Fluorine in PDB 7xme: Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative
Protein crystallography data
The structure of Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative, PDB code: 7xme
was solved by
Z.Zhang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
45.96 /
2.52
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
176.791,
31.306,
114.552,
90,
95.31,
90
|
R / Rfree (%)
|
25 /
33
|
Other elements in 7xme:
The structure of Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative
(pdb code 7xme). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the
Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative, PDB code: 7xme:
Jump to Fluorine binding site number:
1;
2;
3;
4;
Fluorine binding site 1 out
of 4 in 7xme
Go back to
Fluorine Binding Sites List in 7xme
Fluorine binding site 1 out
of 4 in the Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F202
b:30.0
occ:1.00
|
F23
|
A:GIH202
|
0.0
|
30.0
|
1.0
|
C22
|
A:GIH202
|
1.4
|
30.0
|
1.0
|
C21
|
A:GIH202
|
2.3
|
30.0
|
1.0
|
C24
|
A:GIH202
|
2.4
|
30.0
|
1.0
|
H211
|
A:GIH202
|
2.5
|
30.0
|
1.0
|
H241
|
A:GIH202
|
2.5
|
30.0
|
1.0
|
H071
|
A:GIH202
|
2.7
|
30.0
|
1.0
|
CE
|
A:MET131
|
3.3
|
28.7
|
1.0
|
N20
|
A:GIH202
|
3.5
|
30.0
|
1.0
|
C07
|
A:GIH202
|
3.6
|
30.0
|
1.0
|
C25
|
A:GIH202
|
3.6
|
30.0
|
1.0
|
NE2
|
A:GLN106
|
3.7
|
25.2
|
1.0
|
CD
|
A:GLN106
|
3.8
|
49.4
|
1.0
|
H072
|
A:GIH202
|
3.8
|
30.0
|
1.0
|
H061
|
A:GIH202
|
3.9
|
30.0
|
1.0
|
CG
|
A:GLN106
|
4.0
|
29.2
|
1.0
|
O
|
A:PHE104
|
4.0
|
31.7
|
1.0
|
SD
|
A:MET131
|
4.0
|
52.9
|
1.0
|
CD1
|
A:PHE104
|
4.0
|
32.0
|
1.0
|
CE1
|
A:PHE104
|
4.0
|
25.4
|
1.0
|
C19
|
A:GIH202
|
4.0
|
30.0
|
1.0
|
C06
|
A:GIH202
|
4.2
|
30.0
|
1.0
|
OE1
|
A:GLN106
|
4.2
|
45.3
|
1.0
|
H111
|
A:GIH202
|
4.3
|
30.0
|
1.0
|
CG
|
A:MET131
|
4.4
|
48.1
|
1.0
|
H081
|
A:GIH202
|
4.4
|
30.0
|
1.0
|
CD2
|
A:HIS57
|
4.4
|
34.4
|
1.0
|
H062
|
A:GIH202
|
4.5
|
30.0
|
1.0
|
C08
|
A:GIH202
|
4.5
|
30.0
|
1.0
|
O03
|
A:GIH202
|
4.7
|
30.0
|
1.0
|
CG
|
A:PHE104
|
4.8
|
37.8
|
1.0
|
CZ
|
A:PHE104
|
4.8
|
26.3
|
1.0
|
NE2
|
A:HIS57
|
4.8
|
32.6
|
1.0
|
CA
|
A:PHE104
|
4.8
|
25.6
|
1.0
|
C
|
A:PHE104
|
4.9
|
35.3
|
1.0
|
C16
|
A:GIH202
|
4.9
|
30.0
|
1.0
|
C11
|
A:GIH202
|
4.9
|
30.0
|
1.0
|
N14
|
A:GIH202
|
5.0
|
30.0
|
1.0
|
O
|
A:ARG55
|
5.0
|
31.4
|
1.0
|
|
Fluorine binding site 2 out
of 4 in 7xme
Go back to
Fluorine Binding Sites List in 7xme
Fluorine binding site 2 out
of 4 in the Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F202
b:30.0
occ:1.00
|
F23
|
B:GIH202
|
0.0
|
30.0
|
1.0
|
C22
|
B:GIH202
|
1.3
|
30.0
|
1.0
|
C24
|
B:GIH202
|
2.2
|
30.0
|
1.0
|
C21
|
B:GIH202
|
2.3
|
30.0
|
1.0
|
H241
|
B:GIH202
|
2.4
|
30.0
|
1.0
|
H211
|
B:GIH202
|
2.5
|
30.0
|
1.0
|
NE2
|
B:GLN106
|
3.3
|
24.4
|
1.0
|
CE
|
B:MET131
|
3.3
|
39.9
|
1.0
|
H071
|
B:GIH202
|
3.4
|
30.0
|
1.0
|
N20
|
B:GIH202
|
3.4
|
30.0
|
1.0
|
C25
|
B:GIH202
|
3.5
|
30.0
|
1.0
|
H061
|
B:GIH202
|
3.5
|
30.0
|
1.0
|
CD
|
B:GLN106
|
3.6
|
38.2
|
1.0
|
H111
|
B:GIH202
|
3.8
|
30.0
|
1.0
|
C19
|
B:GIH202
|
3.9
|
30.0
|
1.0
|
ND1
|
B:HIS57
|
3.9
|
34.0
|
1.0
|
CG
|
B:GLN106
|
4.0
|
41.5
|
1.0
|
CE1
|
B:PHE104
|
4.0
|
25.0
|
1.0
|
O
|
B:PHE104
|
4.0
|
24.9
|
1.0
|
CE1
|
B:HIS57
|
4.0
|
31.0
|
1.0
|
CD1
|
B:PHE104
|
4.1
|
26.1
|
1.0
|
SD
|
B:MET131
|
4.1
|
52.1
|
1.0
|
OE1
|
B:GLN106
|
4.2
|
30.1
|
1.0
|
C07
|
B:GIH202
|
4.2
|
30.0
|
1.0
|
C06
|
B:GIH202
|
4.2
|
30.0
|
1.0
|
CG
|
B:MET131
|
4.5
|
35.5
|
1.0
|
CZ
|
B:PHE104
|
4.5
|
29.7
|
1.0
|
O03
|
B:GIH202
|
4.6
|
30.0
|
1.0
|
H062
|
B:GIH202
|
4.6
|
30.0
|
1.0
|
C11
|
B:GIH202
|
4.7
|
30.0
|
1.0
|
N14
|
B:GIH202
|
4.7
|
30.0
|
1.0
|
C16
|
B:GIH202
|
4.7
|
30.0
|
1.0
|
CG
|
B:PHE104
|
4.7
|
25.2
|
1.0
|
H072
|
B:GIH202
|
4.8
|
30.0
|
1.0
|
CG
|
B:HIS57
|
4.9
|
38.1
|
1.0
|
C
|
B:PHE104
|
4.9
|
25.1
|
1.0
|
C08
|
B:GIH202
|
4.9
|
30.0
|
1.0
|
CA
|
B:PHE104
|
5.0
|
26.6
|
1.0
|
|
Fluorine binding site 3 out
of 4 in 7xme
Go back to
Fluorine Binding Sites List in 7xme
Fluorine binding site 3 out
of 4 in the Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F202
b:30.0
occ:1.00
|
F23
|
C:GIH202
|
0.0
|
30.0
|
1.0
|
C22
|
C:GIH202
|
1.3
|
30.0
|
1.0
|
C21
|
C:GIH202
|
2.3
|
30.0
|
1.0
|
C24
|
C:GIH202
|
2.3
|
30.0
|
1.0
|
H211
|
C:GIH202
|
2.5
|
30.0
|
1.0
|
H241
|
C:GIH202
|
2.5
|
30.0
|
1.0
|
H071
|
C:GIH202
|
2.6
|
30.0
|
1.0
|
CE
|
C:MET131
|
3.3
|
26.6
|
1.0
|
N20
|
C:GIH202
|
3.5
|
30.0
|
1.0
|
C25
|
C:GIH202
|
3.5
|
30.0
|
1.0
|
C07
|
C:GIH202
|
3.6
|
30.0
|
1.0
|
CE1
|
C:PHE104
|
3.6
|
26.3
|
1.0
|
NE2
|
C:GLN106
|
3.6
|
59.8
|
1.0
|
CD1
|
C:PHE104
|
3.7
|
26.5
|
1.0
|
SD
|
C:MET131
|
3.9
|
26.5
|
1.0
|
H061
|
C:GIH202
|
3.9
|
30.0
|
1.0
|
C19
|
C:GIH202
|
3.9
|
30.0
|
1.0
|
H072
|
C:GIH202
|
4.0
|
30.0
|
1.0
|
CG
|
C:MET131
|
4.1
|
32.5
|
1.0
|
CD
|
C:GLN106
|
4.1
|
58.1
|
1.0
|
H081
|
C:GIH202
|
4.1
|
30.0
|
1.0
|
O
|
C:PHE104
|
4.1
|
30.5
|
1.0
|
H111
|
C:GIH202
|
4.1
|
30.0
|
1.0
|
O
|
C:HOH303
|
4.2
|
44.2
|
1.0
|
C08
|
C:GIH202
|
4.3
|
30.0
|
1.0
|
C06
|
C:GIH202
|
4.3
|
30.0
|
1.0
|
CZ
|
C:PHE104
|
4.3
|
34.1
|
1.0
|
CG
|
C:GLN106
|
4.4
|
37.7
|
1.0
|
CG
|
C:PHE104
|
4.5
|
41.8
|
1.0
|
CD2
|
C:HIS57
|
4.6
|
37.4
|
1.0
|
H062
|
C:GIH202
|
4.6
|
30.0
|
1.0
|
C11
|
C:GIH202
|
4.7
|
30.0
|
1.0
|
OE1
|
C:GLN106
|
4.7
|
69.0
|
1.0
|
CA
|
C:PHE104
|
4.8
|
27.0
|
1.0
|
C16
|
C:GIH202
|
4.8
|
30.0
|
1.0
|
C
|
C:PHE104
|
4.9
|
27.0
|
1.0
|
N14
|
C:GIH202
|
4.9
|
30.0
|
1.0
|
|
Fluorine binding site 4 out
of 4 in 7xme
Go back to
Fluorine Binding Sites List in 7xme
Fluorine binding site 4 out
of 4 in the Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Structure of Influenza A Virus Polymerase Basic Protein 2 (PB2) with An Azazindole Derivative within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F202
b:30.0
occ:1.00
|
F23
|
D:GIH202
|
0.0
|
30.0
|
1.0
|
C22
|
D:GIH202
|
1.3
|
30.0
|
1.0
|
C21
|
D:GIH202
|
2.3
|
30.0
|
1.0
|
C24
|
D:GIH202
|
2.3
|
30.0
|
1.0
|
H211
|
D:GIH202
|
2.5
|
30.0
|
1.0
|
H241
|
D:GIH202
|
2.5
|
30.0
|
1.0
|
H071
|
D:GIH202
|
2.9
|
30.0
|
1.0
|
NE2
|
D:GLN106
|
3.1
|
33.5
|
1.0
|
CE
|
D:MET131
|
3.4
|
31.2
|
1.0
|
N20
|
D:GIH202
|
3.5
|
30.0
|
1.0
|
C25
|
D:GIH202
|
3.6
|
30.0
|
1.0
|
CD
|
D:GLN106
|
3.7
|
32.7
|
1.0
|
C07
|
D:GIH202
|
3.7
|
30.0
|
1.0
|
H072
|
D:GIH202
|
3.7
|
30.0
|
1.0
|
CD1
|
D:PHE104
|
3.8
|
30.0
|
1.0
|
CE1
|
D:PHE104
|
3.8
|
40.2
|
1.0
|
SD
|
D:MET131
|
3.9
|
43.7
|
1.0
|
C19
|
D:GIH202
|
4.0
|
30.0
|
1.0
|
O
|
D:PHE104
|
4.0
|
31.8
|
1.0
|
CG
|
D:GLN106
|
4.0
|
31.4
|
1.0
|
CG
|
D:MET131
|
4.1
|
43.5
|
1.0
|
O03
|
D:GIH202
|
4.2
|
30.0
|
1.0
|
ND1
|
D:HIS57
|
4.2
|
51.2
|
1.0
|
H081
|
D:GIH202
|
4.3
|
30.0
|
1.0
|
H111
|
D:GIH202
|
4.4
|
30.0
|
1.0
|
OE1
|
D:GLN106
|
4.4
|
36.3
|
1.0
|
H061
|
D:GIH202
|
4.4
|
30.0
|
1.0
|
C08
|
D:GIH202
|
4.5
|
30.0
|
1.0
|
CG
|
D:PHE104
|
4.6
|
29.9
|
1.0
|
CE1
|
D:HIS57
|
4.7
|
40.1
|
1.0
|
CZ
|
D:PHE104
|
4.7
|
42.4
|
1.0
|
C06
|
D:GIH202
|
4.7
|
30.0
|
1.0
|
CA
|
D:PHE104
|
4.7
|
30.3
|
1.0
|
C
|
D:PHE104
|
4.8
|
33.0
|
1.0
|
C16
|
D:GIH202
|
4.9
|
30.0
|
1.0
|
C11
|
D:GIH202
|
5.0
|
30.0
|
1.0
|
|
Reference:
Z.Zhang,
X.Liu.
Discovery of A Novel Azaindole Derivatives Targeting the Influenza PB2 Cap Binding Region To Be Published.
Page generated: Fri Aug 2 15:27:19 2024
|