Fluorine in PDB 5uqa: Insulin with Proline Analog Fzp at Position B28 in the R6 State
Protein crystallography data
The structure of Insulin with Proline Analog Fzp at Position B28 in the R6 State, PDB code: 5uqa
was solved by
S.A.Lieblich,
K.Y.Fang,
D.A.Tirrell,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
35.53 /
1.31
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
46.936,
61.258,
60.390,
90.00,
111.69,
90.00
|
R / Rfree (%)
|
15.2 /
18.2
|
Other elements in 5uqa:
The structure of Insulin with Proline Analog Fzp at Position B28 in the R6 State also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Insulin with Proline Analog Fzp at Position B28 in the R6 State
(pdb code 5uqa). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the
Insulin with Proline Analog Fzp at Position B28 in the R6 State, PDB code: 5uqa:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
Fluorine binding site 1 out
of 6 in 5uqa
Go back to
Fluorine Binding Sites List in 5uqa
Fluorine binding site 1 out
of 6 in the Insulin with Proline Analog Fzp at Position B28 in the R6 State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Insulin with Proline Analog Fzp at Position B28 in the R6 State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F28
b:28.0
occ:1.00
|
FGX
|
B:4FB28
|
0.0
|
28.0
|
1.0
|
CGX
|
B:4FB28
|
1.4
|
26.6
|
1.0
|
CBX
|
B:4FB28
|
2.3
|
26.9
|
1.0
|
CDX
|
B:4FB28
|
2.4
|
28.0
|
1.0
|
CA
|
D:GLU21
|
2.9
|
21.6
|
1.0
|
CA
|
B:4FB28
|
3.0
|
26.2
|
1.0
|
O
|
D:GLY20
|
3.0
|
20.1
|
1.0
|
N
|
B:4FB28
|
3.0
|
26.4
|
1.0
|
C
|
B:4FB28
|
3.1
|
29.1
|
1.0
|
N
|
D:GLU21
|
3.1
|
20.1
|
1.0
|
C
|
D:GLY20
|
3.1
|
18.3
|
1.0
|
N
|
B:LYS29
|
3.2
|
30.9
|
1.0
|
CG
|
D:GLU21
|
3.3
|
26.7
|
1.0
|
CB
|
D:GLU21
|
3.7
|
24.1
|
1.0
|
O
|
B:4FB28
|
3.8
|
29.6
|
1.0
|
C
|
D:GLU21
|
4.0
|
21.6
|
1.0
|
CA
|
B:LYS29
|
4.2
|
34.2
|
1.0
|
CA
|
D:GLY20
|
4.2
|
18.2
|
1.0
|
O
|
B:HOH411
|
4.2
|
27.7
|
1.0
|
OG1
|
B:THR27
|
4.2
|
29.6
|
1.0
|
C
|
B:THR27
|
4.3
|
27.9
|
1.0
|
O
|
D:HOH216
|
4.3
|
22.1
|
1.0
|
O
|
D:GLU21
|
4.4
|
25.5
|
1.0
|
CD
|
D:GLU21
|
4.7
|
33.2
|
1.0
|
CB
|
B:LYS29
|
4.8
|
34.6
|
1.0
|
N
|
D:ARG22
|
4.9
|
20.6
|
1.0
|
O
|
D:HOH213
|
4.9
|
21.4
|
1.0
|
CA
|
B:THR27
|
5.0
|
26.4
|
1.0
|
|
Fluorine binding site 2 out
of 6 in 5uqa
Go back to
Fluorine Binding Sites List in 5uqa
Fluorine binding site 2 out
of 6 in the Insulin with Proline Analog Fzp at Position B28 in the R6 State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Insulin with Proline Analog Fzp at Position B28 in the R6 State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F28
b:36.1
occ:1.00
|
FGX
|
D:4FB28
|
0.0
|
36.1
|
1.0
|
CGX
|
D:4FB28
|
1.4
|
34.8
|
1.0
|
CBX
|
D:4FB28
|
2.3
|
33.9
|
1.0
|
CDX
|
D:4FB28
|
2.4
|
35.1
|
1.0
|
O
|
B:GLY20
|
3.0
|
31.8
|
1.0
|
CA
|
B:GLU21
|
3.0
|
32.7
|
1.0
|
CA
|
D:4FB28
|
3.1
|
33.7
|
1.0
|
N
|
D:4FB28
|
3.1
|
34.7
|
1.0
|
O
|
D:4FB28
|
3.2
|
35.7
|
1.0
|
C
|
B:GLY20
|
3.2
|
32.2
|
1.0
|
C
|
D:4FB28
|
3.3
|
34.4
|
1.0
|
N
|
B:GLU21
|
3.3
|
32.4
|
1.0
|
CG
|
B:GLU21
|
3.5
|
33.2
|
1.0
|
CB
|
B:GLU21
|
3.8
|
33.7
|
1.0
|
C
|
B:GLU21
|
4.1
|
34.5
|
1.0
|
CA
|
B:GLY20
|
4.3
|
29.5
|
1.0
|
C
|
D:THR27
|
4.3
|
33.0
|
1.0
|
O
|
D:HOH204
|
4.4
|
35.7
|
1.0
|
O
|
B:GLU21
|
4.4
|
37.5
|
1.0
|
OG1
|
D:THR27
|
4.5
|
40.0
|
1.0
|
O
|
B:HOH412
|
4.7
|
40.8
|
1.0
|
O
|
B:HOH408
|
4.9
|
28.9
|
1.0
|
N
|
B:ARG22
|
5.0
|
33.3
|
1.0
|
CA
|
D:THR27
|
5.0
|
32.4
|
1.0
|
|
Fluorine binding site 3 out
of 6 in 5uqa
Go back to
Fluorine Binding Sites List in 5uqa
Fluorine binding site 3 out
of 6 in the Insulin with Proline Analog Fzp at Position B28 in the R6 State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Insulin with Proline Analog Fzp at Position B28 in the R6 State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:F28
b:37.9
occ:1.00
|
FGX
|
F:4FB28
|
0.0
|
37.9
|
1.0
|
CGX
|
F:4FB28
|
1.4
|
35.3
|
1.0
|
CBX
|
F:4FB28
|
2.3
|
33.8
|
1.0
|
CDX
|
F:4FB28
|
2.4
|
31.8
|
1.0
|
O
|
H:GLU21
|
3.1
|
29.2
|
1.0
|
N
|
F:4FB28
|
3.1
|
29.4
|
1.0
|
CA
|
F:4FB28
|
3.1
|
32.5
|
1.0
|
CA
|
H:GLU21
|
3.2
|
27.9
|
1.0
|
C
|
F:4FB28
|
3.4
|
35.6
|
1.0
|
C
|
H:GLU21
|
3.5
|
27.0
|
1.0
|
N
|
F:LYS29
|
3.6
|
37.8
|
1.0
|
CB
|
H:GLU21
|
3.8
|
31.9
|
1.0
|
O
|
F:4FB28
|
4.1
|
37.3
|
1.0
|
O
|
F:HOH215
|
4.2
|
40.3
|
1.0
|
O
|
H:GLY20
|
4.2
|
22.5
|
1.0
|
CG
|
H:GLU21
|
4.3
|
36.8
|
1.0
|
N
|
H:GLU21
|
4.3
|
26.8
|
1.0
|
C
|
F:THR27
|
4.4
|
25.6
|
1.0
|
CA
|
F:LYS29
|
4.5
|
41.1
|
1.0
|
C
|
H:GLY20
|
4.7
|
24.6
|
1.0
|
N
|
H:ARG22
|
4.7
|
23.8
|
0.4
|
N
|
H:ARG22
|
4.7
|
24.7
|
0.6
|
OG1
|
F:THR27
|
4.8
|
29.6
|
0.7
|
CG2
|
F:THR27
|
4.9
|
30.5
|
0.3
|
CA
|
F:THR27
|
5.0
|
25.8
|
0.3
|
CA
|
F:THR27
|
5.0
|
24.8
|
0.7
|
|
Fluorine binding site 4 out
of 6 in 5uqa
Go back to
Fluorine Binding Sites List in 5uqa
Fluorine binding site 4 out
of 6 in the Insulin with Proline Analog Fzp at Position B28 in the R6 State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Insulin with Proline Analog Fzp at Position B28 in the R6 State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:F28
b:39.9
occ:1.00
|
FGX
|
H:4FB28
|
0.0
|
39.9
|
1.0
|
CGX
|
H:4FB28
|
1.4
|
36.0
|
1.0
|
CBX
|
H:4FB28
|
2.3
|
36.5
|
1.0
|
CDX
|
H:4FB28
|
2.4
|
34.1
|
1.0
|
O
|
F:HOH214
|
3.0
|
48.6
|
1.0
|
N
|
H:4FB28
|
3.0
|
34.3
|
1.0
|
CA
|
H:4FB28
|
3.1
|
35.1
|
1.0
|
O
|
F:GLU21
|
3.3
|
30.7
|
1.0
|
C
|
H:4FB28
|
3.5
|
37.5
|
1.0
|
CA
|
F:GLU21
|
3.7
|
29.4
|
1.0
|
O
|
F:HOH217
|
3.7
|
39.5
|
1.0
|
C
|
F:GLU21
|
3.7
|
27.6
|
1.0
|
O
|
F:GLY20
|
4.1
|
25.1
|
1.0
|
C
|
H:THR27
|
4.2
|
34.6
|
1.0
|
O
|
H:4FB28
|
4.3
|
37.5
|
1.0
|
N
|
F:GLY23
|
4.5
|
22.4
|
1.0
|
CB
|
F:GLU21
|
4.5
|
29.4
|
1.0
|
N
|
F:GLU21
|
4.7
|
29.8
|
1.0
|
CA
|
F:GLY23
|
4.7
|
22.0
|
1.0
|
C
|
F:GLY20
|
4.8
|
25.9
|
1.0
|
CA
|
H:THR27
|
4.8
|
31.5
|
1.0
|
N
|
F:ARG22
|
4.8
|
26.0
|
1.0
|
CE2
|
H:TYR26
|
4.9
|
25.5
|
1.0
|
|
Fluorine binding site 5 out
of 6 in 5uqa
Go back to
Fluorine Binding Sites List in 5uqa
Fluorine binding site 5 out
of 6 in the Insulin with Proline Analog Fzp at Position B28 in the R6 State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Insulin with Proline Analog Fzp at Position B28 in the R6 State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:F28
b:35.2
occ:1.00
|
FGX
|
J:4FB28
|
0.0
|
35.2
|
1.0
|
CGX
|
J:4FB28
|
1.4
|
33.0
|
1.0
|
CBX
|
J:4FB28
|
2.3
|
32.3
|
1.0
|
CDX
|
J:4FB28
|
2.4
|
30.8
|
1.0
|
N
|
J:4FB28
|
3.0
|
28.3
|
1.0
|
CA
|
J:4FB28
|
3.1
|
30.7
|
1.0
|
O
|
J:4FB28
|
3.3
|
36.2
|
1.0
|
O
|
L:HOH212
|
3.4
|
51.9
|
1.0
|
C
|
J:4FB28
|
3.4
|
33.8
|
1.0
|
O
|
L:GLU21
|
3.5
|
35.3
|
1.0
|
CA
|
L:GLU21
|
3.6
|
31.5
|
1.0
|
C
|
L:GLU21
|
3.9
|
33.3
|
1.0
|
C
|
J:THR27
|
4.2
|
29.0
|
1.0
|
CB
|
L:GLU21
|
4.3
|
31.9
|
1.0
|
O
|
L:GLY20
|
4.4
|
30.1
|
1.0
|
CG2
|
J:THR27
|
4.6
|
33.9
|
1.0
|
N
|
L:GLU21
|
4.7
|
31.3
|
1.0
|
CA
|
J:THR27
|
4.7
|
29.7
|
1.0
|
C
|
L:GLY20
|
4.9
|
30.6
|
1.0
|
|
Fluorine binding site 6 out
of 6 in 5uqa
Go back to
Fluorine Binding Sites List in 5uqa
Fluorine binding site 6 out
of 6 in the Insulin with Proline Analog Fzp at Position B28 in the R6 State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Insulin with Proline Analog Fzp at Position B28 in the R6 State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:F28
b:48.9
occ:1.00
|
FGX
|
L:4FB28
|
0.0
|
48.9
|
1.0
|
CGX
|
L:4FB28
|
1.4
|
46.4
|
1.0
|
CBX
|
L:4FB28
|
2.3
|
45.8
|
1.0
|
CDX
|
L:4FB28
|
2.4
|
44.5
|
1.0
|
O
|
J:GLU21
|
2.6
|
35.4
|
1.0
|
CA
|
J:GLU21
|
3.0
|
30.7
|
1.0
|
C
|
J:GLU21
|
3.0
|
32.1
|
1.0
|
N
|
L:4FB28
|
3.1
|
42.5
|
1.0
|
N
|
L:LYS29
|
3.1
|
49.4
|
1.0
|
CA
|
L:4FB28
|
3.1
|
44.5
|
1.0
|
C
|
L:4FB28
|
3.5
|
47.1
|
1.0
|
O
|
J:GLY20
|
3.5
|
24.6
|
1.0
|
CB
|
J:GLU21
|
3.9
|
32.5
|
1.0
|
N
|
J:GLU21
|
4.0
|
28.0
|
1.0
|
CB
|
L:LYS29
|
4.1
|
53.1
|
1.0
|
N
|
J:ARG22
|
4.1
|
30.6
|
1.0
|
N
|
J:GLY23
|
4.1
|
26.1
|
1.0
|
C
|
J:GLY20
|
4.1
|
25.6
|
1.0
|
CA
|
L:LYS29
|
4.2
|
52.5
|
1.0
|
C
|
L:THR27
|
4.2
|
40.8
|
1.0
|
C
|
J:ARG22
|
4.5
|
29.9
|
1.0
|
O
|
L:4FB28
|
4.6
|
48.1
|
1.0
|
CA
|
J:GLY23
|
4.6
|
24.0
|
1.0
|
CA
|
L:THR27
|
4.8
|
36.3
|
1.0
|
CA
|
J:ARG22
|
4.8
|
30.5
|
1.0
|
|
Reference:
S.A.Lieblich,
K.Y.Fang,
D.A.Tirrell.
Insulin with Proline Analog Fzp at Position B28 in the R6 State To Be Published.
Page generated: Thu Aug 1 15:42:36 2024
|