Fluorine in PDB 8ddf: Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet
Protein crystallography data
The structure of Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet, PDB code: 8ddf
was solved by
M.R.Sawaya,
A.Hazari,
D.E.Eisenberg,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
13.13 /
1.10
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
9.66,
26.26,
11.63,
90,
95.12,
90
|
R / Rfree (%)
|
9.2 /
12.7
|
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Fluorine atom in the Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet
(pdb code 8ddf). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the
Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet, PDB code: 8ddf:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 12 in 8ddf
Go back to
Fluorine Binding Sites List in 8ddf
Fluorine binding site 1 out
of 12 in the Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F101
b:12.0
occ:0.50
|
F7
|
A:CFH101
|
0.0
|
12.0
|
0.5
|
C1
|
A:CFH101
|
1.3
|
10.5
|
0.5
|
F5
|
A:CFH101
|
2.1
|
14.9
|
0.5
|
F6
|
A:CFH101
|
2.2
|
13.2
|
0.5
|
C2
|
A:CFH101
|
2.4
|
9.5
|
0.5
|
HZ3
|
A:TRP2
|
2.5
|
12.3
|
0.5
|
H2
|
A:PHE1
|
2.6
|
15.3
|
1.0
|
HD1
|
B:DPN3
|
2.6
|
23.7
|
1.0
|
F9
|
A:CFH101
|
2.8
|
10.8
|
0.5
|
O
|
A:HOH201
|
2.8
|
14.8
|
0.5
|
O4
|
A:CFH101
|
2.8
|
9.7
|
0.5
|
C3
|
A:CFH101
|
2.9
|
11.5
|
0.5
|
CZ3
|
A:TRP2
|
3.0
|
9.6
|
0.5
|
H1
|
A:PHE1
|
3.0
|
15.3
|
1.0
|
N
|
A:PHE1
|
3.1
|
9.6
|
1.0
|
HO4
|
A:CFH101
|
3.2
|
15.4
|
0.5
|
HH2
|
A:TRP2
|
3.2
|
14.7
|
0.5
|
F8
|
A:CFH101
|
3.3
|
14.5
|
0.5
|
H3
|
A:PHE1
|
3.3
|
15.3
|
1.0
|
CH2
|
A:TRP2
|
3.4
|
11.5
|
0.5
|
CD1
|
B:DPN3
|
3.5
|
18.5
|
1.0
|
O
|
B:DPN3
|
3.8
|
9.1
|
1.0
|
HE1
|
B:DPN3
|
3.9
|
28.4
|
1.0
|
CE3
|
A:TRP2
|
3.9
|
8.1
|
0.5
|
HB2
|
B:DPN3
|
4.0
|
11.6
|
1.0
|
F10
|
A:CFH101
|
4.1
|
10.8
|
0.5
|
HE3
|
A:TRP2
|
4.2
|
10.3
|
0.5
|
CE1
|
B:DPN3
|
4.2
|
22.2
|
1.0
|
CA
|
A:PHE1
|
4.5
|
8.0
|
1.0
|
CZ2
|
A:TRP2
|
4.5
|
9.8
|
0.5
|
CG
|
B:DPN3
|
4.5
|
10.2
|
1.0
|
C
|
B:DPN3
|
4.6
|
8.0
|
1.0
|
HA
|
A:PHE1
|
4.7
|
10.2
|
1.0
|
CB
|
B:DPN3
|
4.7
|
9.1
|
1.0
|
CD2
|
A:TRP2
|
5.0
|
7.5
|
0.5
|
|
Fluorine binding site 2 out
of 12 in 8ddf
Go back to
Fluorine Binding Sites List in 8ddf
Fluorine binding site 2 out
of 12 in the Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F101
b:14.9
occ:0.50
|
F5
|
A:CFH101
|
0.0
|
14.9
|
0.5
|
C1
|
A:CFH101
|
1.3
|
10.5
|
0.5
|
F7
|
A:CFH101
|
2.1
|
12.0
|
0.5
|
F6
|
A:CFH101
|
2.2
|
13.2
|
0.5
|
C2
|
A:CFH101
|
2.4
|
9.5
|
0.5
|
HZ3
|
A:TRP2
|
2.4
|
12.3
|
0.5
|
F8
|
A:CFH101
|
2.6
|
14.5
|
0.5
|
HH2
|
A:TRP2
|
2.7
|
14.7
|
0.5
|
C3
|
A:CFH101
|
2.9
|
11.5
|
0.5
|
CZ3
|
A:TRP2
|
3.1
|
9.6
|
0.5
|
CH2
|
A:TRP2
|
3.2
|
11.5
|
0.5
|
O4
|
A:CFH101
|
3.6
|
9.7
|
0.5
|
F9
|
A:CFH101
|
3.6
|
10.8
|
0.5
|
O
|
A:HOH201
|
3.6
|
14.8
|
0.5
|
HD1
|
B:DPN3
|
3.6
|
23.7
|
1.0
|
HO4
|
A:CFH101
|
3.7
|
15.4
|
0.5
|
HE1
|
B:DPN3
|
4.0
|
28.4
|
1.0
|
F10
|
A:CFH101
|
4.1
|
10.8
|
0.5
|
CD1
|
B:DPN3
|
4.3
|
18.5
|
1.0
|
H2
|
A:PHE1
|
4.3
|
15.3
|
1.0
|
CE3
|
A:TRP2
|
4.4
|
8.1
|
0.5
|
CE1
|
B:DPN3
|
4.5
|
22.2
|
1.0
|
CZ2
|
A:TRP2
|
4.6
|
9.8
|
0.5
|
HE3
|
A:TRP2
|
4.7
|
10.3
|
0.5
|
HZ2
|
A:TRP2
|
5.0
|
12.5
|
0.5
|
H1
|
A:PHE1
|
5.0
|
15.3
|
1.0
|
|
Fluorine binding site 3 out
of 12 in 8ddf
Go back to
Fluorine Binding Sites List in 8ddf
Fluorine binding site 3 out
of 12 in the Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F101
b:13.2
occ:0.50
|
F6
|
A:CFH101
|
0.0
|
13.2
|
0.5
|
C1
|
A:CFH101
|
1.3
|
10.5
|
0.5
|
F5
|
A:CFH101
|
2.2
|
14.9
|
0.5
|
F7
|
A:CFH101
|
2.2
|
12.0
|
0.5
|
C2
|
A:CFH101
|
2.3
|
9.5
|
0.5
|
HO4
|
A:CFH101
|
2.4
|
15.4
|
0.5
|
O
|
A:HOH201
|
2.5
|
14.8
|
0.5
|
O4
|
A:CFH101
|
2.7
|
9.7
|
0.5
|
HZ3
|
A:TRP2
|
3.2
|
12.3
|
0.5
|
C3
|
A:CFH101
|
3.7
|
11.5
|
0.5
|
H2
|
A:PHE1
|
3.8
|
15.3
|
1.0
|
H1
|
A:PHE1
|
3.9
|
15.3
|
1.0
|
CZ3
|
A:TRP2
|
4.1
|
9.6
|
0.5
|
F8
|
A:CFH101
|
4.1
|
14.5
|
0.5
|
F9
|
A:CFH101
|
4.2
|
10.8
|
0.5
|
N
|
A:PHE1
|
4.3
|
9.6
|
1.0
|
HH2
|
A:TRP2
|
4.5
|
14.7
|
0.5
|
F10
|
A:CFH101
|
4.7
|
10.8
|
0.5
|
HD1
|
B:DPN3
|
4.7
|
23.7
|
1.0
|
CH2
|
A:TRP2
|
4.8
|
11.5
|
0.5
|
H3
|
A:PHE1
|
4.8
|
15.3
|
1.0
|
HE3
|
A:TRP2
|
4.9
|
10.3
|
0.5
|
|
Fluorine binding site 4 out
of 12 in 8ddf
Go back to
Fluorine Binding Sites List in 8ddf
Fluorine binding site 4 out
of 12 in the Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F101
b:10.8
occ:0.50
|
F10
|
A:CFH101
|
0.0
|
10.8
|
0.5
|
CE3
|
A:TRP2
|
1.2
|
8.1
|
0.5
|
HE3
|
A:TRP2
|
1.2
|
10.3
|
0.5
|
C3
|
A:CFH101
|
1.3
|
11.5
|
0.5
|
CZ3
|
A:TRP2
|
1.5
|
9.6
|
0.5
|
HZ3
|
A:TRP2
|
1.8
|
12.3
|
0.5
|
F9
|
A:CFH101
|
2.1
|
10.8
|
0.5
|
F8
|
A:CFH101
|
2.2
|
14.5
|
0.5
|
C2
|
A:CFH101
|
2.4
|
9.5
|
0.5
|
CD2
|
A:TRP2
|
2.4
|
7.5
|
0.5
|
CH2
|
A:TRP2
|
2.7
|
11.5
|
0.5
|
O4
|
A:CFH101
|
2.9
|
9.7
|
0.5
|
HB2
|
A:TRP2
|
3.1
|
11.7
|
0.5
|
O
|
A:HOH201
|
3.2
|
14.8
|
0.5
|
CE2
|
A:TRP2
|
3.3
|
8.1
|
0.5
|
HH2
|
A:TRP2
|
3.4
|
14.7
|
0.5
|
CZ2
|
A:TRP2
|
3.4
|
9.8
|
0.5
|
HB2
|
A:TRP2
|
3.5
|
11.2
|
0.5
|
CG
|
A:TRP2
|
3.5
|
8.8
|
0.5
|
HO4
|
A:CFH101
|
3.5
|
15.4
|
0.5
|
H2
|
A:PHE1
|
3.6
|
15.3
|
1.0
|
C1
|
A:CFH101
|
3.7
|
10.5
|
0.5
|
HB3
|
A:TRP2
|
3.8
|
11.7
|
0.5
|
CB
|
A:TRP2
|
3.9
|
9.2
|
0.5
|
CB
|
A:TRP2
|
3.9
|
8.8
|
0.5
|
HE3
|
A:TRP2
|
4.0
|
17.9
|
0.5
|
H
|
A:TRP2
|
4.0
|
9.5
|
1.0
|
F5
|
A:CFH101
|
4.1
|
14.9
|
0.5
|
F7
|
A:CFH101
|
4.1
|
12.0
|
0.5
|
N
|
A:TRP2
|
4.2
|
7.4
|
1.0
|
HZ2
|
A:TRP2
|
4.3
|
12.5
|
0.5
|
NE1
|
A:TRP2
|
4.4
|
9.7
|
0.5
|
N
|
A:PHE1
|
4.5
|
9.6
|
1.0
|
HA
|
A:PHE1
|
4.5
|
10.2
|
1.0
|
C
|
A:PHE1
|
4.5
|
6.6
|
1.0
|
CD1
|
A:TRP2
|
4.5
|
9.3
|
0.5
|
CA
|
A:TRP2
|
4.6
|
7.6
|
0.5
|
CA
|
A:TRP2
|
4.7
|
7.5
|
0.5
|
F6
|
A:CFH101
|
4.7
|
13.2
|
0.5
|
CA
|
A:PHE1
|
4.7
|
8.0
|
1.0
|
HB2
|
B:DPN3
|
4.7
|
11.6
|
1.0
|
HB3
|
A:TRP2
|
4.8
|
11.2
|
0.5
|
CE3
|
A:TRP2
|
4.8
|
14.0
|
0.5
|
H1
|
A:PHE1
|
4.9
|
15.3
|
1.0
|
H3
|
A:PHE1
|
4.9
|
15.3
|
1.0
|
HD1
|
B:DPN3
|
4.9
|
23.7
|
1.0
|
CG
|
A:TRP2
|
5.0
|
10.4
|
0.5
|
|
Fluorine binding site 5 out
of 12 in 8ddf
Go back to
Fluorine Binding Sites List in 8ddf
Fluorine binding site 5 out
of 12 in the Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F101
b:14.5
occ:0.50
|
F8
|
A:CFH101
|
0.0
|
14.5
|
0.5
|
CZ3
|
A:TRP2
|
1.1
|
9.6
|
0.5
|
CH2
|
A:TRP2
|
1.2
|
11.5
|
0.5
|
HZ3
|
A:TRP2
|
1.3
|
12.3
|
0.5
|
C3
|
A:CFH101
|
1.3
|
11.5
|
0.5
|
HH2
|
A:TRP2
|
1.4
|
14.7
|
0.5
|
F9
|
A:CFH101
|
2.1
|
10.8
|
0.5
|
F10
|
A:CFH101
|
2.2
|
10.8
|
0.5
|
C2
|
A:CFH101
|
2.3
|
9.5
|
0.5
|
CE3
|
A:TRP2
|
2.4
|
8.1
|
0.5
|
CZ2
|
A:TRP2
|
2.5
|
9.8
|
0.5
|
F5
|
A:CFH101
|
2.6
|
14.9
|
0.5
|
C1
|
A:CFH101
|
2.8
|
10.5
|
0.5
|
HE3
|
A:TRP2
|
3.0
|
10.3
|
0.5
|
HZ2
|
A:TRP2
|
3.1
|
12.5
|
0.5
|
CD2
|
A:TRP2
|
3.2
|
7.5
|
0.5
|
CE2
|
A:TRP2
|
3.3
|
8.1
|
0.5
|
F7
|
A:CFH101
|
3.3
|
12.0
|
0.5
|
O4
|
A:CFH101
|
3.6
|
9.7
|
0.5
|
HD1
|
B:DPN3
|
3.6
|
23.7
|
1.0
|
O
|
A:HOH201
|
3.9
|
14.8
|
0.5
|
F6
|
A:CFH101
|
4.1
|
13.2
|
0.5
|
H2
|
A:PHE1
|
4.1
|
15.3
|
1.0
|
HO4
|
A:CFH101
|
4.2
|
15.4
|
0.5
|
CD1
|
B:DPN3
|
4.2
|
18.5
|
1.0
|
HB2
|
B:DPN3
|
4.4
|
11.6
|
1.0
|
NE1
|
A:TRP2
|
4.6
|
9.7
|
0.5
|
HE3
|
A:TRP2
|
4.6
|
17.9
|
0.5
|
CG
|
A:TRP2
|
4.7
|
8.8
|
0.5
|
HB2
|
A:TRP2
|
4.7
|
11.7
|
0.5
|
HE1
|
B:DPN3
|
4.7
|
28.4
|
1.0
|
CE1
|
B:DPN3
|
4.8
|
22.2
|
1.0
|
CG
|
B:DPN3
|
4.9
|
10.2
|
1.0
|
N
|
A:PHE1
|
5.0
|
9.6
|
1.0
|
|
Fluorine binding site 6 out
of 12 in 8ddf
Go back to
Fluorine Binding Sites List in 8ddf
Fluorine binding site 6 out
of 12 in the Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F101
b:10.8
occ:0.50
|
F9
|
A:CFH101
|
0.0
|
10.8
|
0.5
|
CZ3
|
A:TRP2
|
1.1
|
9.6
|
0.5
|
CE3
|
A:TRP2
|
1.3
|
8.1
|
0.5
|
C3
|
A:CFH101
|
1.3
|
11.5
|
0.5
|
HZ3
|
A:TRP2
|
1.6
|
12.3
|
0.5
|
HE3
|
A:TRP2
|
1.9
|
10.3
|
0.5
|
CH2
|
A:TRP2
|
1.9
|
11.5
|
0.5
|
F10
|
A:CFH101
|
2.1
|
10.8
|
0.5
|
F8
|
A:CFH101
|
2.1
|
14.5
|
0.5
|
CD2
|
A:TRP2
|
2.2
|
7.5
|
0.5
|
H2
|
A:PHE1
|
2.3
|
15.3
|
1.0
|
C2
|
A:CFH101
|
2.4
|
9.5
|
0.5
|
HH2
|
A:TRP2
|
2.6
|
14.7
|
0.5
|
CZ2
|
A:TRP2
|
2.6
|
9.8
|
0.5
|
CE2
|
A:TRP2
|
2.7
|
8.1
|
0.5
|
F7
|
A:CFH101
|
2.8
|
12.0
|
0.5
|
HB2
|
B:DPN3
|
2.8
|
11.6
|
1.0
|
O4
|
A:CFH101
|
2.8
|
9.7
|
0.5
|
C1
|
A:CFH101
|
3.0
|
10.5
|
0.5
|
HD1
|
B:DPN3
|
3.0
|
23.7
|
1.0
|
O
|
A:HOH201
|
3.1
|
14.8
|
0.5
|
N
|
A:PHE1
|
3.1
|
9.6
|
1.0
|
H3
|
A:PHE1
|
3.3
|
15.3
|
1.0
|
HZ2
|
A:TRP2
|
3.5
|
12.5
|
0.5
|
HB2
|
A:TRP2
|
3.5
|
11.7
|
0.5
|
CG
|
A:TRP2
|
3.5
|
8.8
|
0.5
|
F5
|
A:CFH101
|
3.6
|
14.9
|
0.5
|
C
|
A:PHE1
|
3.6
|
6.6
|
1.0
|
HO4
|
A:CFH101
|
3.6
|
15.4
|
0.5
|
H1
|
A:PHE1
|
3.7
|
15.3
|
1.0
|
CB
|
B:DPN3
|
3.7
|
9.1
|
1.0
|
CD1
|
B:DPN3
|
3.8
|
18.5
|
1.0
|
CA
|
A:PHE1
|
3.8
|
8.0
|
1.0
|
O
|
A:PHE1
|
3.9
|
9.2
|
1.0
|
HE3
|
A:TRP2
|
3.9
|
17.9
|
0.5
|
N
|
A:TRP2
|
3.9
|
7.4
|
1.0
|
NE1
|
A:TRP2
|
3.9
|
9.7
|
0.5
|
HA
|
A:PHE1
|
4.0
|
10.2
|
1.0
|
HB3
|
B:DPN3
|
4.1
|
11.6
|
1.0
|
CG
|
B:DPN3
|
4.1
|
10.2
|
1.0
|
H
|
A:TRP2
|
4.1
|
9.5
|
1.0
|
O
|
B:DPN3
|
4.2
|
9.1
|
1.0
|
F6
|
A:CFH101
|
4.2
|
13.2
|
0.5
|
HB2
|
A:TRP2
|
4.2
|
11.2
|
0.5
|
CD1
|
A:TRP2
|
4.3
|
9.3
|
0.5
|
CB
|
A:TRP2
|
4.3
|
8.8
|
0.5
|
CB
|
A:TRP2
|
4.3
|
9.2
|
0.5
|
H
|
B:DPN3
|
4.5
|
9.6
|
1.0
|
CA
|
A:TRP2
|
4.6
|
7.6
|
0.5
|
CA
|
A:TRP2
|
4.6
|
7.5
|
0.5
|
HA
|
A:TRP2
|
4.6
|
9.7
|
0.5
|
HE1
|
A:TRP2
|
4.6
|
12.3
|
0.5
|
HA
|
A:TRP2
|
4.6
|
9.6
|
0.5
|
HB3
|
A:TRP2
|
4.7
|
11.7
|
0.5
|
CA
|
B:DPN3
|
4.7
|
7.3
|
1.0
|
CE3
|
A:TRP2
|
4.8
|
14.0
|
0.5
|
C
|
B:DPN3
|
4.8
|
8.0
|
1.0
|
CE1
|
B:DPN3
|
4.9
|
22.2
|
1.0
|
|
Fluorine binding site 7 out
of 12 in 8ddf
Go back to
Fluorine Binding Sites List in 8ddf
Fluorine binding site 7 out
of 12 in the Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F101
b:19.6
occ:0.50
|
F7
|
B:CFH101
|
0.0
|
19.6
|
0.5
|
HE2
|
B:DTY2
|
1.2
|
15.7
|
0.5
|
C1
|
B:CFH101
|
1.3
|
15.1
|
0.5
|
CE2
|
B:DTY2
|
1.4
|
12.3
|
0.5
|
CD2
|
B:DTY2
|
1.9
|
11.0
|
0.5
|
F5
|
B:CFH101
|
2.0
|
17.3
|
0.5
|
HD2
|
B:DTY2
|
2.1
|
14.0
|
0.5
|
F6
|
B:CFH101
|
2.2
|
31.2
|
0.5
|
C2
|
B:CFH101
|
2.4
|
11.6
|
0.5
|
CZ
|
B:DTY2
|
2.4
|
8.4
|
0.5
|
O4
|
B:CFH101
|
2.7
|
10.2
|
0.5
|
HH
|
B:DTY2
|
2.9
|
18.9
|
0.5
|
OH
|
B:DTY2
|
3.1
|
11.8
|
0.5
|
CG
|
B:DTY2
|
3.1
|
7.3
|
0.5
|
CE1
|
B:DTY2
|
3.4
|
8.1
|
0.5
|
HO4
|
B:CFH101
|
3.5
|
16.2
|
0.5
|
HB3
|
B:DTY2
|
3.5
|
11.9
|
0.5
|
H3
|
B:DPN1
|
3.5
|
15.4
|
1.0
|
CD1
|
B:DTY2
|
3.6
|
8.7
|
0.5
|
C3
|
B:CFH101
|
3.7
|
15.0
|
0.5
|
HD2
|
A:PHE3
|
3.9
|
14.9
|
1.0
|
F8
|
B:CFH101
|
4.0
|
18.4
|
0.5
|
HE1
|
B:DTY2
|
4.1
|
10.3
|
0.5
|
F10
|
B:CFH101
|
4.3
|
24.4
|
0.5
|
HB3
|
B:DTY2
|
4.3
|
10.1
|
0.5
|
CB
|
B:DTY2
|
4.3
|
7.9
|
0.5
|
CB
|
B:DTY2
|
4.3
|
9.3
|
0.5
|
HB3
|
A:PHE3
|
4.4
|
11.4
|
1.0
|
HB2
|
B:DTY2
|
4.4
|
11.9
|
0.5
|
N
|
B:DPN1
|
4.4
|
9.6
|
1.0
|
HD1
|
B:DTY2
|
4.5
|
11.1
|
0.5
|
H
|
B:DTY2
|
4.5
|
9.2
|
1.0
|
N
|
B:DTY2
|
4.6
|
7.2
|
1.0
|
F9
|
B:CFH101
|
4.7
|
17.1
|
0.5
|
C
|
B:DPN1
|
4.7
|
7.7
|
1.0
|
HA
|
B:DPN1
|
4.7
|
10.8
|
1.0
|
CD2
|
A:PHE3
|
4.7
|
11.7
|
1.0
|
H2
|
B:DPN1
|
4.8
|
15.4
|
1.0
|
H
|
B:DPN1
|
4.8
|
15.4
|
1.0
|
CA
|
B:DPN1
|
4.9
|
8.5
|
1.0
|
HD2
|
B:DTY2
|
4.9
|
20.3
|
0.5
|
|
Fluorine binding site 8 out
of 12 in 8ddf
Go back to
Fluorine Binding Sites List in 8ddf
Fluorine binding site 8 out
of 12 in the Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F101
b:17.3
occ:0.50
|
F5
|
B:CFH101
|
0.0
|
17.3
|
0.5
|
C1
|
B:CFH101
|
1.3
|
15.1
|
0.5
|
F7
|
B:CFH101
|
2.0
|
19.6
|
0.5
|
H3
|
B:DPN1
|
2.1
|
15.4
|
1.0
|
F6
|
B:CFH101
|
2.2
|
31.2
|
0.5
|
C2
|
B:CFH101
|
2.4
|
11.6
|
0.5
|
HD2
|
A:PHE3
|
2.4
|
14.9
|
1.0
|
O4
|
B:CFH101
|
2.6
|
10.2
|
0.5
|
F8
|
B:CFH101
|
2.7
|
18.4
|
0.5
|
HB3
|
A:PHE3
|
2.7
|
11.4
|
1.0
|
CE2
|
B:DTY2
|
2.8
|
12.3
|
0.5
|
N
|
B:DPN1
|
2.9
|
9.6
|
1.0
|
HE2
|
B:DTY2
|
3.0
|
15.7
|
0.5
|
CZ
|
B:DTY2
|
3.0
|
8.4
|
0.5
|
C3
|
B:CFH101
|
3.0
|
15.0
|
0.5
|
HH
|
B:DTY2
|
3.0
|
18.9
|
0.5
|
CD2
|
B:DTY2
|
3.1
|
11.0
|
0.5
|
H2
|
B:DPN1
|
3.1
|
15.4
|
1.0
|
CD2
|
A:PHE3
|
3.3
|
11.7
|
1.0
|
HO4
|
B:CFH101
|
3.4
|
16.2
|
0.5
|
H
|
B:DPN1
|
3.4
|
15.4
|
1.0
|
CE1
|
B:DTY2
|
3.4
|
8.1
|
0.5
|
OH
|
B:DTY2
|
3.5
|
11.8
|
0.5
|
HD2
|
B:DTY2
|
3.5
|
14.0
|
0.5
|
CB
|
A:PHE3
|
3.6
|
8.9
|
1.0
|
CG
|
B:DTY2
|
3.6
|
7.3
|
0.5
|
CD1
|
B:DTY2
|
3.7
|
8.7
|
0.5
|
C
|
B:DPN1
|
3.8
|
7.7
|
1.0
|
F10
|
B:CFH101
|
3.8
|
24.4
|
0.5
|
CA
|
B:DPN1
|
3.8
|
8.5
|
1.0
|
CG
|
A:PHE3
|
3.9
|
10.0
|
1.0
|
HB3
|
B:DTY2
|
3.9
|
11.9
|
0.5
|
HE1
|
B:DTY2
|
3.9
|
10.3
|
0.5
|
O
|
A:PHE3
|
4.0
|
10.5
|
1.0
|
O
|
B:DPN1
|
4.0
|
10.4
|
1.0
|
HA
|
B:DPN1
|
4.0
|
10.8
|
1.0
|
HB2
|
A:PHE3
|
4.1
|
11.4
|
1.0
|
F9
|
B:CFH101
|
4.1
|
17.1
|
0.5
|
N
|
B:DTY2
|
4.2
|
7.2
|
1.0
|
CE2
|
A:PHE3
|
4.3
|
13.2
|
1.0
|
HE2
|
A:PHE3
|
4.3
|
16.9
|
1.0
|
H
|
B:DTY2
|
4.4
|
9.2
|
1.0
|
HD1
|
B:DTY2
|
4.4
|
11.1
|
0.5
|
H
|
A:PHE3
|
4.6
|
9.5
|
1.0
|
CA
|
A:PHE3
|
4.6
|
8.2
|
1.0
|
C
|
A:PHE3
|
4.6
|
9.5
|
1.0
|
CB
|
B:DTY2
|
4.7
|
7.9
|
0.5
|
CB
|
B:DTY2
|
4.7
|
9.3
|
0.5
|
CA
|
B:DTY2
|
4.9
|
7.2
|
0.5
|
CA
|
B:DTY2
|
4.9
|
7.2
|
0.5
|
HA
|
B:DTY2
|
4.9
|
9.1
|
0.5
|
HA
|
B:DTY2
|
5.0
|
9.2
|
0.5
|
|
Fluorine binding site 9 out
of 12 in 8ddf
Go back to
Fluorine Binding Sites List in 8ddf
Fluorine binding site 9 out
of 12 in the Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F101
b:31.2
occ:0.50
|
F6
|
B:CFH101
|
0.0
|
31.2
|
0.5
|
C1
|
B:CFH101
|
1.3
|
15.1
|
0.5
|
HH
|
B:DTY2
|
2.1
|
18.9
|
0.5
|
F7
|
B:CFH101
|
2.2
|
19.6
|
0.5
|
F5
|
B:CFH101
|
2.2
|
17.3
|
0.5
|
C2
|
B:CFH101
|
2.4
|
11.6
|
0.5
|
HE2
|
B:DTY2
|
2.5
|
15.7
|
0.5
|
OH
|
B:DTY2
|
2.7
|
11.8
|
0.5
|
F10
|
B:CFH101
|
2.8
|
24.4
|
0.5
|
C3
|
B:CFH101
|
2.8
|
15.0
|
0.5
|
HD2
|
A:PHE3
|
2.8
|
14.9
|
1.0
|
CE2
|
B:DTY2
|
2.9
|
12.3
|
0.5
|
F8
|
B:CFH101
|
3.0
|
18.4
|
0.5
|
CZ
|
B:DTY2
|
3.0
|
8.4
|
0.5
|
CD2
|
A:PHE3
|
3.5
|
11.7
|
1.0
|
O4
|
B:CFH101
|
3.5
|
10.2
|
0.5
|
HE2
|
A:PHE3
|
3.5
|
16.9
|
1.0
|
CE2
|
A:PHE3
|
3.9
|
13.2
|
1.0
|
CD2
|
B:DTY2
|
3.9
|
11.0
|
0.5
|
H3
|
B:DPN1
|
4.1
|
15.4
|
1.0
|
F9
|
B:CFH101
|
4.1
|
17.1
|
0.5
|
CE1
|
B:DTY2
|
4.1
|
8.1
|
0.5
|
HO4
|
B:CFH101
|
4.2
|
16.2
|
0.5
|
HD2
|
B:DTY2
|
4.2
|
14.0
|
0.5
|
HB3
|
A:PHE3
|
4.4
|
11.4
|
1.0
|
HE1
|
B:DTY2
|
4.5
|
10.3
|
0.5
|
CG
|
A:PHE3
|
4.6
|
10.0
|
1.0
|
CG
|
B:DTY2
|
4.9
|
7.3
|
0.5
|
N
|
B:DPN1
|
4.9
|
9.6
|
1.0
|
CD1
|
B:DTY2
|
4.9
|
8.7
|
0.5
|
CB
|
A:PHE3
|
5.0
|
8.9
|
1.0
|
|
Fluorine binding site 10 out
of 12 in 8ddf
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Fluorine Binding Sites List in 8ddf
Fluorine binding site 10 out
of 12 in the Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Quasi-Racemic Mixture of L-Fwf and D-Fyf Peptide Reveals Rippled Beta- Sheet within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F101
b:24.4
occ:0.50
|
F10
|
B:CFH101
|
0.0
|
24.4
|
0.5
|
C3
|
B:CFH101
|
1.3
|
15.0
|
0.5
|
F9
|
B:CFH101
|
2.1
|
17.1
|
0.5
|
F8
|
B:CFH101
|
2.1
|
18.4
|
0.5
|
C2
|
B:CFH101
|
2.5
|
11.6
|
0.5
|
F6
|
B:CFH101
|
2.8
|
31.2
|
0.5
|
C1
|
B:CFH101
|
3.1
|
15.1
|
0.5
|
O4
|
B:CFH101
|
3.7
|
10.2
|
0.5
|
F5
|
B:CFH101
|
3.8
|
17.3
|
0.5
|
HO4
|
B:CFH101
|
3.9
|
16.2
|
0.5
|
HD2
|
A:PHE3
|
4.1
|
14.9
|
1.0
|
HE2
|
A:PHE3
|
4.1
|
16.9
|
1.0
|
F7
|
B:CFH101
|
4.3
|
19.6
|
0.5
|
H3
|
B:DPN1
|
4.5
|
15.4
|
1.0
|
HH
|
B:DTY2
|
4.7
|
18.9
|
0.5
|
CD2
|
A:PHE3
|
4.8
|
11.7
|
1.0
|
CE2
|
A:PHE3
|
4.8
|
13.2
|
1.0
|
H
|
B:DPN1
|
4.9
|
15.4
|
1.0
|
HE2
|
B:DTY2
|
4.9
|
15.7
|
0.5
|
|
Reference:
A.Hazari,
M.R.Sawaya,
N.Vlahakis,
T.C.Johnstone,
D.Boyer,
J.Rodriguez,
D.Eisenberg,
J.A.Raskatov.
The Rippled Beta-Sheet Layer Configuration-A Novel Supramolecular Architecture Based on Predictions By Pauling and Corey. Chem Sci V. 13 8947 2022.
ISSN: ISSN 2041-6520
PubMed: 36091211
DOI: 10.1039/D2SC02531K
Page generated: Fri Aug 2 17:28:07 2024
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