Fluorine in PDB 4e1n: Crystal Structure of Hiv-1 Integrase with A Non-Catayltic Site Inhibitor

The structure of Crystal Structure of Hiv-1 Integrase with A Non-Catayltic Site Inhibitor, PDB code: 4e1n was solved by E.B.Lansdon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.37 / 2.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	71.712, 71.712, 64.800, 90.00, 90.00, 120.00
R / Rfree (%)	24 / 26.5

The structure of Crystal Structure of Hiv-1 Integrase with A Non-Catayltic Site Inhibitor also contains other interesting chemical elements:

Arsenic

(As)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of Hiv-1 Integrase with A Non-Catayltic Site Inhibitor (pdb code 4e1n). 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 Hiv-1 Integrase with A Non-Catayltic Site Inhibitor, PDB code: 4e1n:

Fluorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 Integrase with A Non-Catayltic Site Inhibitor


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 Hiv-1 Integrase with A Non-Catayltic Site Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:49.6 occ:1.00 F29 A:TQX301 0.0 49.6 1.0 C16 A:TQX301 1.3 50.5 1.0 C15 A:TQX301 2.3 52.5 1.0 C17 A:TQX301 2.4 48.5 1.0 O20 A:TQX301 2.7 48.0 1.0 C12 A:TQX301 3.6 55.0 1.0 C18 A:TQX301 3.6 50.2 1.0 C21 A:TQX301 4.1 49.1 1.0 C19 A:TQX301 4.1 54.0 1.0 C28 A:TQX301 4.2 49.2 1.0 C10 A:TQX301 4.8 55.5 1.0 C23 A:TQX301 4.9 51.8 1.0

M.Tsiang, G.S.Jones, A.Niedziela-Majka, E.Kan, E.B.Lansdon, W.Huang, M.Hung, D.Samuel, N.Novikov, Y.Xu, M.Mitchell, H.Guo, K.Babaoglu, X.Liu, R.Geleziunas, R.Sakowicz. New Class of Hiv-1 Integrase (in) Inhibitors with A Dual Mode of Action. J.Biol.Chem. V. 287 21189 2012.
ISSN: ISSN 0021-9258
PubMed: 22535962
DOI: 10.1074/JBC.M112.347534