Fluorine in PDB 6ogp: X-Ray Crystal Structure of Wild Type Hiv-1 Protease in Complex with Grl-063

The structure of X-Ray Crystal Structure of Wild Type Hiv-1 Protease in Complex with Grl-063, PDB code: 6ogp 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)	1.58 / 1.53
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	63.087, 63.087, 82.339, 90.00, 90.00, 120.00
R / Rfree (%)	21.9 / 26.2

The binding sites of Fluorine atom in the X-Ray Crystal Structure of Wild Type Hiv-1 Protease in Complex with Grl-063 (pdb code 6ogp). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the X-Ray Crystal Structure of Wild Type Hiv-1 Protease in Complex with Grl-063, PDB code: 6ogp:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the X-Ray Crystal Structure of Wild Type Hiv-1 Protease in Complex with Grl-063


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-063 within 5.0Å range: probe atom residue distance (Å) B Occ A:F102 b:21.9 occ:0.58 FBV A:MJD102 0.0 21.9 0.6 CBJ A:MJD102 1.3 19.9 0.6 CBK A:MJD102 2.3 20.1 0.6 CG A:PRO81 2.3 34.9 1.0 CBI A:MJD102 2.4 19.0 0.6 CD A:PRO81 2.9 31.7 1.0 CBL A:MJD102 3.6 19.6 0.6 CBH A:MJD102 3.6 17.9 0.6 CB A:PRO81 3.8 31.4 1.0 CBM A:MJD102 4.1 16.4 0.6 N A:PRO81 4.1 31.8 1.0 OG1 A:THR80 4.5 21.8 1.0 FBT A:MJD102 4.6 22.3 0.6 O A:HOH202 4.6 17.6 0.5 CA A:PRO81 4.6 30.8 1.0 CG1 A:VAL82 4.7 35.3 1.0 CAW A:MJD102 4.8 16.7 0.6 OAU A:MJD102 4.8 21.1 0.6 N A:VAL82 4.9 27.4 1.0

Fluorine binding site 2 out of 2 in the X-Ray Crystal Structure of Wild Type Hiv-1 Protease in Complex with Grl-063


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of X-Ray Crystal Structure of Wild Type Hiv-1 Protease in Complex with Grl-063 within 5.0Å range: probe atom residue distance (Å) B Occ A:F102 b:22.3 occ:0.58 FBT A:MJD102 0.0 22.3 0.6 CBL A:MJD102 1.3 19.6 0.6 CBK A:MJD102 2.3 20.1 0.6 CBM A:MJD102 2.4 16.4 0.6 CAC A:MJD102 3.5 19.5 0.6 CBJ A:MJD102 3.6 19.9 0.6 CBH A:MJD102 3.6 17.9 0.6 CG1 A:VAL82 3.7 35.3 1.0 NH1 A:ARG8 3.7 38.2 1.0 CBI A:MJD102 4.1 19.0 0.6 NH2 A:ARG8 4.1 33.0 1.0 CAD A:MJD102 4.1 19.1 0.6 CZ A:ARG8 4.2 33.6 1.0 CB A:VAL82 4.5 30.7 1.0 FBV A:MJD102 4.6 21.9 0.6 OAB A:MJD102 4.7 19.1 0.6 CAW A:MJD102 4.8 16.7 0.6 CD2 A:LEU23 4.9 21.9 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.