Fluorine in PDB 5uop: Crystal Structure of the Prototype Foamy Virus Intasome with A 2- Pyridinone Aminal Inhibitor (Compound 18)

The structure of Crystal Structure of the Prototype Foamy Virus Intasome with A 2- Pyridinone Aminal Inhibitor (Compound 18), PDB code: 5uop was solved by D.J.Klein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.78 / 2.85
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	158.818, 158.818, 123.797, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 20.3

The structure of Crystal Structure of the Prototype Foamy Virus Intasome with A 2- Pyridinone Aminal Inhibitor (Compound 18) also contains other interesting chemical elements:

Magnesium	(Mg)	3 atoms
Zinc	(Zn)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Fluorine atom in the Crystal Structure of the Prototype Foamy Virus Intasome with A 2- Pyridinone Aminal Inhibitor (Compound 18) (pdb code 5uop). 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 Prototype Foamy Virus Intasome with A 2- Pyridinone Aminal Inhibitor (Compound 18), PDB code: 5uop:

Fluorine binding site 1 out of 1 in the Crystal Structure of the Prototype Foamy Virus Intasome with A 2- Pyridinone Aminal Inhibitor (Compound 18)


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 Prototype Foamy Virus Intasome with A 2- Pyridinone Aminal Inhibitor (Compound 18) within 5.0Å range: probe atom residue distance (Å) B Occ A:F409 b:58.2 occ:1.00 F A:8G4409 0.0 58.2 1.0 C25 A:8G4409 1.4 54.2 1.0 C24 A:8G4409 2.3 51.3 1.0 C26 A:8G4409 2.4 54.7 1.0 CL A:8G4409 2.9 63.2 1.0 N4 D:DC16 3.1 57.7 1.0 C4 D:DC16 3.5 58.2 1.0 CG A:GLN215 3.6 62.9 1.0 C23 A:8G4409 3.6 50.8 1.0 C27 A:8G4409 3.6 51.0 1.0 O6 C:DG4 3.6 58.7 1.0 CD A:GLN215 3.7 65.4 1.0 OE1 A:GLN215 3.7 65.5 1.0 C6 C:DG4 3.8 58.5 1.0 N1 C:DG4 3.9 58.5 1.0 N3 D:DC16 3.9 58.3 1.0 C5 D:DC16 4.0 58.7 1.0 C22 A:8G4409 4.1 52.1 1.0 CG A:PRO214 4.4 60.1 1.0 NE2 A:GLN215 4.4 71.6 1.0 N A:GLN215 4.6 59.2 1.0 C5 C:DG4 4.7 57.8 1.0 C2 C:DG4 4.8 58.4 1.0 CB A:GLN215 4.8 60.3 1.0 CA A:GLN215 4.8 59.9 1.0 C2 D:DC16 4.8 59.1 1.0 C6 D:DC16 4.9 58.9 1.0 CB A:PRO214 5.0 61.6 1.0

J.D.Schreier, M.W.Embrey, I.T.Raheem, G.Barbe, L.C.Campeau, D.Dubost, J.Mccabe Dunn, J.Grobler, T.J.Hartingh, D.J.Hazuda, D.Klein, M.D.Miller, K.P.Moore, N.Nguyen, N.Pajkovic, D.A.Powell, V.Rada, J.M.Sanders, J.Sisko, T.G.Steele, J.Wai, A.Walji, M.Xu, P.J.Coleman. Discovery and Optimization of 2-Pyridinone Aminal Integrase Strand Transfer Inhibitors For the Treatment of Hiv. Bioorg. Med. Chem. Lett. V. 27 2038 2017.
ISSN: ESSN 1464-3405
PubMed: 28285916
DOI: 10.1016/J.BMCL.2017.02.039