Fluorine in PDB 5wa6: Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with An Inhibitor - Sri-30007

The structure of Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with An Inhibitor - Sri-30007, PDB code: 5wa6 was solved by G.Kumar, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.80 / 2.25
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	90.563, 90.563, 135.167, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 25.4

The structure of Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with An Inhibitor - Sri-30007 also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with An Inhibitor - Sri-30007 (pdb code 5wa6). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with An Inhibitor - Sri-30007, PDB code: 5wa6:

Fluorine binding site 1 out of 1 in the Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with An Inhibitor - Sri-30007


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 Influenza Virus Pa Endonuclease in Complex with An Inhibitor - Sri-30007 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:0.0 occ:1.00 F1 A:KU7203 0.0 0.0 1.0 C16 A:KU7203 1.3 1.0 1.0 C17 A:KU7203 2.3 0.7 1.0 C15 A:KU7203 2.4 0.6 1.0 O5 A:KU7203 2.7 0.9 1.0 CD1 A:ILE38 3.2 93.7 1.0 C2 A:KU7203 3.3 74.6 1.0 C3 A:KU7203 3.3 70.4 1.0 OE1 A:GLU80 3.4 96.6 1.0 N1 A:KU7203 3.6 82.0 1.0 C18 A:KU7203 3.6 0.4 1.0 C14 A:KU7203 3.6 0.2 1.0 C4 A:KU7203 3.7 74.6 1.0 C5 A:KU7203 3.8 80.1 1.0 O1 A:KU7203 3.8 68.5 1.0 C1 A:KU7203 3.9 86.9 1.0 N2 A:KU7203 4.0 73.8 1.0 C19 A:KU7203 4.1 0.4 1.0 C13 A:KU7203 4.1 0.8 1.0 ND1 A:HIS41 4.2 72.3 1.0 O3 A:KU7203 4.2 72.8 1.0 N3 A:KU7203 4.3 88.5 1.0 CE1 A:HIS41 4.3 74.1 1.0 O2 A:KU7203 4.4 70.9 1.0 CD A:GLU80 4.6 91.1 1.0 CG A:HIS41 4.6 75.2 1.0 CG1 A:ILE38 4.7 78.7 1.0 MN A:MN202 4.7 83.3 1.0 NE2 A:HIS41 4.8 76.7 1.0 C12 A:KU7203 4.8 0.7 1.0 C10 A:KU7203 4.9 97.5 1.0 CD2 A:HIS41 4.9 74.3 1.0 C24 A:KU7203 5.0 0.1 1.0

D.Beylkin, G.Kumar, W.Zhou, J.Park, T.Jeevan, C.Lagisetti, R.Harfoot, R.J.Webby, S.W.White, T.R.Webb. Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep V. 7 17139 2017.
ISSN: ESSN 2045-2322
PubMed: 29215062
DOI: 10.1038/S41598-017-17419-6