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:

Iodine (I) 4 atoms

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

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