Chlorine in PDB 7as1: Influenza A PB2 (F404Y Mutation) in Complex with Vx-787

The structure of Influenza A PB2 (F404Y Mutation) in Complex with Vx-787, PDB code: 7as1 was solved by K.Radilova, J.Brynda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.93 / 1.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	29.5, 37.25, 38.39, 71.89, 69.8, 75.17
R / Rfree (%)	15 / 18.5

The structure of Influenza A PB2 (F404Y Mutation) in Complex with Vx-787 also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Chlorine atom in the Influenza A PB2 (F404Y Mutation) in Complex with Vx-787 (pdb code 7as1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Influenza A PB2 (F404Y Mutation) in Complex with Vx-787, PDB code: 7as1:

Chlorine binding site 1 out of 1 in the Influenza A PB2 (F404Y Mutation) in Complex with Vx-787


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Influenza A PB2 (F404Y Mutation) in Complex with Vx-787 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:27.9 occ:1.00 O A:HOH830 3.4 30.5 1.0 NH2 A:ARG436 3.5 21.5 1.0 N A:ASN429 3.6 21.6 1.0 CB A:HIS432 3.7 13.7 1.0 NH1 A:ARG436 3.8 22.5 1.0 CB A:ASN429 4.0 18.3 0.5 CB A:ASN429 4.0 17.7 0.5 CB A:LEU428 4.1 30.1 1.0 CZ A:ARG436 4.1 19.3 1.0 CD2 A:LEU428 4.1 33.1 1.0 CG A:HIS432 4.2 15.9 1.0 CA A:LEU428 4.3 26.8 1.0 CA A:ASN429 4.4 19.0 0.5 CA A:ASN429 4.4 19.3 0.5 C A:LEU428 4.5 23.1 1.0 O A:ASN429 4.5 17.0 1.0 CD2 A:HIS432 4.6 16.0 1.0 CG A:LEU428 4.6 29.2 1.0

J.Gregor, K.Radilova, J.Brynda, J.Fanfrlik, J.Konvalinka, M.Kozisek. Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (Vx-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase Molecules 2021.
ISSN: ESSN 1420-3049
DOI: 10.3390/MOLECULES26041007