Fluorine in PDB 6eux: Structure of the Midlink and Cap-Binding Domains of Influenza B Polymerase PB2 Subunit with A Bound Azaindazole Cap-Binding Inhibitor

The structure of Structure of the Midlink and Cap-Binding Domains of Influenza B Polymerase PB2 Subunit with A Bound Azaindazole Cap-Binding Inhibitor, PDB code: 6eux was solved by S.Cusack, S.Gaudon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.14 / 2.05
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.200, 73.200, 103.740, 90.00, 90.00, 120.00
R / Rfree (%)	22.9 / 25.4

The binding sites of Fluorine atom in the Structure of the Midlink and Cap-Binding Domains of Influenza B Polymerase PB2 Subunit with A Bound Azaindazole Cap-Binding Inhibitor (pdb code 6eux). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structure of the Midlink and Cap-Binding Domains of Influenza B Polymerase PB2 Subunit with A Bound Azaindazole Cap-Binding Inhibitor, PDB code: 6eux:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Structure of the Midlink and Cap-Binding Domains of Influenza B Polymerase PB2 Subunit with A Bound Azaindazole Cap-Binding Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the Midlink and Cap-Binding Domains of Influenza B Polymerase PB2 Subunit with A Bound Azaindazole Cap-Binding Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:31.6 occ:1.00 F23 A:BYB601 0.0 31.6 1.0 C1 A:BYB601 1.4 29.6 1.0 C4 A:BYB601 2.4 28.6 1.0 C2 A:BYB601 2.4 29.2 1.0 O A:PHE406 3.3 24.1 1.0 N3 A:BYB601 3.6 29.6 1.0 C5 A:BYB601 3.6 29.7 1.0 CE A:MET433 3.8 30.9 1.0 CD1 A:TRP359 3.8 27.5 1.0 CD1 A:PHE406 3.8 25.7 1.0 CE1 A:PHE406 3.9 25.3 1.0 NE2 A:GLN408 3.9 24.1 1.0 CD A:GLN408 4.0 24.0 1.0 C28 A:BYB601 4.0 38.9 1.0 NE1 A:TRP359 4.1 28.1 1.0 C6 A:BYB601 4.1 29.4 1.0 CG A:GLN408 4.1 24.0 1.0 C A:PHE406 4.2 24.6 1.0 CG A:PHE406 4.3 25.2 1.0 CA A:PHE406 4.4 25.1 1.0 O A:HOH710 4.4 43.6 1.0 CZ A:PHE406 4.4 25.3 1.0 OE1 A:GLN408 4.4 23.7 1.0 CG A:TRP359 4.7 27.0 1.0 CD2 A:PHE406 4.7 25.1 1.0 CE2 A:PHE406 4.8 25.6 1.0 SD A:MET433 4.8 30.8 1.0 O27 A:BYB601 4.8 42.8 1.0 C29 A:BYB601 4.9 39.2 1.0 C18 A:BYB601 4.9 38.9 1.0 CB A:PHE406 4.9 25.3 1.0

Fluorine binding site 2 out of 2 in the Structure of the Midlink and Cap-Binding Domains of Influenza B Polymerase PB2 Subunit with A Bound Azaindazole Cap-Binding Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of the Midlink and Cap-Binding Domains of Influenza B Polymerase PB2 Subunit with A Bound Azaindazole Cap-Binding Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:38.0 occ:1.00 F24 A:BYB601 0.0 38.0 1.0 C13 A:BYB601 1.4 36.7 1.0 C12 A:BYB601 2.4 35.9 1.0 C14 A:BYB601 2.4 35.8 1.0 N16 A:BYB601 2.8 36.2 1.0 O A:VAL512 3.0 78.4 1.0 OE1 A:GLN325 3.2 54.1 1.0 CB A:GLU511 3.4 96.2 1.0 N11 A:BYB601 3.6 34.8 1.0 N15 A:BYB601 3.6 34.4 1.0 CD A:GLN325 3.8 52.2 1.0 NE2 A:GLN325 3.8 51.1 1.0 N A:VAL512 3.9 88.0 1.0 C A:VAL512 4.0 80.3 1.0 C A:GLU511 4.0 93.1 1.0 C10 A:BYB601 4.1 33.9 1.0 CG A:GLU511 4.1 97.1 1.0 CA A:GLU511 4.1 95.6 1.0 OE1 A:GLU511 4.2 0.0 1.0 C17 A:BYB601 4.2 38.5 1.0 CD A:GLU511 4.2 98.2 1.0 CA A:VAL512 4.5 85.2 1.0 O A:GLU511 4.6 94.1 1.0 CH2 A:TRP359 4.8 27.1 1.0 CZ2 A:TRP359 4.9 28.0 1.0 CG2 A:VAL512 4.9 87.0 1.0 OE2 A:GLU511 5.0 96.8 1.0 C22 A:BYB601 5.0 39.6 1.0 N A:ILE513 5.0 76.6 1.0

A.Pflug, S.Gaudon, P.Resa-Infante, M.Lethier, S.Reich, W.M.Schulze, S.Cusack. Capped Rna Primer Binding to Influenza Polymerase and Implications For the Mechanism of Cap-Binding Inhibitors. Nucleic Acids Res. V. 46 956 2018.
ISSN: ESSN 1362-4962
PubMed: 29202182
DOI: 10.1093/NAR/GKX1210