Fluorine in PDB 6ogl: X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P51) in Complex with Grl-003

The structure of X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P51) in Complex with Grl-003, PDB code: 6ogl 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)	45.40 / 1.21
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	62.984, 62.984, 81.893, 90.00, 90.00, 120.00
R / Rfree (%)	19.3 / 20.1

The binding sites of Fluorine atom in the X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P51) in Complex with Grl-003 (pdb code 6ogl). 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 (P51) in Complex with Grl-003, PDB code: 6ogl:

Fluorine binding site 1 out of 1 in the X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P51) 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 (P51) in Complex with Grl-003 within 5.0Å range: probe atom residue distance (Å) B Occ A:F103 b:19.5 occ:0.50 FBU A:JDV103 0.0 19.5 0.5 CBK A:JDV103 1.4 15.4 0.5 CG A:PRO81 1.8 32.0 1.0 CBL A:JDV103 2.4 13.9 0.5 CBJ A:JDV103 2.4 16.1 0.5 CB A:PRO81 2.6 27.8 1.0 CD A:PRO81 3.2 27.6 1.0 CBI A:JDV103 3.7 14.2 0.5 CBM A:JDV103 3.7 13.3 0.5 CA A:PRO81 3.8 24.2 1.0 N A:PRO81 4.1 25.7 1.0 C A:PRO81 4.1 21.3 1.0 CBH A:JDV103 4.2 13.2 0.5 N A:ILE82 4.2 15.1 1.0 CG2 A:ILE82 4.3 19.1 1.0 O A:PRO81 4.8 21.3 1.0 CAD A:JDV103 4.9 10.3 0.5 CB A:ILE82 5.0 16.1 1.0

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.