Fluorine in PDB 4kil: 7-(4-Fluorophenyl)-3-Hydroxyquinolin-2(1H)-One Bound to Influenza 2009 H1N1 Endonuclease

The structure of 7-(4-Fluorophenyl)-3-Hydroxyquinolin-2(1H)-One Bound to Influenza 2009 H1N1 Endonuclease, PDB code: 4kil was solved by J.D.Bauman, D.Patel, K.Das, E.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.17 / 1.75
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	88.699, 100.868, 66.441, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 19.6

The structure of 7-(4-Fluorophenyl)-3-Hydroxyquinolin-2(1H)-One Bound to Influenza 2009 H1N1 Endonuclease also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Fluorine atom in the 7-(4-Fluorophenyl)-3-Hydroxyquinolin-2(1H)-One Bound to Influenza 2009 H1N1 Endonuclease (pdb code 4kil). 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 7-(4-Fluorophenyl)-3-Hydroxyquinolin-2(1H)-One Bound to Influenza 2009 H1N1 Endonuclease, PDB code: 4kil:

Fluorine binding site 1 out of 1 in the 7-(4-Fluorophenyl)-3-Hydroxyquinolin-2(1H)-One Bound to Influenza 2009 H1N1 Endonuclease


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of 7-(4-Fluorophenyl)-3-Hydroxyquinolin-2(1H)-One Bound to Influenza 2009 H1N1 Endonuclease within 5.0Å range: probe atom residue distance (Å) B Occ A:F305 b:40.1 occ:1.00 F A:1R5305 0.0 40.1 1.0 C10 A:1R5305 1.3 38.1 1.0 C11 A:1R5305 2.3 37.9 1.0 C9 A:1R5305 2.4 37.2 1.0 HA A:MET21 2.4 49.0 1.0 HB2 A:TYR24 2.5 67.3 1.0 HG3 A:GLU26 3.1 78.1 1.0 HG2 A:MET21 3.2 44.3 1.0 HB2 A:GLU26 3.2 65.8 1.0 CA A:MET21 3.4 40.8 1.0 CB A:TYR24 3.4 56.1 1.0 HD2 A:TYR24 3.5 74.5 1.0 C12 A:1R5305 3.6 38.6 1.0 C8 A:1R5305 3.6 38.2 1.0 HB3 A:TYR24 3.7 67.3 1.0 CG A:GLU26 3.7 65.0 1.0 O A:MET21 3.8 46.4 1.0 O A:ALA20 3.8 42.5 1.0 CB A:GLU26 3.9 54.8 1.0 CD A:GLU26 3.9 73.6 1.0 CG A:MET21 4.0 36.9 1.0 C A:MET21 4.1 44.2 1.0 CD2 A:TYR24 4.1 62.1 1.0 H A:TYR24 4.1 60.2 1.0 HD11 A:ILE38 4.1 42.9 1.0 C7 A:1R5305 4.1 38.9 1.0 N A:MET21 4.1 39.4 1.0 CG A:TYR24 4.1 62.8 1.0 CB A:MET21 4.1 39.4 1.0 OE1 A:GLU26 4.2 74.7 1.0 HB3 A:MET21 4.2 47.3 1.0 C A:ALA20 4.2 41.4 1.0 H A:GLU26 4.3 61.3 1.0 HD13 A:ILE38 4.3 42.9 1.0 HG3 A:MET21 4.4 44.3 1.0 CA A:TYR24 4.4 54.2 1.0 HE1 A:MET21 4.5 45.4 1.0 OE2 A:GLU26 4.5 79.4 1.0 HB3 A:GLU26 4.5 65.8 1.0 HD3 A:LYS34 4.6 61.0 1.0 HG2 A:GLU26 4.6 78.1 1.0 CD1 A:ILE38 4.6 35.8 1.0 N A:TYR24 4.7 50.2 1.0 H A:MET21 4.7 47.3 1.0 C A:TYR24 4.7 56.6 1.0 N A:GLU26 4.8 51.1 1.0 HE3 A:MET21 4.8 45.4 1.0 HD2 A:LYS34 5.0 61.0 1.0 CA A:GLU26 5.0 52.3 1.0 O A:TYR24 5.0 60.5 1.0

H.Y.Sagong, A.Parhi, J.D.Bauman, D.Patel, R.S.Vijayan, K.Das, E.Arnold, E.J.Lavoie. 3-Hydroxyquinolin-2(1H)-Ones As Inhibitors of Influenza A Endonuclease. Acs Med Chem Lett V. 4 547 2013.
ISSN: ISSN 1948-5875
PubMed: 24936242
DOI: 10.1021/ML4001112