Fluorine in PDB 4ncm: Influenza Polymerase Basic Protein 2 (PB2) Bound to A Small-Molecule Inhibitor

The structure of Influenza Polymerase Basic Protein 2 (PB2) Bound to A Small-Molecule Inhibitor, PDB code: 4ncm was solved by M.D.Jacobs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.05 / 2.82
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	82.100, 82.100, 54.360, 90.00, 90.00, 120.00
R / Rfree (%)	17 / 19.1

The structure of Influenza Polymerase Basic Protein 2 (PB2) Bound to A Small-Molecule Inhibitor also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Influenza Polymerase Basic Protein 2 (PB2) Bound to A Small-Molecule Inhibitor (pdb code 4ncm). 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 Influenza Polymerase Basic Protein 2 (PB2) Bound to A Small-Molecule Inhibitor, PDB code: 4ncm:

Fluorine binding site 1 out of 1 in the Influenza Polymerase Basic Protein 2 (PB2) Bound to A Small-Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Influenza Polymerase Basic Protein 2 (PB2) Bound to A Small-Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:54.8 occ:1.00 F27 A:704501 0.0 54.8 1.0 C11 A:704501 1.3 47.4 1.0 C10 A:704501 2.4 46.3 1.0 C12 A:704501 2.4 44.3 1.0 N9 A:704501 2.7 46.9 1.0 N15 A:704501 3.6 45.0 1.0 N13 A:704501 3.6 43.8 1.0 CB A:PHE323 3.6 41.3 1.0 CG A:PHE323 3.8 39.9 1.0 CD2 A:PHE323 3.9 39.2 1.0 C14 A:704501 4.0 41.9 1.0 C2 A:704501 4.1 48.6 1.0 OG A:SER321 4.3 84.8 1.0 CD1 A:PHE323 4.5 40.4 1.0 C1 A:704501 4.7 46.5 1.0 O5 A:704501 4.8 53.6 1.0 CE2 A:PHE323 4.8 41.4 1.0 C4 A:704501 5.0 54.4 1.0

M.P.Clark, M.W.Ledeboer, I.Davies, R.A.Byrn, S.M.Jones, E.Perola, A.Tsai, M.Jacobs, K.Nti-Addae, U.K.Bandarage, M.J.Boyd, R.S.Bethiel, J.J.Court, H.Deng, J.P.Duffy, W.A.Dorsch, L.J.Farmer, H.Gao, W.Gu, K.Jackson, D.H.Jacobs, J.M.Kennedy, B.Ledford, J.Liang, F.Maltais, M.Murcko, T.Wang, M.W.Wannamaker, H.B.Bennett, J.R.Leeman, C.Mcneil, W.P.Taylor, C.Memmott, M.Jiang, R.Rijnbrand, C.Bral, U.Germann, A.Nezami, Y.Zhang, F.G.Salituro, Y.L.Bennani, P.S.Charifson. Discovery of A Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (Vx-787) of Influenza PB2. J.Med.Chem. V. 57 6668 2014.
ISSN: ISSN 0022-2623
PubMed: 25019388
DOI: 10.1021/JM5007275