Fluorine in PDB 6euw: Crystal Structure of the Cap-Binding Domain of the PB2 Subunit of Influenza A/H5N1 Polymerase Bound to An Azaindazole Inhibitor

The structure of Crystal Structure of the Cap-Binding Domain of the PB2 Subunit of Influenza A/H5N1 Polymerase Bound to An Azaindazole Inhibitor, PDB code: 6euw 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)	54.12 / 1.00
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	62.490, 62.490, 69.970, 90.00, 90.00, 120.00
R / Rfree (%)	13.9 / 16.4

The binding sites of Fluorine atom in the Crystal Structure of the Cap-Binding Domain of the PB2 Subunit of Influenza A/H5N1 Polymerase Bound to An Azaindazole Inhibitor (pdb code 6euw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the Cap-Binding Domain of the PB2 Subunit of Influenza A/H5N1 Polymerase Bound to An Azaindazole Inhibitor, PDB code: 6euw:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of the Cap-Binding Domain of the PB2 Subunit of Influenza A/H5N1 Polymerase Bound to An Azaindazole Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Cap-Binding Domain of the PB2 Subunit of Influenza A/H5N1 Polymerase Bound to An Azaindazole Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:16.1 occ:1.00 F23 A:BYB501 0.0 16.1 1.0 C1 A:BYB501 1.3 14.1 1.0 C2 A:BYB501 2.3 13.8 1.0 C4 A:BYB501 2.4 13.7 1.0 NE2 A:GLN406 3.2 13.0 1.0 CE A:MET427 3.3 14.9 1.0 CD A:GLN406 3.5 11.5 1.0 O A:PHE404 3.5 11.2 1.0 N3 A:BYB501 3.6 13.4 1.0 C5 A:BYB501 3.6 13.4 1.0 O A:HOH681 3.6 24.4 1.0 CG A:GLN406 3.7 11.4 1.0 C6 A:BYB501 4.0 13.0 1.0 CD1 A:PHE404 4.0 11.4 1.0 OE1 A:GLN406 4.1 12.9 1.0 C28 A:BYB501 4.1 19.3 1.0 SD A:MET427 4.1 14.5 1.0 CE1 A:PHE404 4.2 12.6 1.0 CG A:MET427 4.4 15.0 1.0 C A:PHE404 4.4 10.2 1.0 CA A:PHE404 4.5 9.9 1.0 CD2 A:HIS357 4.5 17.7 1.0 CG A:PHE404 4.6 10.5 1.0 C29 A:BYB501 4.9 21.0 1.0 CZ A:PHE404 4.9 13.1 1.0 O A:ARG355 4.9 17.7 0.6 O A:ARG355 5.0 17.9 0.4 C9 A:BYB501 5.0 13.5 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of the Cap-Binding Domain of the PB2 Subunit of Influenza A/H5N1 Polymerase Bound to An Azaindazole Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Cap-Binding Domain of the PB2 Subunit of Influenza A/H5N1 Polymerase Bound to An Azaindazole Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:22.8 occ:1.00 F24 A:BYB501 0.0 22.8 1.0 C13 A:BYB501 1.3 18.9 1.0 C14 A:BYB501 2.3 18.0 1.0 C12 A:BYB501 2.4 16.4 1.0 N16 A:BYB501 2.8 17.9 1.0 O A:HOH645 3.2 60.6 1.0 O A:HOH711 3.3 39.8 1.0 CB A:SER320 3.5 23.8 0.5 N15 A:BYB501 3.6 16.4 1.0 N11 A:BYB501 3.6 14.7 1.0 CB A:SER320 3.6 29.1 0.5 CD2 A:PHE323 3.7 19.4 1.0 OG A:SER320 3.7 27.9 0.5 O A:HOH721 3.7 43.5 1.0 CG A:PHE323 3.8 17.4 1.0 CB A:PHE323 3.8 18.0 1.0 C10 A:BYB501 4.0 14.5 1.0 C17 A:BYB501 4.2 17.3 1.0 CE2 A:PHE323 4.4 18.8 1.0 OG A:SER320 4.4 33.5 0.5 O A:SER320 4.4 21.1 0.5 N A:SER320 4.4 26.4 0.5 N A:SER320 4.4 27.3 0.5 O A:SER320 4.5 21.5 0.5 CA A:SER320 4.5 24.3 0.5 CA A:SER320 4.5 25.8 0.5 CD1 A:PHE323 4.5 17.3 1.0 C A:SER320 4.8 21.5 0.5 C A:SER320 4.8 21.3 0.5 C18 A:BYB501 4.9 17.7 1.0 C22 A:BYB501 5.0 19.1 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