Fluorine in PDB 4ojr: Crystal Structure of the Hiv-1 Integrase Catalytic Domain with GSK1264

The structure of Crystal Structure of the Hiv-1 Integrase Catalytic Domain with GSK1264, PDB code: 4ojr was solved by K.Gupta, T.Brady, B.Dyer, Y.Hwang, F.Male, R.T.Nolte, L.Wang, E.Velthuisen, J.Jeffrey, G.Van Duyne, F.D.Bushman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.37 / 1.82
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	72.664, 72.664, 65.453, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 20.1

The structure of Crystal Structure of the Hiv-1 Integrase Catalytic Domain with GSK1264 also contains other interesting chemical elements:

Arsenic

(As)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of the Hiv-1 Integrase Catalytic Domain with GSK1264 (pdb code 4ojr). 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 Hiv-1 Integrase Catalytic Domain with GSK1264, PDB code: 4ojr:

Fluorine binding site 1 out of 1 in the Crystal Structure of the Hiv-1 Integrase Catalytic Domain with GSK1264


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 Hiv-1 Integrase Catalytic Domain with GSK1264 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:42.7 occ:1.00 F19 A:2SQ301 0.0 42.7 1.0 C18 A:2SQ301 1.4 42.5 1.0 C20 A:2SQ301 2.3 44.4 1.0 C17 A:2SQ301 2.5 43.6 1.0 O16 A:2SQ301 2.7 43.4 1.0 C06 A:2SQ301 3.7 47.1 1.0 C22 A:2SQ301 3.7 47.2 1.0 C13 A:2SQ301 4.1 44.6 1.0 C05 A:2SQ301 4.2 47.1 1.0 C29 A:2SQ301 4.2 45.4 1.0 C23 A:2SQ301 4.9 49.8 1.0 C07 A:2SQ301 4.9 47.0 1.0

K.Gupta, T.Brady, B.M.Dyer, N.Malani, Y.Hwang, F.Male, R.T.Nolte, L.Wang, E.Velthuisen, J.Jeffrey, G.D.Van Duyne, F.D.Bushman. Allosteric Inhibition of Human Immunodeficiency Virus Integrase: Late Block During Viral Replication and Abnormal Multimerization Involving Specific Protein Domains. J.Biol.Chem. V. 289 20477 2014.
ISSN: ISSN 0021-9258
PubMed: 24904063
DOI: 10.1074/JBC.M114.551119