Fluorine in PDB 6ogq: X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P30) in Complex with Grl-003

The structure of X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P30) in Complex with Grl-003, PDB code: 6ogq was solved by H.Bulut, S.I.Hattori, H.Aoki-Ogata, H.Hayashi, M.Aoki, A.K.Ghosh, H.Mitsuya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.36 / 1.41
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	62.823, 62.823, 82.154, 90.00, 90.00, 120.00
R / Rfree (%)	19.9 / 23.5

The binding sites of Fluorine atom in the X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P30) in Complex with Grl-003 (pdb code 6ogq). 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 X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P30) in Complex with Grl-003, PDB code: 6ogq:

Fluorine binding site 1 out of 1 in the X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P30) in Complex with Grl-003


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P30) in Complex with Grl-003 within 5.0Å range: probe atom residue distance (Å) B Occ A:F103 b:17.3 occ:0.50 FBU A:JDV103 0.0 17.3 0.5 CBK A:JDV103 1.5 14.9 0.5 CBJ A:JDV103 2.5 14.3 0.5 CBL A:JDV103 2.5 14.6 0.5 O A:HOH242 3.7 38.1 1.0 CBI A:JDV103 3.8 13.7 0.5 CBM A:JDV103 3.8 13.7 0.5 O A:GLY48 4.1 18.7 1.0 CA A:GLY49 4.2 17.0 1.0 CBH A:JDV103 4.3 12.8 0.5 C A:GLY49 4.5 17.2 1.0 C A:GLY48 4.5 17.1 1.0 CAD A:JDV103 4.5 11.9 0.5 N A:GLY49 4.5 16.9 1.0 O A:GLY49 4.6 19.5 1.0 O A:HOH223 4.7 28.4 1.0 CAC A:JDV103 4.8 12.1 0.5

H.Bulut, S.I.Hattori, H.Aoki-Ogata, H.Hayashi, M.Aoki, A.K.Ghosh, H.Mitsuya. Novel Hiv-1 Protease Inhibitors, Grl-142 and Its Analogs, Markedly Adapt to the Structural Plasticity of Hiv-1 Protease and Exerts Extreme Potency with High Genetic Barrier To Be Published.