Fluorine in PDB 6xnf: GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16)
Protein crystallography data
The structure of GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16), PDB code: 6xnf
was solved by
R.K.Rowe Hartje,
R.S.Czarny,
A.Ho,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
46.21 /
2.00
|
|
Space group
|
C 1 2 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
59.65,
35.19,
47.02,
90,
100.65,
90
|
|
R / Rfree (%)
|
19.7 /
25.4
|
Other elements in 6xnf:
The structure of GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16) also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16)
(pdb code 6xnf). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the
GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16), PDB code: 6xnf:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Fluorine binding site 1 out
of 8 in 6xnf
Go back to
Fluorine Binding Sites List in 6xnf
Fluorine binding site 1 out
of 8 in the GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F16
b:68.9
occ:0.27
|
F06
|
A:V6116
|
0.0
|
68.9
|
0.3
|
|
C05
|
A:V6116
|
1.3
|
64.2
|
0.3
|
|
C05
|
A:V6116
|
2.2
|
64.4
|
0.7
|
|
F06
|
A:V6116
|
2.2
|
66.7
|
0.7
|
|
C04
|
A:V6116
|
2.3
|
59.3
|
0.3
|
|
C04
|
A:V6116
|
2.3
|
59.4
|
0.7
|
|
C07
|
A:V6116
|
2.4
|
65.8
|
0.3
|
|
C03
|
A:V6116
|
2.5
|
48.7
|
0.7
|
|
CB
|
C:LYS15
|
2.5
|
27.3
|
0.5
|
|
F08
|
A:V6116
|
2.7
|
64.7
|
0.3
|
|
CB
|
C:LYS15
|
2.7
|
27.8
|
0.5
|
|
C03
|
A:V6116
|
2.7
|
47.8
|
0.3
|
|
C07
|
A:V6116
|
3.2
|
66.2
|
0.7
|
|
CD
|
C:LYS15
|
3.2
|
32.7
|
0.5
|
|
C13
|
A:V6116
|
3.3
|
59.9
|
0.7
|
|
CG
|
C:LYS15
|
3.4
|
33.2
|
0.5
|
|
C13
|
A:V6116
|
3.6
|
59.0
|
0.3
|
|
C09
|
A:V6116
|
3.6
|
67.8
|
0.3
|
|
N
|
C:ALA16
|
3.7
|
27.6
|
1.0
|
|
CD
|
C:LYS15
|
3.7
|
35.0
|
0.5
|
|
CA
|
C:LYS15
|
3.7
|
25.1
|
0.5
|
|
C
|
C:LYS15
|
3.7
|
25.2
|
1.0
|
|
O
|
C:LEU12
|
3.8
|
33.0
|
1.0
|
|
CG
|
C:LYS15
|
3.8
|
33.4
|
0.5
|
|
CA
|
C:LYS15
|
3.8
|
25.2
|
0.5
|
|
CA
|
A:V6116
|
3.9
|
38.3
|
0.3
|
|
F08
|
A:V6116
|
3.9
|
65.7
|
0.7
|
|
CA
|
A:V6116
|
3.9
|
38.5
|
0.7
|
|
C09
|
A:V6116
|
3.9
|
69.5
|
0.7
|
|
C11
|
A:V6116
|
4.0
|
67.4
|
0.7
|
|
C11
|
A:V6116
|
4.1
|
64.7
|
0.3
|
|
CD1
|
C:LEU19
|
4.2
|
45.7
|
1.0
|
|
F14
|
A:V6116
|
4.2
|
54.3
|
0.7
|
|
O
|
C:LYS15
|
4.3
|
31.8
|
1.0
|
|
CA
|
C:LEU12
|
4.4
|
29.5
|
1.0
|
|
CA
|
C:ALA16
|
4.5
|
21.1
|
1.0
|
|
C
|
C:LEU12
|
4.5
|
32.2
|
1.0
|
|
CD2
|
C:LEU12
|
4.5
|
47.5
|
1.0
|
|
N
|
C:LYS15
|
4.6
|
29.5
|
1.0
|
|
OE1
|
A:GLU20
|
4.6
|
48.2
|
1.0
|
|
CE
|
C:LYS15
|
4.6
|
32.8
|
0.5
|
|
F14
|
A:V6116
|
4.7
|
47.1
|
0.3
|
|
C
|
A:V6116
|
4.7
|
24.9
|
1.0
|
|
CE
|
C:LYS15
|
4.8
|
33.1
|
0.5
|
|
CB
|
C:LEU12
|
4.9
|
34.8
|
1.0
|
|
N
|
A:V6116
|
4.9
|
30.8
|
1.0
|
|
O
|
A:V6116
|
4.9
|
26.3
|
1.0
|
|
Fluorine binding site 2 out
of 8 in 6xnf
Go back to
Fluorine Binding Sites List in 6xnf
Fluorine binding site 2 out
of 8 in the GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F16
b:66.7
occ:0.73
|
F06
|
A:V6116
|
0.0
|
66.7
|
0.7
|
|
C05
|
A:V6116
|
1.4
|
64.4
|
0.7
|
|
C05
|
A:V6116
|
1.6
|
64.2
|
0.3
|
|
C04
|
A:V6116
|
1.8
|
59.3
|
0.3
|
|
F06
|
A:V6116
|
2.2
|
68.9
|
0.3
|
|
C07
|
A:V6116
|
2.3
|
65.8
|
0.3
|
|
C04
|
A:V6116
|
2.3
|
59.4
|
0.7
|
|
C07
|
A:V6116
|
2.4
|
66.2
|
0.7
|
|
C13
|
A:V6116
|
2.5
|
59.0
|
0.3
|
|
C03
|
A:V6116
|
2.6
|
47.8
|
0.3
|
|
C03
|
A:V6116
|
2.7
|
48.7
|
0.7
|
|
F08
|
A:V6116
|
2.8
|
65.7
|
0.7
|
|
CD2
|
C:LEU12
|
2.9
|
47.5
|
1.0
|
|
C09
|
A:V6116
|
3.0
|
67.8
|
0.3
|
|
C11
|
A:V6116
|
3.0
|
64.7
|
0.3
|
|
F08
|
A:V6116
|
3.2
|
64.7
|
0.3
|
|
O
|
A:LEU12
|
3.5
|
28.1
|
1.0
|
|
F14
|
A:V6116
|
3.5
|
47.1
|
0.3
|
|
C13
|
A:V6116
|
3.6
|
59.9
|
0.7
|
|
C09
|
A:V6116
|
3.6
|
69.5
|
0.7
|
|
CB
|
C:LEU12
|
3.7
|
34.8
|
1.0
|
|
CG
|
C:LEU12
|
3.8
|
43.5
|
1.0
|
|
CA
|
C:LEU12
|
3.9
|
29.5
|
1.0
|
|
CA
|
A:V6116
|
4.0
|
38.3
|
0.3
|
|
C
|
A:LEU12
|
4.0
|
32.5
|
1.0
|
|
CA
|
A:V6116
|
4.1
|
38.5
|
0.7
|
|
C11
|
A:V6116
|
4.1
|
67.4
|
0.7
|
|
O
|
C:LEU12
|
4.1
|
33.0
|
1.0
|
|
F12
|
A:V6116
|
4.2
|
64.9
|
0.3
|
|
CD
|
C:LYS15
|
4.2
|
32.7
|
0.5
|
|
CB
|
C:LYS15
|
4.3
|
27.3
|
0.5
|
|
N
|
A:V6116
|
4.4
|
30.8
|
1.0
|
|
C
|
C:LEU12
|
4.5
|
32.2
|
1.0
|
|
CD1
|
C:LEU12
|
4.5
|
46.2
|
1.0
|
|
CB
|
A:LEU12
|
4.5
|
32.5
|
1.0
|
|
CA
|
A:LEU13
|
4.5
|
31.0
|
1.0
|
|
N
|
A:LEU13
|
4.5
|
28.6
|
1.0
|
|
CB
|
C:LYS15
|
4.6
|
27.8
|
0.5
|
|
CD
|
C:LYS15
|
4.6
|
35.0
|
0.5
|
|
F14
|
A:V6116
|
4.8
|
54.3
|
0.7
|
|
CA
|
A:LEU12
|
4.8
|
34.3
|
1.0
|
|
I10
|
A:V6116
|
4.8
|
79.8
|
0.3
|
|
O
|
A:HOH210
|
4.9
|
27.4
|
1.0
|
|
CG
|
C:LYS15
|
4.9
|
33.2
|
0.5
|
|
Fluorine binding site 3 out
of 8 in 6xnf
Go back to
Fluorine Binding Sites List in 6xnf
Fluorine binding site 3 out
of 8 in the GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F16
b:64.7
occ:0.27
|
F08
|
A:V6116
|
0.0
|
64.7
|
0.3
|
|
C07
|
A:V6116
|
1.3
|
65.8
|
0.3
|
|
C07
|
A:V6116
|
2.1
|
66.2
|
0.7
|
|
C05
|
A:V6116
|
2.3
|
64.2
|
0.3
|
|
C09
|
A:V6116
|
2.4
|
67.8
|
0.3
|
|
F08
|
A:V6116
|
2.4
|
65.7
|
0.7
|
|
O
|
C:LEU12
|
2.5
|
33.0
|
1.0
|
|
C09
|
A:V6116
|
2.6
|
69.5
|
0.7
|
|
C05
|
A:V6116
|
2.6
|
64.4
|
0.7
|
|
F06
|
A:V6116
|
2.7
|
68.9
|
0.3
|
|
N
|
C:ALA16
|
2.7
|
27.6
|
1.0
|
|
CB
|
C:ALA16
|
2.8
|
31.1
|
1.0
|
|
CA
|
C:ALA16
|
2.9
|
21.1
|
1.0
|
|
F06
|
A:V6116
|
3.2
|
66.7
|
0.7
|
|
I10
|
A:V6116
|
3.3
|
79.8
|
0.3
|
|
C11
|
A:V6116
|
3.4
|
67.4
|
0.7
|
|
C04
|
A:V6116
|
3.4
|
59.4
|
0.7
|
|
C
|
C:LEU12
|
3.6
|
32.2
|
1.0
|
|
C04
|
A:V6116
|
3.6
|
59.3
|
0.3
|
|
C11
|
A:V6116
|
3.6
|
64.7
|
0.3
|
|
I10
|
A:V6116
|
3.7
|
74.5
|
0.3
|
|
C13
|
A:V6116
|
3.7
|
59.9
|
0.7
|
|
C
|
C:LYS15
|
3.7
|
25.2
|
1.0
|
|
CB
|
C:LYS15
|
4.0
|
27.3
|
0.5
|
|
C13
|
A:V6116
|
4.0
|
59.0
|
0.3
|
|
CA
|
C:LEU12
|
4.2
|
29.5
|
1.0
|
|
CB
|
C:LYS15
|
4.2
|
27.8
|
0.5
|
|
CA
|
C:LYS15
|
4.4
|
25.1
|
0.5
|
|
F12
|
A:V6116
|
4.4
|
69.3
|
0.7
|
|
CB
|
C:LEU12
|
4.4
|
34.8
|
1.0
|
|
CA
|
C:LYS15
|
4.4
|
25.2
|
0.5
|
|
C
|
C:ALA16
|
4.4
|
29.7
|
1.0
|
|
O
|
C:LYS15
|
4.5
|
31.8
|
1.0
|
|
C03
|
A:V6116
|
4.5
|
48.7
|
0.7
|
|
N
|
C:LEU13
|
4.6
|
20.7
|
1.0
|
|
F12
|
A:V6116
|
4.7
|
64.9
|
0.3
|
|
N
|
C:LYS15
|
4.7
|
29.5
|
1.0
|
|
C03
|
A:V6116
|
4.8
|
47.8
|
0.3
|
|
CA
|
C:LEU13
|
4.9
|
22.5
|
1.0
|
|
F14
|
A:V6116
|
4.9
|
54.3
|
0.7
|
|
O
|
C:LEU13
|
5.0
|
27.5
|
1.0
|
|
Fluorine binding site 4 out
of 8 in 6xnf
Go back to
Fluorine Binding Sites List in 6xnf
Fluorine binding site 4 out
of 8 in the GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F16
b:65.7
occ:0.73
|
F08
|
A:V6116
|
0.0
|
65.7
|
0.7
|
|
C07
|
A:V6116
|
1.4
|
66.2
|
0.7
|
|
C09
|
A:V6116
|
1.7
|
67.8
|
0.3
|
|
C07
|
A:V6116
|
1.9
|
65.8
|
0.3
|
|
C05
|
A:V6116
|
2.4
|
64.4
|
0.7
|
|
F08
|
A:V6116
|
2.4
|
64.7
|
0.3
|
|
C09
|
A:V6116
|
2.4
|
69.5
|
0.7
|
|
I10
|
A:V6116
|
2.4
|
79.8
|
0.3
|
|
C11
|
A:V6116
|
2.5
|
64.7
|
0.3
|
|
F06
|
A:V6116
|
2.8
|
66.7
|
0.7
|
|
C05
|
A:V6116
|
2.9
|
64.2
|
0.3
|
|
I10
|
A:V6116
|
3.2
|
74.5
|
0.3
|
|
C13
|
A:V6116
|
3.3
|
59.0
|
0.3
|
|
F12
|
A:V6116
|
3.3
|
64.9
|
0.3
|
|
CB
|
C:LEU12
|
3.5
|
34.8
|
1.0
|
|
C04
|
A:V6116
|
3.5
|
59.3
|
0.3
|
|
O
|
C:LEU12
|
3.5
|
33.0
|
1.0
|
|
C11
|
A:V6116
|
3.6
|
67.4
|
0.7
|
|
C04
|
A:V6116
|
3.6
|
59.4
|
0.7
|
|
F06
|
A:V6116
|
3.9
|
68.9
|
0.3
|
|
CD1
|
B:LEU12
|
3.9
|
33.8
|
1.0
|
|
C
|
C:LEU12
|
4.0
|
32.2
|
1.0
|
|
CA
|
C:LEU12
|
4.1
|
29.5
|
1.0
|
|
CD2
|
B:LEU12
|
4.1
|
49.9
|
1.0
|
|
C13
|
A:V6116
|
4.1
|
59.9
|
0.7
|
|
CD2
|
A:LEU12
|
4.2
|
34.8
|
1.0
|
|
CB
|
B:LEU12
|
4.2
|
30.2
|
1.0
|
|
CD2
|
C:LEU12
|
4.3
|
47.5
|
1.0
|
|
CG
|
C:LEU12
|
4.3
|
43.5
|
1.0
|
|
CG
|
B:LEU12
|
4.3
|
42.1
|
1.0
|
|
CB
|
A:LEU12
|
4.4
|
32.5
|
1.0
|
|
F14
|
A:V6116
|
4.5
|
47.1
|
0.3
|
|
CD1
|
C:LEU12
|
4.5
|
46.2
|
1.0
|
|
CB
|
C:ALA16
|
4.5
|
31.1
|
1.0
|
|
CD1
|
A:LEU12
|
4.6
|
36.7
|
1.0
|
|
CG
|
A:LEU12
|
4.7
|
37.3
|
1.0
|
|
F12
|
A:V6116
|
4.7
|
69.3
|
0.7
|
|
C03
|
A:V6116
|
4.8
|
48.7
|
0.7
|
|
N
|
C:LEU13
|
4.9
|
20.7
|
1.0
|
|
C03
|
A:V6116
|
4.9
|
47.8
|
0.3
|
|
O
|
A:LEU12
|
5.0
|
28.1
|
1.0
|
|
Fluorine binding site 5 out
of 8 in 6xnf
Go back to
Fluorine Binding Sites List in 6xnf
Fluorine binding site 5 out
of 8 in the GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F16
b:64.9
occ:0.27
|
F12
|
A:V6116
|
0.0
|
64.9
|
0.3
|
|
C11
|
A:V6116
|
1.4
|
64.7
|
0.3
|
|
C13
|
A:V6116
|
2.3
|
59.0
|
0.3
|
|
C09
|
A:V6116
|
2.4
|
67.8
|
0.3
|
|
C09
|
A:V6116
|
2.4
|
69.5
|
0.7
|
|
F14
|
A:V6116
|
2.6
|
47.1
|
0.3
|
|
C07
|
A:V6116
|
2.7
|
66.2
|
0.7
|
|
C11
|
A:V6116
|
2.8
|
67.4
|
0.7
|
|
CB
|
B:ALA16
|
2.9
|
39.7
|
1.0
|
|
CD2
|
A:LEU12
|
3.0
|
34.8
|
1.0
|
|
I10
|
A:V6116
|
3.2
|
79.8
|
0.3
|
|
C05
|
A:V6116
|
3.3
|
64.4
|
0.7
|
|
I10
|
A:V6116
|
3.3
|
74.5
|
0.3
|
|
F08
|
A:V6116
|
3.3
|
65.7
|
0.7
|
|
C13
|
A:V6116
|
3.3
|
59.9
|
0.7
|
|
F12
|
A:V6116
|
3.4
|
69.3
|
0.7
|
|
C04
|
A:V6116
|
3.6
|
59.4
|
0.7
|
|
C07
|
A:V6116
|
3.6
|
65.8
|
0.3
|
|
C04
|
A:V6116
|
3.6
|
59.3
|
0.3
|
|
O
|
A:LEU12
|
3.9
|
28.1
|
1.0
|
|
CA
|
A:LEU12
|
4.0
|
34.3
|
1.0
|
|
CB
|
A:LYS15
|
4.0
|
33.4
|
1.0
|
|
CB
|
A:LEU12
|
4.0
|
32.5
|
1.0
|
|
CA
|
B:ALA16
|
4.1
|
44.8
|
1.0
|
|
C05
|
A:V6116
|
4.1
|
64.2
|
0.3
|
|
CG
|
A:LEU12
|
4.1
|
37.3
|
1.0
|
|
F06
|
A:V6116
|
4.2
|
66.7
|
0.7
|
|
F14
|
A:V6116
|
4.3
|
54.3
|
0.7
|
|
O
|
B:LEU12
|
4.4
|
29.7
|
1.0
|
|
C
|
A:LEU12
|
4.4
|
32.5
|
1.0
|
|
CD
|
A:LYS15
|
4.4
|
40.8
|
1.0
|
|
N
|
B:ALA16
|
4.6
|
46.2
|
1.0
|
|
N
|
A:V6116
|
4.7
|
30.8
|
1.0
|
|
F08
|
A:V6116
|
4.7
|
64.7
|
0.3
|
|
C03
|
A:V6116
|
4.8
|
48.7
|
0.7
|
|
C
|
B:LEU12
|
4.9
|
31.7
|
1.0
|
|
CG
|
A:LYS15
|
4.9
|
36.0
|
1.0
|
|
C03
|
A:V6116
|
4.9
|
47.8
|
0.3
|
|
Fluorine binding site 6 out
of 8 in 6xnf
Go back to
Fluorine Binding Sites List in 6xnf
Fluorine binding site 6 out
of 8 in the GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F16
b:69.3
occ:0.73
|
F12
|
A:V6116
|
0.0
|
69.3
|
0.7
|
|
C11
|
A:V6116
|
1.4
|
67.4
|
0.7
|
|
C09
|
A:V6116
|
2.4
|
69.5
|
0.7
|
|
C13
|
A:V6116
|
2.4
|
59.9
|
0.7
|
|
F14
|
A:V6116
|
2.7
|
54.3
|
0.7
|
|
CD1
|
A:LEU19
|
2.9
|
35.1
|
0.4
|
|
CA
|
B:ALA16
|
3.1
|
44.8
|
1.0
|
|
I10
|
A:V6116
|
3.1
|
74.5
|
0.3
|
|
C09
|
A:V6116
|
3.1
|
67.8
|
0.3
|
|
C11
|
A:V6116
|
3.2
|
64.7
|
0.3
|
|
CB
|
B:ALA16
|
3.2
|
39.7
|
1.0
|
|
CD1
|
B:LEU19
|
3.3
|
39.9
|
1.0
|
|
F12
|
A:V6116
|
3.4
|
64.9
|
0.3
|
|
C07
|
A:V6116
|
3.6
|
66.2
|
0.7
|
|
C04
|
A:V6116
|
3.7
|
59.4
|
0.7
|
|
I10
|
A:V6116
|
3.7
|
79.8
|
0.3
|
|
C07
|
A:V6116
|
3.7
|
65.8
|
0.3
|
|
C13
|
A:V6116
|
3.7
|
59.0
|
0.3
|
|
CD1
|
A:LEU19
|
3.8
|
34.9
|
0.6
|
|
N
|
B:ALA16
|
4.0
|
46.2
|
1.0
|
|
CB
|
B:LEU19
|
4.0
|
39.6
|
1.0
|
|
C05
|
A:V6116
|
4.1
|
64.4
|
0.7
|
|
C
|
B:ALA16
|
4.2
|
43.4
|
1.0
|
|
C05
|
A:V6116
|
4.2
|
64.2
|
0.3
|
|
O
|
B:ALA16
|
4.2
|
36.6
|
1.0
|
|
CG
|
B:LEU19
|
4.2
|
41.9
|
1.0
|
|
C04
|
A:V6116
|
4.3
|
59.3
|
0.3
|
|
F08
|
A:V6116
|
4.4
|
64.7
|
0.3
|
|
F14
|
A:V6116
|
4.4
|
47.1
|
0.3
|
|
CG
|
A:LEU19
|
4.5
|
31.7
|
0.4
|
|
O
|
B:LYS15
|
4.6
|
46.8
|
1.0
|
|
C
|
B:LYS15
|
4.6
|
51.8
|
1.0
|
|
CG
|
A:LEU19
|
4.7
|
31.7
|
0.6
|
|
CD1
|
C:LEU19
|
4.7
|
45.7
|
1.0
|
|
F08
|
A:V6116
|
4.7
|
65.7
|
0.7
|
|
C03
|
A:V6116
|
5.0
|
48.7
|
0.7
|
|
Fluorine binding site 7 out
of 8 in 6xnf
Go back to
Fluorine Binding Sites List in 6xnf
Fluorine binding site 7 out
of 8 in the GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F16
b:47.1
occ:0.27
|
F14
|
A:V6116
|
0.0
|
47.1
|
0.3
|
|
C13
|
A:V6116
|
1.3
|
59.0
|
0.3
|
|
O
|
A:LEU12
|
2.0
|
28.1
|
1.0
|
|
N
|
A:V6116
|
2.2
|
30.8
|
1.0
|
|
C11
|
A:V6116
|
2.3
|
64.7
|
0.3
|
|
C04
|
A:V6116
|
2.4
|
59.3
|
0.3
|
|
C04
|
A:V6116
|
2.6
|
59.4
|
0.7
|
|
F12
|
A:V6116
|
2.6
|
64.9
|
0.3
|
|
C
|
A:LYS15
|
2.8
|
28.6
|
1.0
|
|
CB
|
A:LYS15
|
2.8
|
33.4
|
1.0
|
|
C13
|
A:V6116
|
2.9
|
59.9
|
0.7
|
|
C05
|
A:V6116
|
2.9
|
64.4
|
0.7
|
|
C03
|
A:V6116
|
2.9
|
47.8
|
0.3
|
|
CA
|
A:V6116
|
3.0
|
38.3
|
0.3
|
|
CA
|
A:V6116
|
3.0
|
38.5
|
0.7
|
|
C03
|
A:V6116
|
3.0
|
48.7
|
0.7
|
|
C
|
A:LEU12
|
3.0
|
32.5
|
1.0
|
|
CA
|
A:LYS15
|
3.1
|
32.9
|
1.0
|
|
N
|
A:LYS15
|
3.4
|
23.3
|
1.0
|
|
C11
|
A:V6116
|
3.5
|
67.4
|
0.7
|
|
F06
|
A:V6116
|
3.5
|
66.7
|
0.7
|
|
F14
|
A:V6116
|
3.5
|
54.3
|
0.7
|
|
C07
|
A:V6116
|
3.5
|
66.2
|
0.7
|
|
CA
|
A:LEU12
|
3.5
|
34.3
|
1.0
|
|
C09
|
A:V6116
|
3.5
|
67.8
|
0.3
|
|
C05
|
A:V6116
|
3.6
|
64.2
|
0.3
|
|
O
|
A:LYS15
|
3.7
|
23.4
|
1.0
|
|
C09
|
A:V6116
|
3.7
|
69.5
|
0.7
|
|
C07
|
A:V6116
|
4.0
|
65.8
|
0.3
|
|
CG
|
A:LYS15
|
4.1
|
36.0
|
1.0
|
|
N
|
A:LEU13
|
4.2
|
28.6
|
1.0
|
|
CB
|
A:LEU12
|
4.2
|
32.5
|
1.0
|
|
O
|
A:GLU11
|
4.3
|
32.0
|
1.0
|
|
C
|
A:SER14
|
4.3
|
26.1
|
1.0
|
|
C
|
A:LEU13
|
4.4
|
37.4
|
1.0
|
|
F12
|
A:V6116
|
4.4
|
69.3
|
0.7
|
|
C
|
A:V6116
|
4.4
|
24.9
|
1.0
|
|
CD
|
A:LYS15
|
4.4
|
40.8
|
1.0
|
|
F08
|
A:V6116
|
4.5
|
65.7
|
0.7
|
|
O
|
A:LEU13
|
4.5
|
35.7
|
1.0
|
|
CD2
|
A:LEU12
|
4.5
|
34.8
|
1.0
|
|
CA
|
A:LEU13
|
4.6
|
31.0
|
1.0
|
|
F06
|
A:V6116
|
4.7
|
68.9
|
0.3
|
|
N
|
A:SER14
|
4.7
|
30.8
|
1.0
|
|
CB
|
B:ALA16
|
4.7
|
39.7
|
1.0
|
|
N
|
A:LEU12
|
4.7
|
35.5
|
1.0
|
|
CD1
|
A:LEU19
|
4.8
|
35.1
|
0.4
|
|
N
|
A:TYR17
|
4.9
|
22.2
|
1.0
|
|
O
|
A:SER14
|
4.9
|
33.2
|
1.0
|
|
C
|
A:GLU11
|
5.0
|
39.9
|
1.0
|
|
Fluorine binding site 8 out
of 8 in 6xnf
Go back to
Fluorine Binding Sites List in 6xnf
Fluorine binding site 8 out
of 8 in the GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of GCN4-P1 Peptide Trimer with Tetrafluoroiodophenylalanine Residue at Position 16 (Tfi-F16) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F16
b:54.3
occ:0.73
|
F14
|
A:V6116
|
0.0
|
54.3
|
0.7
|
|
C13
|
A:V6116
|
1.4
|
59.9
|
0.7
|
|
CD1
|
A:LEU19
|
2.1
|
35.1
|
0.4
|
|
C11
|
A:V6116
|
2.3
|
67.4
|
0.7
|
|
C04
|
A:V6116
|
2.4
|
59.4
|
0.7
|
|
F12
|
A:V6116
|
2.7
|
69.3
|
0.7
|
|
CA
|
A:V6116
|
2.8
|
38.5
|
0.7
|
|
CA
|
A:V6116
|
2.9
|
38.3
|
0.3
|
|
CG
|
A:LEU19
|
3.1
|
31.7
|
0.4
|
|
C03
|
A:V6116
|
3.1
|
48.7
|
0.7
|
|
C04
|
A:V6116
|
3.1
|
59.3
|
0.3
|
|
C13
|
A:V6116
|
3.1
|
59.0
|
0.3
|
|
CB
|
A:LEU19
|
3.1
|
26.9
|
0.4
|
|
CB
|
A:LEU19
|
3.2
|
27.0
|
0.6
|
|
O
|
A:LYS15
|
3.3
|
23.4
|
1.0
|
|
CD1
|
A:LEU19
|
3.4
|
34.9
|
0.6
|
|
CG
|
A:LEU19
|
3.4
|
31.7
|
0.6
|
|
N
|
A:V6116
|
3.4
|
30.8
|
1.0
|
|
CD1
|
C:LEU19
|
3.4
|
45.7
|
1.0
|
|
F14
|
A:V6116
|
3.5
|
47.1
|
0.3
|
|
C05
|
A:V6116
|
3.5
|
64.2
|
0.3
|
|
C03
|
A:V6116
|
3.5
|
47.8
|
0.3
|
|
C
|
A:LYS15
|
3.6
|
28.6
|
1.0
|
|
C11
|
A:V6116
|
3.6
|
64.7
|
0.3
|
|
C09
|
A:V6116
|
3.6
|
69.5
|
0.7
|
|
C05
|
A:V6116
|
3.7
|
64.4
|
0.7
|
|
C
|
A:V6116
|
3.9
|
24.9
|
1.0
|
|
C07
|
A:V6116
|
3.9
|
65.8
|
0.3
|
|
C09
|
A:V6116
|
4.0
|
67.8
|
0.3
|
|
O
|
A:V6116
|
4.0
|
26.3
|
1.0
|
|
C07
|
A:V6116
|
4.1
|
66.2
|
0.7
|
|
F06
|
A:V6116
|
4.2
|
68.9
|
0.3
|
|
F12
|
A:V6116
|
4.3
|
64.9
|
0.3
|
|
CD2
|
A:LEU19
|
4.4
|
32.1
|
0.4
|
|
CA
|
A:LEU19
|
4.5
|
21.4
|
0.4
|
|
CA
|
A:LEU19
|
4.5
|
20.4
|
0.6
|
|
N
|
A:LEU19
|
4.7
|
20.5
|
1.0
|
|
CB
|
A:LYS15
|
4.7
|
33.4
|
1.0
|
|
CA
|
A:LYS15
|
4.7
|
32.9
|
1.0
|
|
F06
|
A:V6116
|
4.8
|
66.7
|
0.7
|
|
F08
|
A:V6116
|
4.9
|
64.7
|
0.3
|
|
CD1
|
B:LEU19
|
4.9
|
39.9
|
1.0
|
|
CD2
|
A:LEU19
|
4.9
|
31.0
|
0.6
|
|
CG
|
C:LEU19
|
4.9
|
38.5
|
1.0
|
|
Reference:
R.K.Rowe Hartje,
M.Ferrero,
G.Cavallo,
P.Metrangolo,
A.Ho,
R.Czarny,
P.S.Ho.
Engineering Specific Protein-Protein Interactions Through Halogen and Hydrogen Bonds To Be Published.
Page generated: Sat Jul 10 13:55:48 2021
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