Fluorine in PDB 6gon: Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg
Protein crystallography data
The structure of Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg, PDB code: 6gon
was solved by
C.Grundstrom,
J.Zhang,
A.Olofsson,
P.L.Andersson,
A.E.Sauer-Eriksson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
43.81 /
1.65
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
72.408,
76.203,
107.103,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
15.9 /
19.3
|
Fluorine Binding Sites:
Fluorine binding site 1 out
of 60 in 6gon
Go back to
Fluorine Binding Sites List in 6gon
Fluorine binding site 1 out
of 60 in the Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg
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 Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F201
b:25.8
occ:0.48
|
F01
|
A:8PF201
|
0.0
|
25.8
|
0.5
|
C02
|
A:8PF201
|
1.3
|
22.5
|
0.5
|
F06
|
A:8PF201
|
1.3
|
30.7
|
0.5
|
C02
|
A:8PF201
|
1.6
|
20.9
|
0.5
|
F11
|
A:8PF201
|
1.6
|
18.8
|
0.5
|
C04
|
A:8PF201
|
1.6
|
25.6
|
0.5
|
F03
|
A:8PF201
|
1.8
|
23.8
|
0.5
|
C10
|
A:8PF201
|
1.9
|
23.9
|
0.5
|
F03
|
A:8PF201
|
2.2
|
25.3
|
0.5
|
C10
|
A:8PF201
|
2.3
|
20.1
|
0.5
|
C04
|
A:8PF201
|
2.3
|
23.1
|
0.5
|
F05
|
A:8PF201
|
2.4
|
26.9
|
0.5
|
F14
|
A:8PF201
|
2.5
|
14.9
|
0.5
|
F12
|
A:8PF201
|
2.6
|
20.5
|
0.5
|
C07
|
A:8PF201
|
2.7
|
27.7
|
0.5
|
F12
|
A:8PF201
|
2.7
|
19.1
|
0.5
|
F05
|
A:8PF201
|
2.9
|
21.2
|
0.5
|
F01
|
A:8PF201
|
2.9
|
23.9
|
0.5
|
C13
|
A:8PF201
|
2.9
|
14.7
|
0.5
|
O09
|
A:8PF201
|
3.0
|
22.8
|
0.5
|
C07
|
A:8PF201
|
3.0
|
28.7
|
0.5
|
C13
|
A:8PF201
|
3.1
|
17.3
|
0.5
|
F15
|
A:8PF201
|
3.3
|
20.1
|
0.5
|
O08
|
A:8PF201
|
3.4
|
28.4
|
0.5
|
F06
|
A:8PF201
|
3.5
|
30.1
|
0.5
|
F11
|
A:8PF201
|
3.5
|
19.9
|
0.5
|
O09
|
A:8PF201
|
3.5
|
24.8
|
0.5
|
F15
|
A:8PF201
|
3.7
|
20.0
|
0.5
|
CB
|
C:ALA108
|
3.7
|
13.3
|
1.0
|
F14
|
A:8PF201
|
3.8
|
15.4
|
0.5
|
O08
|
A:8PF201
|
4.0
|
28.3
|
0.5
|
C16
|
A:8PF201
|
4.1
|
22.4
|
0.5
|
CG
|
C:LYS15
|
4.1
|
13.5
|
1.0
|
F18
|
A:8PF201
|
4.1
|
16.6
|
0.5
|
F17
|
A:8PF201
|
4.1
|
24.7
|
0.5
|
C16
|
A:8PF201
|
4.2
|
19.2
|
0.5
|
CD1
|
A:LEU17
|
4.3
|
17.7
|
1.0
|
CB
|
C:LYS15
|
4.4
|
15.1
|
1.0
|
F17
|
A:8PF201
|
4.8
|
20.0
|
0.5
|
F18
|
A:8PF201
|
4.9
|
16.3
|
0.5
|
F24
|
A:8PF201
|
4.9
|
29.1
|
0.5
|
CA
|
C:ALA108
|
5.0
|
12.0
|
1.0
|
F21
|
A:8PF201
|
5.0
|
18.4
|
0.5
|
|
Fluorine binding site 2 out
of 60 in 6gon
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Fluorine Binding Sites List in 6gon
Fluorine binding site 2 out
of 60 in the Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg
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 Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F201
b:23.9
occ:0.49
|
F01
|
A:8PF201
|
0.0
|
23.9
|
0.5
|
C02
|
A:8PF201
|
1.3
|
20.9
|
0.5
|
F06
|
A:8PF201
|
1.4
|
30.1
|
0.5
|
F11
|
A:8PF201
|
1.4
|
19.9
|
0.5
|
C04
|
A:8PF201
|
1.5
|
23.1
|
0.5
|
C02
|
A:8PF201
|
1.6
|
22.5
|
0.5
|
C10
|
A:8PF201
|
1.8
|
20.1
|
0.5
|
F03
|
A:8PF201
|
2.1
|
25.3
|
0.5
|
F05
|
A:8PF201
|
2.1
|
21.2
|
0.5
|
F03
|
A:8PF201
|
2.2
|
23.8
|
0.5
|
F14
|
A:8PF201
|
2.3
|
15.4
|
0.5
|
C10
|
A:8PF201
|
2.3
|
23.9
|
0.5
|
C04
|
A:8PF201
|
2.3
|
25.6
|
0.5
|
F12
|
A:8PF201
|
2.6
|
20.5
|
0.5
|
C07
|
A:8PF201
|
2.7
|
28.7
|
0.5
|
F12
|
A:8PF201
|
2.7
|
19.1
|
0.5
|
C13
|
A:8PF201
|
2.8
|
17.3
|
0.5
|
F05
|
A:8PF201
|
2.9
|
26.9
|
0.5
|
F01
|
A:8PF201
|
2.9
|
25.8
|
0.5
|
O09
|
A:8PF201
|
2.9
|
24.8
|
0.5
|
C07
|
A:8PF201
|
3.0
|
27.7
|
0.5
|
C13
|
A:8PF201
|
3.0
|
14.7
|
0.5
|
F15
|
A:8PF201
|
3.2
|
20.0
|
0.5
|
F06
|
A:8PF201
|
3.5
|
30.7
|
0.5
|
F11
|
A:8PF201
|
3.5
|
18.8
|
0.5
|
O08
|
A:8PF201
|
3.5
|
28.3
|
0.5
|
F15
|
A:8PF201
|
3.5
|
20.1
|
0.5
|
O09
|
A:8PF201
|
3.7
|
22.8
|
0.5
|
F14
|
A:8PF201
|
3.8
|
14.9
|
0.5
|
CB
|
A:ALA108
|
3.9
|
13.9
|
1.0
|
O08
|
A:8PF201
|
3.9
|
28.4
|
0.5
|
F17
|
A:8PF201
|
3.9
|
20.0
|
0.5
|
C16
|
A:8PF201
|
4.0
|
19.2
|
0.5
|
C16
|
A:8PF201
|
4.1
|
22.4
|
0.5
|
F18
|
A:8PF201
|
4.1
|
16.3
|
0.5
|
CD1
|
C:LEU17
|
4.1
|
15.8
|
1.0
|
CG
|
A:LYS15
|
4.3
|
14.6
|
1.0
|
CB
|
A:LYS15
|
4.6
|
11.4
|
1.0
|
F18
|
A:8PF201
|
4.7
|
16.6
|
0.5
|
F17
|
A:8PF201
|
4.7
|
24.7
|
0.5
|
F24
|
A:8PF201
|
4.8
|
25.9
|
0.5
|
F21
|
A:8PF201
|
4.8
|
15.3
|
0.5
|
|
Fluorine binding site 3 out
of 60 in 6gon
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Fluorine Binding Sites List in 6gon
Fluorine binding site 3 out
of 60 in the Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg
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 Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F201
b:25.3
occ:0.48
|
F03
|
A:8PF201
|
0.0
|
25.3
|
0.5
|
F12
|
A:8PF201
|
1.1
|
19.1
|
0.5
|
C02
|
A:8PF201
|
1.3
|
22.5
|
0.5
|
C10
|
A:8PF201
|
1.5
|
23.9
|
0.5
|
F05
|
A:8PF201
|
1.5
|
26.9
|
0.5
|
C02
|
A:8PF201
|
1.6
|
20.9
|
0.5
|
C04
|
A:8PF201
|
1.9
|
25.6
|
0.5
|
F01
|
A:8PF201
|
2.1
|
23.9
|
0.5
|
F01
|
A:8PF201
|
2.2
|
25.8
|
0.5
|
C10
|
A:8PF201
|
2.3
|
20.1
|
0.5
|
C04
|
A:8PF201
|
2.3
|
23.1
|
0.5
|
F11
|
A:8PF201
|
2.3
|
18.8
|
0.5
|
F06
|
A:8PF201
|
2.6
|
30.1
|
0.5
|
F15
|
A:8PF201
|
2.6
|
20.0
|
0.5
|
C13
|
A:8PF201
|
2.7
|
14.7
|
0.5
|
F06
|
A:8PF201
|
2.8
|
30.7
|
0.5
|
C13
|
A:8PF201
|
2.8
|
17.3
|
0.5
|
F14
|
A:8PF201
|
2.8
|
14.9
|
0.5
|
F11
|
A:8PF201
|
2.8
|
19.9
|
0.5
|
O09
|
A:8PF201
|
2.9
|
22.8
|
0.5
|
F03
|
A:8PF201
|
2.9
|
23.8
|
0.5
|
C07
|
A:8PF201
|
3.0
|
27.7
|
0.5
|
C07
|
A:8PF201
|
3.1
|
28.7
|
0.5
|
F14
|
A:8PF201
|
3.1
|
15.4
|
0.5
|
CG
|
A:LYS15
|
3.4
|
14.6
|
1.0
|
F05
|
A:8PF201
|
3.5
|
21.2
|
0.5
|
F12
|
A:8PF201
|
3.5
|
20.5
|
0.5
|
C16
|
A:8PF201
|
3.5
|
19.2
|
0.5
|
F18
|
A:8PF201
|
3.6
|
16.3
|
0.5
|
O08
|
A:8PF201
|
3.6
|
28.3
|
0.5
|
F17
|
A:8PF201
|
3.7
|
24.7
|
0.5
|
CD1
|
A:LEU17
|
3.8
|
17.7
|
1.0
|
F15
|
A:8PF201
|
3.8
|
20.1
|
0.5
|
O09
|
A:8PF201
|
4.0
|
24.8
|
0.5
|
CG
|
A:LEU17
|
4.2
|
13.1
|
1.0
|
O08
|
A:8PF201
|
4.2
|
28.4
|
0.5
|
C16
|
A:8PF201
|
4.2
|
22.4
|
0.5
|
CB
|
A:LYS15
|
4.3
|
11.4
|
1.0
|
F24
|
A:8PF201
|
4.4
|
25.9
|
0.5
|
CE
|
A:LYS15
|
4.6
|
21.4
|
1.0
|
CD2
|
A:LEU17
|
4.6
|
15.4
|
1.0
|
CD
|
A:LYS15
|
4.6
|
18.0
|
1.0
|
CB
|
A:ALA108
|
4.6
|
13.9
|
1.0
|
F17
|
A:8PF201
|
4.6
|
20.0
|
0.5
|
F18
|
A:8PF201
|
4.8
|
16.6
|
0.5
|
F21
|
A:8PF201
|
4.9
|
18.4
|
0.5
|
C19
|
A:8PF201
|
5.0
|
27.0
|
0.5
|
|
Fluorine binding site 4 out
of 60 in 6gon
Go back to
Fluorine Binding Sites List in 6gon
Fluorine binding site 4 out
of 60 in the Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg
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 Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F201
b:23.8
occ:0.49
|
F03
|
A:8PF201
|
0.0
|
23.8
|
0.5
|
F12
|
A:8PF201
|
1.2
|
20.5
|
0.5
|
C02
|
A:8PF201
|
1.3
|
20.9
|
0.5
|
C10
|
A:8PF201
|
1.6
|
20.1
|
0.5
|
C02
|
A:8PF201
|
1.6
|
22.5
|
0.5
|
F05
|
A:8PF201
|
1.7
|
21.2
|
0.5
|
F01
|
A:8PF201
|
1.8
|
25.8
|
0.5
|
C04
|
A:8PF201
|
2.0
|
23.1
|
0.5
|
F01
|
A:8PF201
|
2.2
|
23.9
|
0.5
|
C04
|
A:8PF201
|
2.3
|
25.6
|
0.5
|
C10
|
A:8PF201
|
2.3
|
23.9
|
0.5
|
F11
|
A:8PF201
|
2.5
|
19.9
|
0.5
|
F06
|
A:8PF201
|
2.6
|
30.7
|
0.5
|
F15
|
A:8PF201
|
2.7
|
20.1
|
0.5
|
F11
|
A:8PF201
|
2.7
|
18.8
|
0.5
|
C13
|
A:8PF201
|
2.8
|
17.3
|
0.5
|
O09
|
A:8PF201
|
2.9
|
24.8
|
0.5
|
C13
|
A:8PF201
|
2.9
|
14.7
|
0.5
|
F03
|
A:8PF201
|
2.9
|
25.3
|
0.5
|
C07
|
A:8PF201
|
3.0
|
28.7
|
0.5
|
F06
|
A:8PF201
|
3.0
|
30.1
|
0.5
|
F14
|
A:8PF201
|
3.0
|
15.4
|
0.5
|
C07
|
A:8PF201
|
3.1
|
27.7
|
0.5
|
F14
|
A:8PF201
|
3.1
|
14.9
|
0.5
|
CG
|
C:LYS15
|
3.3
|
13.5
|
1.0
|
F05
|
A:8PF201
|
3.5
|
26.9
|
0.5
|
F12
|
A:8PF201
|
3.5
|
19.1
|
0.5
|
O08
|
A:8PF201
|
3.6
|
28.4
|
0.5
|
F18
|
A:8PF201
|
3.6
|
16.6
|
0.5
|
C16
|
A:8PF201
|
3.7
|
22.4
|
0.5
|
F15
|
A:8PF201
|
3.8
|
20.0
|
0.5
|
F17
|
A:8PF201
|
3.9
|
20.0
|
0.5
|
CD1
|
C:LEU17
|
3.9
|
15.8
|
1.0
|
O09
|
A:8PF201
|
3.9
|
22.8
|
0.5
|
CB
|
C:LYS15
|
4.1
|
15.1
|
1.0
|
O08
|
A:8PF201
|
4.2
|
28.3
|
0.5
|
C16
|
A:8PF201
|
4.3
|
19.2
|
0.5
|
CG
|
C:LEU17
|
4.3
|
11.3
|
1.0
|
CB
|
C:ALA108
|
4.3
|
13.3
|
1.0
|
F24
|
A:8PF201
|
4.5
|
29.1
|
0.5
|
CD
|
C:LYS15
|
4.5
|
18.3
|
1.0
|
CE
|
C:LYS15
|
4.6
|
25.6
|
1.0
|
F17
|
A:8PF201
|
4.7
|
24.7
|
0.5
|
CD2
|
C:LEU17
|
4.8
|
15.8
|
1.0
|
O
|
C:LYS15
|
4.9
|
13.2
|
1.0
|
F18
|
A:8PF201
|
4.9
|
16.3
|
0.5
|
|
Fluorine binding site 5 out
of 60 in 6gon
Go back to
Fluorine Binding Sites List in 6gon
Fluorine binding site 5 out
of 60 in the Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg
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 Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F201
b:21.2
occ:0.48
|
F05
|
A:8PF201
|
0.0
|
21.2
|
0.5
|
O09
|
A:8PF201
|
1.3
|
24.8
|
0.5
|
C04
|
A:8PF201
|
1.3
|
23.1
|
0.5
|
F03
|
A:8PF201
|
1.7
|
23.8
|
0.5
|
C07
|
A:8PF201
|
1.9
|
28.7
|
0.5
|
C02
|
A:8PF201
|
2.0
|
20.9
|
0.5
|
F01
|
A:8PF201
|
2.1
|
23.9
|
0.5
|
F06
|
A:8PF201
|
2.2
|
30.1
|
0.5
|
C04
|
A:8PF201
|
2.3
|
25.6
|
0.5
|
C02
|
A:8PF201
|
2.3
|
22.5
|
0.5
|
C07
|
A:8PF201
|
2.4
|
27.7
|
0.5
|
O08
|
A:8PF201
|
2.5
|
28.4
|
0.5
|
F12
|
A:8PF201
|
2.7
|
20.5
|
0.5
|
C10
|
A:8PF201
|
2.8
|
20.1
|
0.5
|
F01
|
A:8PF201
|
2.9
|
25.8
|
0.5
|
F06
|
A:8PF201
|
2.9
|
30.7
|
0.5
|
F11
|
A:8PF201
|
3.0
|
19.9
|
0.5
|
O08
|
A:8PF201
|
3.1
|
28.3
|
0.5
|
CG
|
C:LYS15
|
3.2
|
13.5
|
1.0
|
F03
|
A:8PF201
|
3.5
|
25.3
|
0.5
|
CE
|
C:LYS15
|
3.5
|
25.6
|
1.0
|
F05
|
A:8PF201
|
3.5
|
26.9
|
0.5
|
C10
|
A:8PF201
|
3.5
|
23.9
|
0.5
|
O09
|
A:8PF201
|
3.5
|
22.8
|
0.5
|
F14
|
A:8PF201
|
3.9
|
15.4
|
0.5
|
CD
|
C:LYS15
|
3.9
|
18.3
|
1.0
|
C13
|
A:8PF201
|
4.1
|
17.3
|
0.5
|
F11
|
A:8PF201
|
4.1
|
18.8
|
0.5
|
CD1
|
C:LEU17
|
4.2
|
15.8
|
1.0
|
F15
|
A:8PF201
|
4.2
|
20.1
|
0.5
|
C13
|
A:8PF201
|
4.3
|
14.7
|
0.5
|
F12
|
A:8PF201
|
4.3
|
19.1
|
0.5
|
CB
|
C:LYS15
|
4.4
|
15.1
|
1.0
|
CD2
|
C:LEU17
|
4.5
|
15.8
|
1.0
|
CG
|
C:LEU17
|
4.5
|
11.3
|
1.0
|
F14
|
A:8PF201
|
4.7
|
14.9
|
0.5
|
NZ
|
C:LYS15
|
4.9
|
21.4
|
1.0
|
F15
|
A:8PF201
|
4.9
|
20.0
|
0.5
|
|
Fluorine binding site 6 out
of 60 in 6gon
Go back to
Fluorine Binding Sites List in 6gon
Fluorine binding site 6 out
of 60 in the Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg
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 Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F201
b:26.9
occ:0.49
|
F05
|
A:8PF201
|
0.0
|
26.9
|
0.5
|
C04
|
A:8PF201
|
1.3
|
25.6
|
0.5
|
O09
|
A:8PF201
|
1.4
|
22.8
|
0.5
|
F03
|
A:8PF201
|
1.5
|
25.3
|
0.5
|
C07
|
A:8PF201
|
2.0
|
27.7
|
0.5
|
C02
|
A:8PF201
|
2.1
|
22.5
|
0.5
|
F06
|
A:8PF201
|
2.2
|
30.7
|
0.5
|
C04
|
A:8PF201
|
2.2
|
23.1
|
0.5
|
C02
|
A:8PF201
|
2.3
|
20.9
|
0.5
|
C07
|
A:8PF201
|
2.4
|
28.7
|
0.5
|
F01
|
A:8PF201
|
2.4
|
25.8
|
0.5
|
F12
|
A:8PF201
|
2.5
|
19.1
|
0.5
|
O08
|
A:8PF201
|
2.5
|
28.3
|
0.5
|
F06
|
A:8PF201
|
2.6
|
30.1
|
0.5
|
C10
|
A:8PF201
|
2.8
|
23.9
|
0.5
|
F01
|
A:8PF201
|
2.9
|
23.9
|
0.5
|
CG
|
A:LYS15
|
2.9
|
14.6
|
1.0
|
F11
|
A:8PF201
|
3.2
|
18.8
|
0.5
|
O08
|
A:8PF201
|
3.2
|
28.4
|
0.5
|
CE
|
A:LYS15
|
3.4
|
21.4
|
1.0
|
F03
|
A:8PF201
|
3.5
|
23.8
|
0.5
|
C10
|
A:8PF201
|
3.5
|
20.1
|
0.5
|
F05
|
A:8PF201
|
3.5
|
21.2
|
0.5
|
O09
|
A:8PF201
|
3.5
|
24.8
|
0.5
|
CD
|
A:LYS15
|
3.7
|
18.0
|
1.0
|
F14
|
A:8PF201
|
4.0
|
14.9
|
0.5
|
F11
|
A:8PF201
|
4.0
|
19.9
|
0.5
|
C13
|
A:8PF201
|
4.1
|
14.7
|
0.5
|
CB
|
A:LYS15
|
4.1
|
11.4
|
1.0
|
F15
|
A:8PF201
|
4.1
|
20.0
|
0.5
|
C13
|
A:8PF201
|
4.2
|
17.3
|
0.5
|
CD1
|
A:LEU17
|
4.3
|
17.7
|
1.0
|
F12
|
A:8PF201
|
4.4
|
20.5
|
0.5
|
CD2
|
A:LEU17
|
4.4
|
15.4
|
1.0
|
CG
|
A:LEU17
|
4.5
|
13.1
|
1.0
|
F14
|
A:8PF201
|
4.5
|
15.4
|
0.5
|
NZ
|
A:LYS15
|
4.8
|
21.4
|
1.0
|
O
|
A:HOH430
|
5.0
|
38.9
|
0.5
|
|
Fluorine binding site 7 out
of 60 in 6gon
Go back to
Fluorine Binding Sites List in 6gon
Fluorine binding site 7 out
of 60 in the Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg
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 Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F201
b:30.1
occ:0.48
|
F06
|
A:8PF201
|
0.0
|
30.1
|
0.5
|
C04
|
A:8PF201
|
1.3
|
23.1
|
0.5
|
F01
|
A:8PF201
|
1.4
|
23.9
|
0.5
|
C07
|
A:8PF201
|
1.8
|
28.7
|
0.5
|
F05
|
A:8PF201
|
2.2
|
21.2
|
0.5
|
C02
|
A:8PF201
|
2.2
|
20.9
|
0.5
|
C04
|
A:8PF201
|
2.2
|
25.6
|
0.5
|
O09
|
A:8PF201
|
2.3
|
24.8
|
0.5
|
C02
|
A:8PF201
|
2.3
|
22.5
|
0.5
|
O08
|
A:8PF201
|
2.3
|
28.3
|
0.5
|
C07
|
A:8PF201
|
2.4
|
27.7
|
0.5
|
F03
|
A:8PF201
|
2.6
|
25.3
|
0.5
|
F05
|
A:8PF201
|
2.6
|
26.9
|
0.5
|
F11
|
A:8PF201
|
2.7
|
19.9
|
0.5
|
F03
|
A:8PF201
|
3.0
|
23.8
|
0.5
|
O09
|
A:8PF201
|
3.0
|
22.8
|
0.5
|
C10
|
A:8PF201
|
3.1
|
20.1
|
0.5
|
O08
|
A:8PF201
|
3.2
|
28.4
|
0.5
|
C10
|
A:8PF201
|
3.4
|
23.9
|
0.5
|
F01
|
A:8PF201
|
3.5
|
25.8
|
0.5
|
F12
|
A:8PF201
|
3.5
|
19.1
|
0.5
|
F06
|
A:8PF201
|
3.5
|
30.7
|
0.5
|
F14
|
A:8PF201
|
3.6
|
15.4
|
0.5
|
CG
|
A:LYS15
|
3.7
|
14.6
|
1.0
|
F12
|
A:8PF201
|
3.8
|
20.5
|
0.5
|
CB
|
A:LYS15
|
3.9
|
11.4
|
1.0
|
C13
|
A:8PF201
|
4.1
|
17.3
|
0.5
|
C13
|
A:8PF201
|
4.3
|
14.7
|
0.5
|
F15
|
A:8PF201
|
4.4
|
20.0
|
0.5
|
F11
|
A:8PF201
|
4.4
|
18.8
|
0.5
|
O
|
A:HOH430
|
4.4
|
32.6
|
0.5
|
CB
|
A:ALA108
|
4.5
|
13.9
|
1.0
|
CD
|
A:LYS15
|
4.7
|
18.0
|
1.0
|
F15
|
A:8PF201
|
4.8
|
20.1
|
0.5
|
CG2
|
A:THR106
|
4.9
|
18.7
|
1.0
|
F14
|
A:8PF201
|
4.9
|
14.9
|
0.5
|
O
|
A:HOH430
|
4.9
|
38.9
|
0.5
|
|
Fluorine binding site 8 out
of 60 in 6gon
Go back to
Fluorine Binding Sites List in 6gon
Fluorine binding site 8 out
of 60 in the Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg
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 Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F201
b:30.7
occ:0.49
|
F06
|
A:8PF201
|
0.0
|
30.7
|
0.5
|
C04
|
A:8PF201
|
1.3
|
25.6
|
0.5
|
F01
|
A:8PF201
|
1.3
|
25.8
|
0.5
|
C07
|
A:8PF201
|
1.8
|
27.7
|
0.5
|
O09
|
A:8PF201
|
2.0
|
22.8
|
0.5
|
C02
|
A:8PF201
|
2.1
|
22.5
|
0.5
|
F05
|
A:8PF201
|
2.2
|
26.9
|
0.5
|
C04
|
A:8PF201
|
2.3
|
23.1
|
0.5
|
C02
|
A:8PF201
|
2.3
|
20.9
|
0.5
|
C07
|
A:8PF201
|
2.4
|
28.7
|
0.5
|
O08
|
A:8PF201
|
2.4
|
28.4
|
0.5
|
F03
|
A:8PF201
|
2.6
|
23.8
|
0.5
|
F03
|
A:8PF201
|
2.8
|
25.3
|
0.5
|
F11
|
A:8PF201
|
2.8
|
18.8
|
0.5
|
F05
|
A:8PF201
|
2.9
|
21.2
|
0.5
|
O09
|
A:8PF201
|
3.1
|
24.8
|
0.5
|
C10
|
A:8PF201
|
3.1
|
23.9
|
0.5
|
O08
|
A:8PF201
|
3.1
|
28.3
|
0.5
|
C10
|
A:8PF201
|
3.4
|
20.1
|
0.5
|
F01
|
A:8PF201
|
3.5
|
23.9
|
0.5
|
F06
|
A:8PF201
|
3.5
|
30.1
|
0.5
|
F12
|
A:8PF201
|
3.6
|
19.1
|
0.5
|
F12
|
A:8PF201
|
3.7
|
20.5
|
0.5
|
F14
|
A:8PF201
|
3.7
|
14.9
|
0.5
|
CG
|
C:LYS15
|
4.0
|
13.5
|
1.0
|
CB
|
C:LYS15
|
4.2
|
15.1
|
1.0
|
C13
|
A:8PF201
|
4.2
|
14.7
|
0.5
|
O
|
A:HOH410
|
4.3
|
48.6
|
1.0
|
C13
|
A:8PF201
|
4.4
|
17.3
|
0.5
|
F11
|
A:8PF201
|
4.4
|
19.9
|
0.5
|
CB
|
C:ALA108
|
4.6
|
13.3
|
1.0
|
F15
|
A:8PF201
|
4.6
|
20.1
|
0.5
|
F15
|
A:8PF201
|
4.9
|
20.0
|
0.5
|
CG2
|
C:THR106
|
4.9
|
18.8
|
1.0
|
CD1
|
A:LEU17
|
4.9
|
17.7
|
1.0
|
F14
|
A:8PF201
|
4.9
|
15.4
|
0.5
|
CE
|
A:LYS15
|
5.0
|
21.4
|
1.0
|
|
Fluorine binding site 9 out
of 60 in 6gon
Go back to
Fluorine Binding Sites List in 6gon
Fluorine binding site 9 out
of 60 in the Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg
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 Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F201
b:19.9
occ:0.48
|
F11
|
A:8PF201
|
0.0
|
19.9
|
0.5
|
F14
|
A:8PF201
|
1.0
|
15.4
|
0.5
|
C10
|
A:8PF201
|
1.3
|
20.1
|
0.5
|
F01
|
A:8PF201
|
1.4
|
23.9
|
0.5
|
C13
|
A:8PF201
|
1.9
|
17.3
|
0.5
|
C02
|
A:8PF201
|
2.1
|
20.9
|
0.5
|
F12
|
A:8PF201
|
2.2
|
20.5
|
0.5
|
C10
|
A:8PF201
|
2.3
|
23.9
|
0.5
|
C02
|
A:8PF201
|
2.3
|
22.5
|
0.5
|
C13
|
A:8PF201
|
2.3
|
14.7
|
0.5
|
F03
|
A:8PF201
|
2.5
|
23.8
|
0.5
|
F15
|
A:8PF201
|
2.6
|
20.0
|
0.5
|
F17
|
A:8PF201
|
2.6
|
20.0
|
0.5
|
F15
|
A:8PF201
|
2.6
|
20.1
|
0.5
|
F06
|
A:8PF201
|
2.7
|
30.1
|
0.5
|
C04
|
A:8PF201
|
2.8
|
23.1
|
0.5
|
F03
|
A:8PF201
|
2.8
|
25.3
|
0.5
|
F12
|
A:8PF201
|
2.9
|
19.1
|
0.5
|
F05
|
A:8PF201
|
3.0
|
21.2
|
0.5
|
C16
|
A:8PF201
|
3.0
|
22.4
|
0.5
|
C16
|
A:8PF201
|
3.1
|
19.2
|
0.5
|
CD1
|
C:LEU17
|
3.2
|
15.8
|
1.0
|
CB
|
A:ALA108
|
3.3
|
13.9
|
1.0
|
F18
|
A:8PF201
|
3.3
|
16.3
|
0.5
|
F21
|
A:8PF201
|
3.5
|
15.3
|
0.5
|
C04
|
A:8PF201
|
3.5
|
25.6
|
0.5
|
F01
|
A:8PF201
|
3.5
|
25.8
|
0.5
|
F14
|
A:8PF201
|
3.5
|
14.9
|
0.5
|
F11
|
A:8PF201
|
3.5
|
18.8
|
0.5
|
F18
|
A:8PF201
|
3.8
|
16.6
|
0.5
|
F24
|
A:8PF201
|
3.9
|
25.9
|
0.5
|
C19
|
A:8PF201
|
3.9
|
27.0
|
0.5
|
F05
|
A:8PF201
|
4.0
|
26.9
|
0.5
|
C07
|
A:8PF201
|
4.0
|
28.7
|
0.5
|
O09
|
A:8PF201
|
4.1
|
24.8
|
0.5
|
F17
|
A:8PF201
|
4.1
|
24.7
|
0.5
|
C19
|
A:8PF201
|
4.2
|
24.8
|
0.5
|
F24
|
A:8PF201
|
4.3
|
29.1
|
0.5
|
C07
|
A:8PF201
|
4.3
|
27.7
|
0.5
|
CG
|
C:LEU17
|
4.4
|
11.3
|
1.0
|
F25
|
A:8PF201
|
4.4
|
27.1
|
0.5
|
C22
|
A:8PF201
|
4.4
|
28.3
|
0.5
|
F06
|
A:8PF201
|
4.4
|
30.7
|
0.5
|
CA
|
A:ALA108
|
4.8
|
10.8
|
1.0
|
CG2
|
A:THR119
|
4.8
|
7.9
|
0.6
|
C22
|
A:8PF201
|
4.8
|
27.9
|
0.5
|
F21
|
A:8PF201
|
4.8
|
18.4
|
0.5
|
O08
|
A:8PF201
|
4.9
|
28.3
|
0.5
|
F20
|
A:8PF201
|
5.0
|
34.0
|
0.5
|
O09
|
A:8PF201
|
5.0
|
22.8
|
0.5
|
|
Fluorine binding site 10 out
of 60 in 6gon
Go back to
Fluorine Binding Sites List in 6gon
Fluorine binding site 10 out
of 60 in the Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg
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 Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in Peg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F201
b:18.8
occ:0.49
|
F11
|
A:8PF201
|
0.0
|
18.8
|
0.5
|
F14
|
A:8PF201
|
1.0
|
14.9
|
0.5
|
C10
|
A:8PF201
|
1.3
|
23.9
|
0.5
|
F01
|
A:8PF201
|
1.6
|
25.8
|
0.5
|
C13
|
A:8PF201
|
1.9
|
14.7
|
0.5
|
C02
|
A:8PF201
|
2.1
|
22.5
|
0.5
|
F12
|
A:8PF201
|
2.2
|
19.1
|
0.5
|
C10
|
A:8PF201
|
2.3
|
20.1
|
0.5
|
F03
|
A:8PF201
|
2.3
|
25.3
|
0.5
|
C02
|
A:8PF201
|
2.3
|
20.9
|
0.5
|
C13
|
A:8PF201
|
2.3
|
17.3
|
0.5
|
F15
|
A:8PF201
|
2.6
|
20.1
|
0.5
|
F17
|
A:8PF201
|
2.6
|
24.7
|
0.5
|
F15
|
A:8PF201
|
2.7
|
20.0
|
0.5
|
F03
|
A:8PF201
|
2.7
|
23.8
|
0.5
|
F06
|
A:8PF201
|
2.8
|
30.7
|
0.5
|
F12
|
A:8PF201
|
2.8
|
20.5
|
0.5
|
C04
|
A:8PF201
|
2.9
|
25.6
|
0.5
|
C16
|
A:8PF201
|
3.0
|
19.2
|
0.5
|
C16
|
A:8PF201
|
3.1
|
22.4
|
0.5
|
CB
|
C:ALA108
|
3.1
|
13.3
|
1.0
|
F05
|
A:8PF201
|
3.2
|
26.9
|
0.5
|
F18
|
A:8PF201
|
3.2
|
16.6
|
0.5
|
CD1
|
A:LEU17
|
3.3
|
17.7
|
1.0
|
F21
|
A:8PF201
|
3.5
|
18.4
|
0.5
|
F14
|
A:8PF201
|
3.5
|
15.4
|
0.5
|
F01
|
A:8PF201
|
3.5
|
23.9
|
0.5
|
F11
|
A:8PF201
|
3.5
|
19.9
|
0.5
|
C04
|
A:8PF201
|
3.5
|
23.1
|
0.5
|
F18
|
A:8PF201
|
3.8
|
16.3
|
0.5
|
C19
|
A:8PF201
|
3.9
|
24.8
|
0.5
|
F24
|
A:8PF201
|
3.9
|
29.1
|
0.5
|
F17
|
A:8PF201
|
4.1
|
20.0
|
0.5
|
C07
|
A:8PF201
|
4.1
|
27.7
|
0.5
|
F05
|
A:8PF201
|
4.1
|
21.2
|
0.5
|
O09
|
A:8PF201
|
4.2
|
22.8
|
0.5
|
C19
|
A:8PF201
|
4.2
|
27.0
|
0.5
|
F24
|
A:8PF201
|
4.4
|
25.9
|
0.5
|
F25
|
A:8PF201
|
4.4
|
26.5
|
0.5
|
F06
|
A:8PF201
|
4.4
|
30.1
|
0.5
|
C22
|
A:8PF201
|
4.4
|
27.9
|
0.5
|
C07
|
A:8PF201
|
4.4
|
28.7
|
0.5
|
CG
|
A:LEU17
|
4.4
|
13.1
|
1.0
|
CA
|
C:ALA108
|
4.6
|
12.0
|
1.0
|
CG2
|
C:THR119
|
4.6
|
11.1
|
0.6
|
C22
|
A:8PF201
|
4.8
|
28.3
|
0.5
|
F21
|
A:8PF201
|
4.8
|
15.3
|
0.5
|
F20
|
A:8PF201
|
4.9
|
33.2
|
0.5
|
O09
|
A:8PF201
|
5.0
|
24.8
|
0.5
|
|
Reference:
J.Zhang,
C.Grundstrom,
K.Brannstrom,
I.Iakovleva,
M.Lindberg,
A.Olofsson,
P.L.Andersson,
A.E.Sauer-Eriksson.
Interspecies Variation Between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. Environ. Sci. Technol. V. 52 11865 2018.
ISSN: ISSN 1520-5851
PubMed: 30226982
DOI: 10.1021/ACS.EST.8B03581
Page generated: Thu Aug 1 20:34:08 2024
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