
|
2.4
|
60.5
|
0.5
|
C16
|
A:8PF505
|
2.5
|
60.5
|
0.5
|
F18
|
A:8PF505
|
2.5
|
62.9
|
0.5
|
F17
|
A:8PF501
|
2.6
|
52.6
|
0.5
|
F25
|
A:8PF501
|
2.7
|
57.2
|
0.5
|
C02
|
A:8PF501
|
2.7
|
58.5
|
0.5
|
C22
|
A:8PF505
|
2.9
|
57.1
|
0.5
|
F11
|
A:8PF501
|
2.9
|
56.1
|
0.5
|
C10
|
A:8PF505
|
3.0
|
64.4
|
0.5
|
C13
|
A:8PF505
|
3.1
|
56.6
|
0.5
|
C19
|
A:8PF501
|
3.1
|
55.9
|
0.5
|
F20
|
A:8PF501
|
3.2
|
64.8
|
0.5
|
F23
|
A:8PF505
|
3.2
|
64.1
|
0.5
|
C22
|
A:8PF501
|
3.4
|
58.8
|
0.5
|
F03
|
A:8PF501
|
3.4
|
63.0
|
0.5
|
F14
|
A:8PF505
|
3.4
|
62.1
|
0.5
|
F24
|
A:8PF505
|
3.4
|
45.8
|
0.5
|
CG2
|
A:VAL315
|
3.5
|
46.0
|
1.0
|
F18
|
A:8PF501
|
3.5
|
53.6
|
0.5
|
F12
|
A:8PF501
|
3.5
|
58.8
|
0.5
|
F17
|
A:8PF505
|
3.7
|
55.9
|
0.5
|
F11
|
A:8PF505
|
3.7
|
64.4
|
0.5
|
CG1
|
A:VAL315
|
3.7
|
44.8
|
1.0
|
F24
|
A:8PF501
|
4.0
|
59.4
|
0.5
|
C04
|
A:8PF501
|
4.0
|
55.8
|
0.5
|
F25
|
A:8PF505
|
4.0
|
59.8
|
0.5
|
CB
|
A:VAL315
|
4.1
|
37.9
|
1.0
|
F05
|
A:8PF505
|
4.2
|
70.4
|
0.5
|
C02
|
A:8PF505
|
4.2
|
63.3
|
0.5
|
F06
|
A:8PF501
|
4.2
|
58.8
|
0.5
|
F03
|
A:8PF505
|
4.3
|
66.4
|
0.5
|
F21
|
A:8PF501
|
4.4
|
55.9
|
0.5
|
F15
|
A:8PF505
|
4.4
|
65.6
|
0.5
|
F05
|
A:8PF501
|
4.5
|
59.2
|
0.5
|
F23
|
A:8PF501
|
4.6
|
66.1
|
0.5
|
C04
|
A:8PF505
|
4.6
|
69.9
|
0.5
|
CA
|
A:VAL315
|
4.6
|
37.2
|
1.0
|
F06
|
A:8PF505
|
4.7
|
67.1
|
0.5
|
|
Fluorine binding site 8 out
of 60 in 8u57
Go back to
Fluorine Binding Sites List in 8u57
Fluorine binding site 8 out
of 60 in the Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa)
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F501
b:60.8
occ:0.45
|
F15
|
A:8PF501
|
0.0
|
60.8
|
0.5
|
F20
|
A:8PF505
|
0.8
|
60.5
|
0.5
|
C13
|
A:8PF501
|
1.4
|
58.1
|
0.5
|
C19
|
A:8PF505
|
1.6
|
55.6
|
0.5
|
F21
|
A:8PF505
|
2.0
|
57.5
|
0.5
|
F20
|
A:8PF501
|
2.0
|
64.8
|
0.5
|
F14
|
A:8PF501
|
2.2
|
59.9
|
0.5
|
C10
|
A:8PF501
|
2.4
|
60.0
|
0.5
|
C16
|
A:8PF501
|
2.4
|
56.3
|
0.5
|
C22
|
A:8PF505
|
2.5
|
57.1
|
0.5
|
F23
|
A:8PF505
|
2.6
|
64.1
|
0.5
|
F12
|
A:8PF501
|
2.6
|
58.8
|
0.5
|
C19
|
A:8PF501
|
2.7
|
55.9
|
0.5
|
F14
|
A:8PF505
|
2.8
|
62.1
|
0.5
|
F01
|
A:8PF501
|
2.8
|
55.6
|
0.5
|
F25
|
A:8PF505
|
2.9
|
59.8
|
0.5
|
C16
|
A:8PF505
|
3.0
|
60.5
|
0.5
|
F18
|
A:8PF501
|
3.0
|
53.6
|
0.5
|
C02
|
A:8PF501
|
3.0
|
58.5
|
0.5
|
F06
|
A:8PF501
|
3.1
|
58.8
|
0.5
|
C13
|
A:8PF505
|
3.3
|
56.6
|
0.5
|
F12
|
A:8PF505
|
3.4
|
61.1
|
0.5
|
F11
|
A:8PF501
|
3.5
|
56.1
|
0.5
|
F17
|
A:8PF501
|
3.5
|
52.6
|
0.5
|
F25
|
A:8PF501
|
3.6
|
57.2
|
0.5
|
C04
|
A:8PF501
|
3.6
|
55.8
|
0.5
|
F21
|
A:8PF501
|
3.6
|
55.9
|
0.5
|
F24
|
A:8PF505
|
3.7
|
45.8
|
0.5
|
C22
|
A:8PF501
|
3.7
|
58.8
|
0.5
|
F17
|
A:8PF505
|
3.7
|
55.9
|
0.5
|
F18
|
A:8PF505
|
3.9
|
62.9
|
0.5
|
C10
|
A:8PF505
|
3.9
|
64.4
|
0.5
|
F03
|
A:8PF505
|
4.2
|
66.4
|
0.5
|
F05
|
A:8PF501
|
4.3
|
59.2
|
0.5
|
F03
|
A:8PF501
|
4.3
|
63.0
|
0.5
|
F15
|
A:8PF505
|
4.5
|
65.6
|
0.5
|
F23
|
A:8PF501
|
4.6
|
66.1
|
0.5
|
F24
|
A:8PF501
|
4.7
|
59.4
|
0.5
|
C02
|
A:8PF505
|
4.7
|
63.3
|
0.5
|
CD1
|
A:LEU468
|
4.8
|
49.7
|
1.0
|
C07
|
A:8PF501
|
4.9
|
48.5
|
0.5
|
F05
|
A:8PF505
|
4.9
|
70.4
|
0.5
|
|
Fluorine binding site 9 out
of 60 in 8u57
Go back to
Fluorine Binding Sites List in 8u57
Fluorine binding site 9 out
of 60 in the Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa)
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F501
b:52.6
occ:0.45
|
F17
|
A:8PF501
|
0.0
|
52.6
|
0.5
|
F18
|
A:8PF505
|
1.3
|
62.9
|
0.5
|
C16
|
A:8PF501
|
1.4
|
56.3
|
0.5
|
C16
|
A:8PF505
|
1.6
|
60.5
|
0.5
|
F24
|
A:8PF505
|
1.6
|
45.8
|
0.5
|
C19
|
A:8PF505
|
1.9
|
55.6
|
0.5
|
F17
|
A:8PF505
|
2.0
|
55.9
|
0.5
|
C22
|
A:8PF505
|
2.1
|
57.1
|
0.5
|
F18
|
A:8PF501
|
2.2
|
53.6
|
0.5
|
F21
|
A:8PF505
|
2.2
|
57.5
|
0.5
|
F24
|
A:8PF501
|
2.2
|
59.4
|
0.5
|
C19
|
A:8PF501
|
2.4
|
55.9
|
0.5
|
C13
|
A:8PF501
|
2.4
|
58.1
|
0.5
|
C22
|
A:8PF501
|
2.5
|
58.8
|
0.5
|
F14
|
A:8PF501
|
2.6
|
59.9
|
0.5
|
F11
|
A:8PF501
|
2.7
|
56.1
|
0.5
|
F25
|
A:8PF501
|
2.8
|
57.2
|
0.5
|
C13
|
A:8PF505
|
3.1
|
56.6
|
0.5
|
F25
|
A:8PF505
|
3.1
|
59.8
|
0.5
|
C10
|
A:8PF501
|
3.1
|
60.0
|
0.5
|
F21
|
A:8PF501
|
3.1
|
55.9
|
0.5
|
F23
|
A:8PF505
|
3.1
|
64.1
|
0.5
|
F20
|
A:8PF505
|
3.2
|
60.5
|
0.5
|
F20
|
A:8PF501
|
3.4
|
64.8
|
0.5
|
F15
|
A:8PF501
|
3.5
|
60.8
|
0.5
|
F12
|
A:8PF505
|
3.5
|
61.1
|
0.5
|
C10
|
A:8PF505
|
3.7
|
64.4
|
0.5
|
F15
|
A:8PF505
|
3.8
|
65.6
|
0.5
|
F11
|
A:8PF505
|
3.8
|
64.4
|
0.5
|
CB
|
A:LEU318
|
3.8
|
41.0
|
1.0
|
F23
|
A:8PF501
|
3.9
|
66.1
|
0.5
|
F14
|
A:8PF505
|
3.9
|
62.1
|
0.5
|
F12
|
A:8PF501
|
3.9
|
58.8
|
0.5
|
O
|
A:VAL315
|
4.0
|
37.6
|
1.0
|
C02
|
A:8PF501
|
4.3
|
58.5
|
0.5
|
N
|
A:LYS319
|
4.3
|
37.5
|
1.0
|
CG1
|
A:VAL315
|
4.3
|
44.8
|
1.0
|
F01
|
A:8PF501
|
4.4
|
55.6
|
0.5
|
CA
|
A:VAL315
|
4.5
|
37.2
|
1.0
|
CD1
|
A:LEU318
|
4.5
|
42.9
|
1.0
|
C
|
A:LEU318
|
4.6
|
47.2
|
1.0
|
F03
|
A:8PF501
|
4.6
|
63.0
|
0.5
|
CA
|
A:LYS319
|
4.6
|
43.7
|
1.0
|
C
|
A:VAL315
|
4.7
|
35.1
|
1.0
|
CB
|
A:VAL315
|
4.7
|
37.9
|
1.0
|
CG2
|
A:VAL315
|
4.7
|
46.0
|
1.0
|
CB
|
A:LYS319
|
4.7
|
52.4
|
1.0
|
CG
|
A:LEU318
|
4.8
|
39.5
|
1.0
|
CA
|
A:LEU318
|
4.8
|
32.6
|
1.0
|
|
Fluorine binding site 10 out
of 60 in 8u57
Go back to
Fluorine Binding Sites List in 8u57
Fluorine binding site 10 out
of 60 in the Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa)
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F501
b:53.6
occ:0.45
|
F18
|
A:8PF501
|
0.0
|
53.6
|
0.5
|
C22
|
A:8PF505
|
0.7
|
57.1
|
0.5
|
F25
|
A:8PF505
|
1.0
|
59.8
|
0.5
|
F24
|
A:8PF505
|
1.2
|
45.8
|
0.5
|
C16
|
A:8PF501
|
1.4
|
56.3
|
0.5
|
F23
|
A:8PF505
|
1.8
|
64.1
|
0.5
|
C19
|
A:8PF505
|
2.0
|
55.6
|
0.5
|
F17
|
A:8PF501
|
2.2
|
52.6
|
0.5
|
F17
|
A:8PF505
|
2.4
|
55.9
|
0.5
|
C19
|
A:8PF501
|
2.4
|
55.9
|
0.5
|
C13
|
A:8PF501
|
2.4
|
58.1
|
0.5
|
F21
|
A:8PF501
|
2.5
|
55.9
|
0.5
|
F11
|
A:8PF501
|
2.6
|
56.1
|
0.5
|
F12
|
A:8PF501
|
2.6
|
58.8
|
0.5
|
C10
|
A:8PF501
|
2.6
|
60.0
|
0.5
|
C16
|
A:8PF505
|
2.6
|
60.5
|
0.5
|
F20
|
A:8PF505
|
2.8
|
60.5
|
0.5
|
F21
|
A:8PF505
|
2.9
|
57.5
|
0.5
|
F15
|
A:8PF501
|
3.0
|
60.8
|
0.5
|
F20
|
A:8PF501
|
3.2
|
64.8
|
0.5
|
F18
|
A:8PF505
|
3.3
|
62.9
|
0.5
|
F14
|
A:8PF501
|
3.5
|
59.9
|
0.5
|
OG1
|
A:THR297
|
3.6
|
33.6
|
1.0
|
C22
|
A:8PF501
|
3.6
|
58.8
|
0.5
|
F24
|
A:8PF501
|
3.6
|
59.4
|
0.5
|
CG1
|
A:VAL293
|
3.7
|
34.8
|
1.0
|
C13
|
A:8PF505
|
3.9
|
56.6
|
0.5
|
F14
|
A:8PF505
|
4.1
|
62.1
|
0.5
|
C02
|
A:8PF501
|
4.1
|
58.5
|
0.5
|
F25
|
A:8PF501
|
4.2
|
57.2
|
0.5
|
F06
|
A:8PF501
|
4.5
|
58.8
|
0.5
|
F23
|
A:8PF501
|
4.6
|
66.1
|
0.5
|
CD1
|
A:LEU318
|
4.6
|
42.9
|
1.0
|
CB
|
A:LEU318
|
4.6
|
41.0
|
1.0
|
F15
|
A:8PF505
|
4.6
|
65.6
|
0.5
|
F01
|
A:8PF501
|
4.7
|
55.6
|
0.5
|
CB
|
A:THR297
|
4.8
|
35.4
|
1.0
|
F03
|
A:8PF501
|
4.8
|
63.0
|
0.5
|
F12
|
A:8PF505
|
4.9
|
61.1
|
0.5
|
CG2
|
A:THR297
|
4.9
|
38.6
|
1.0
|
C04
|
A:8PF501
|
4.9
|
55.8
|
0.5
|
|
Reference:
J.L.Pederick,
R.L.Frkic,
D.P.Mcdougal,
J.B.Bruning.
A Structural Basis For the Activation of Peroxisome Proliferator-Activated Receptor Gamma (Ppar Gamma ) By Perfluorooctanoic Acid (Pfoa). Chemosphere V. 354 41723 2024.
ISSN: ISSN 1879-1298
PubMed: 38494006
DOI: 10.1016/J.CHEMOSPHERE.2024.141723
Page generated: Sat Aug 3 00:47:53 2024
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