Fluorine in PDB 6oyr: X-Ray Crystal Structure of Wild Type Hiv-1 Protease in Complex with Grl-002

The structure of X-Ray Crystal Structure of Wild Type Hiv-1 Protease in Complex with Grl-002, PDB code: 6oyr 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)	45.39 / 1.54
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	62.820, 62.820, 82.354, 90.00, 90.00, 120.00
R / Rfree (%)	21.6 / 26.1

The binding sites of Fluorine atom in the X-Ray Crystal Structure of Wild Type Hiv-1 Protease in Complex with Grl-002 (pdb code 6oyr). 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 Wild Type Hiv-1 Protease in Complex with Grl-002, PDB code: 6oyr:

Fluorine binding site 1 out of 1 in the X-Ray Crystal Structure of Wild Type Hiv-1 Protease in Complex with Grl-002


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 Wild Type Hiv-1 Protease in Complex with Grl-002 within 5.0Å range: probe atom residue distance (Å) B Occ A:F101 b:22.7 occ:0.54 FBT A:NJY101 0.0 22.7 0.5 CBL A:NJY101 1.4 19.5 0.5 CBK A:NJY101 2.3 18.6 0.5 CG A:PRO81 2.4 34.9 1.0 CBM A:NJY101 2.4 18.5 0.5 CD A:PRO81 2.9 31.1 1.0 CBJ A:NJY101 3.6 18.6 0.5 CBH A:NJY101 3.7 17.4 0.5 CB A:PRO81 3.8 30.8 1.0 N A:PRO81 4.1 30.7 1.0 CBI A:NJY101 4.1 16.7 0.5 OG1 A:THR80 4.5 21.7 1.0 O A:HOH206 4.5 17.7 0.5 CA A:PRO81 4.6 30.1 1.0 CG1 A:VAL82 4.8 28.7 1.0 OAU A:NJY101 4.8 18.4 0.5 CAW A:NJY101 4.8 16.2 0.5 N A:VAL82 4.9 27.3 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.