Fluorine in PDB 6ay7: Cartilage Homing Cysteine-Dense-Peptides
Protein crystallography data
The structure of Cartilage Homing Cysteine-Dense-Peptides, PDB code: 6ay7
was solved by
M.M.Gewe,
R.K.Strong,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
33.81 /
1.77
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
27.838,
47.125,
48.538,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
14 /
19.3
|
Other elements in 6ay7:
The structure of Cartilage Homing Cysteine-Dense-Peptides also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Cartilage Homing Cysteine-Dense-Peptides
(pdb code 6ay7). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the
Cartilage Homing Cysteine-Dense-Peptides, PDB code: 6ay7:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
Fluorine binding site 1 out
of 6 in 6ay7
Go back to
Fluorine Binding Sites List in 6ay7
Fluorine binding site 1 out
of 6 in the Cartilage Homing Cysteine-Dense-Peptides
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Cartilage Homing Cysteine-Dense-Peptides within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F103
b:15.2
occ:1.00
|
F1
|
A:TFA103
|
0.0
|
15.2
|
1.0
|
C2
|
A:TFA103
|
1.3
|
14.5
|
1.0
|
F2
|
A:TFA103
|
2.1
|
15.2
|
1.0
|
F3
|
A:TFA103
|
2.2
|
13.1
|
1.0
|
C1
|
A:TFA103
|
2.3
|
13.3
|
1.0
|
OXT
|
A:TFA103
|
2.6
|
12.1
|
1.0
|
O
|
A:TFA103
|
3.5
|
10.2
|
1.0
|
O
|
A:HOH210
|
4.7
|
20.9
|
1.0
|
|
Fluorine binding site 2 out
of 6 in 6ay7
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Fluorine Binding Sites List in 6ay7
Fluorine binding site 2 out
of 6 in the Cartilage Homing Cysteine-Dense-Peptides
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Cartilage Homing Cysteine-Dense-Peptides within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F103
b:15.2
occ:1.00
|
F2
|
A:TFA103
|
0.0
|
15.2
|
1.0
|
C2
|
A:TFA103
|
1.3
|
14.5
|
1.0
|
F1
|
A:TFA103
|
2.1
|
15.2
|
1.0
|
F3
|
A:TFA103
|
2.2
|
13.1
|
1.0
|
C1
|
A:TFA103
|
2.4
|
13.3
|
1.0
|
O
|
A:TFA103
|
2.8
|
10.2
|
1.0
|
OXT
|
A:TFA103
|
3.4
|
12.1
|
1.0
|
O
|
A:HOH220
|
4.6
|
13.9
|
1.0
|
|
Fluorine binding site 3 out
of 6 in 6ay7
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Fluorine Binding Sites List in 6ay7
Fluorine binding site 3 out
of 6 in the Cartilage Homing Cysteine-Dense-Peptides
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Cartilage Homing Cysteine-Dense-Peptides within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F103
b:13.1
occ:1.00
|
F3
|
A:TFA103
|
0.0
|
13.1
|
1.0
|
C2
|
A:TFA103
|
1.3
|
14.5
|
1.0
|
F1
|
A:TFA103
|
2.2
|
15.2
|
1.0
|
F2
|
A:TFA103
|
2.2
|
15.2
|
1.0
|
C1
|
A:TFA103
|
2.3
|
13.3
|
1.0
|
O
|
A:TFA103
|
2.9
|
10.2
|
1.0
|
OXT
|
A:TFA103
|
3.2
|
12.1
|
1.0
|
O
|
A:HOH220
|
3.4
|
13.9
|
1.0
|
ND1
|
A:HIS9
|
3.8
|
11.6
|
1.0
|
CB
|
A:HIS9
|
4.0
|
11.7
|
1.0
|
CG
|
A:HIS9
|
4.1
|
13.2
|
1.0
|
CE1
|
A:HIS9
|
4.7
|
14.5
|
1.0
|
O
|
A:HOH226
|
4.8
|
13.1
|
1.0
|
O
|
A:HOH210
|
4.8
|
20.9
|
1.0
|
|
Fluorine binding site 4 out
of 6 in 6ay7
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Fluorine Binding Sites List in 6ay7
Fluorine binding site 4 out
of 6 in the Cartilage Homing Cysteine-Dense-Peptides
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Cartilage Homing Cysteine-Dense-Peptides within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F102
b:19.1
occ:1.00
|
F1
|
B:TFA102
|
0.0
|
19.1
|
1.0
|
C2
|
B:TFA102
|
1.3
|
17.0
|
1.0
|
F3
|
B:TFA102
|
2.0
|
17.3
|
1.0
|
F2
|
B:TFA102
|
2.2
|
16.0
|
1.0
|
C1
|
B:TFA102
|
2.3
|
14.4
|
1.0
|
O
|
B:TFA102
|
2.6
|
16.5
|
1.0
|
OXT
|
B:TFA102
|
3.4
|
11.0
|
1.0
|
O
|
B:HOH203
|
4.7
|
25.5
|
1.0
|
O
|
B:HOH209
|
4.9
|
11.6
|
1.0
|
|
Fluorine binding site 5 out
of 6 in 6ay7
Go back to
Fluorine Binding Sites List in 6ay7
Fluorine binding site 5 out
of 6 in the Cartilage Homing Cysteine-Dense-Peptides
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Cartilage Homing Cysteine-Dense-Peptides within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F102
b:16.0
occ:1.00
|
F2
|
B:TFA102
|
0.0
|
16.0
|
1.0
|
C2
|
B:TFA102
|
1.3
|
17.0
|
1.0
|
F3
|
B:TFA102
|
2.1
|
17.3
|
1.0
|
F1
|
B:TFA102
|
2.2
|
19.1
|
1.0
|
C1
|
B:TFA102
|
2.3
|
14.4
|
1.0
|
OXT
|
B:TFA102
|
2.8
|
11.0
|
1.0
|
O
|
B:TFA102
|
3.2
|
16.5
|
1.0
|
CG
|
B:HIS9
|
3.5
|
15.4
|
1.0
|
ND1
|
B:HIS9
|
3.5
|
20.8
|
1.0
|
O
|
B:HOH209
|
3.7
|
11.6
|
1.0
|
CB
|
B:HIS9
|
3.8
|
12.3
|
1.0
|
CD2
|
B:HIS9
|
4.0
|
16.3
|
1.0
|
CE1
|
B:HIS9
|
4.0
|
22.3
|
1.0
|
NE2
|
B:HIS9
|
4.3
|
20.7
|
1.0
|
O
|
B:HOH229
|
4.5
|
10.7
|
1.0
|
O
|
B:HOH203
|
4.9
|
25.5
|
1.0
|
O
|
B:HOH242
|
5.0
|
32.3
|
1.0
|
|
Fluorine binding site 6 out
of 6 in 6ay7
Go back to
Fluorine Binding Sites List in 6ay7
Fluorine binding site 6 out
of 6 in the Cartilage Homing Cysteine-Dense-Peptides
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Cartilage Homing Cysteine-Dense-Peptides within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F102
b:17.3
occ:1.00
|
F3
|
B:TFA102
|
0.0
|
17.3
|
1.0
|
C2
|
B:TFA102
|
1.3
|
17.0
|
1.0
|
F1
|
B:TFA102
|
2.0
|
19.1
|
1.0
|
F2
|
B:TFA102
|
2.1
|
16.0
|
1.0
|
C1
|
B:TFA102
|
2.3
|
14.4
|
1.0
|
OXT
|
B:TFA102
|
2.7
|
11.0
|
1.0
|
O
|
B:HOH209
|
3.2
|
11.6
|
1.0
|
O
|
B:TFA102
|
3.3
|
16.5
|
1.0
|
|
Reference:
M.M.Gewe,
M.M.Gewe,
R.K.Strong.
N/A N/A.
Page generated: Thu Aug 1 17:47:30 2024
|