Fluorine in PDB 6ogt: X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P51) in Complex with Grl-001

The structure of X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P51) in Complex with Grl-001, PDB code: 6ogt 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)	54.62 / 1.21
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	63.071, 63.071, 82.196, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 20.6

The binding sites of Fluorine atom in the X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P51) in Complex with Grl-001 (pdb code 6ogt). 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-001, PDB code: 6ogt:

Fluorine binding site 1 out of 1 in the X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P51) in Complex with Grl-001


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-001 within 5.0Å range: probe atom residue distance (Å) B Occ A:F102 b:19.8 occ:0.54 FBP A:JDY102 0.0 19.8 0.5 CBL A:JDY102 1.3 15.5 0.5 CBM A:JDY102 2.2 14.2 0.5 CBK A:JDY102 2.3 15.6 0.5 C A:GLY49 2.9 17.6 1.0 N A:ILE50 3.1 18.6 1.0 CA A:GLY49 3.2 17.7 1.0 O A:GLY49 3.4 18.6 1.0 CBH A:JDY102 3.5 12.8 0.5 CBJ A:JDY102 3.5 14.9 0.5 CG2 A:ILE50 3.7 21.0 1.0 CA A:ILE50 3.7 20.1 1.0 CBI A:JDY102 4.0 13.8 0.5 N A:GLY49 4.2 17.5 1.0 CB A:ILE50 4.3 23.4 1.0 OAM A:JDY102 4.4 10.1 0.5 O A:GLY48 4.6 17.0 1.0 O A:HOH249 4.7 29.4 1.0 C A:GLY48 4.7 16.2 1.0 O A:HOH202 4.7 15.5 0.5 CAW A:JDY102 4.8 11.5 0.5 OAU A:JDY102 5.0 11.3 0.5 CAL A:JDY102 5.0 10.8 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.