Fluorine in PDB 6mug: Crystal Structure of Hiv-1 B41 Sosip.664 Prefusion Env Trimer Bound to Small Molecule Hiv-1 Entry Inhibitor Bms-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.8 Angstrom

The structure of Crystal Structure of Hiv-1 B41 Sosip.664 Prefusion Env Trimer Bound to Small Molecule Hiv-1 Entry Inhibitor Bms-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.8 Angstrom, PDB code: 6mug was solved by Y.-T.Lai, P.D.Kwong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.88 / 2.95
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	132.760, 132.760, 313.400, 90.00, 90.00, 120.00
R / Rfree (%)	23 / 29

The structure of Crystal Structure of Hiv-1 B41 Sosip.664 Prefusion Env Trimer Bound to Small Molecule Hiv-1 Entry Inhibitor Bms-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.8 Angstrom also contains other interesting chemical elements:

Bromine

(Br)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of Hiv-1 B41 Sosip.664 Prefusion Env Trimer Bound to Small Molecule Hiv-1 Entry Inhibitor Bms-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.8 Angstrom (pdb code 6mug). 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 Crystal Structure of Hiv-1 B41 Sosip.664 Prefusion Env Trimer Bound to Small Molecule Hiv-1 Entry Inhibitor Bms-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.8 Angstrom, PDB code: 6mug:

Fluorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 B41 Sosip.664 Prefusion Env Trimer Bound to Small Molecule Hiv-1 Entry Inhibitor Bms-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.8 Angstrom


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Hiv-1 B41 Sosip.664 Prefusion Env Trimer Bound to Small Molecule Hiv-1 Entry Inhibitor Bms-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.8 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ G:F633 b:50.1 occ:1.00 F22 G:JYS633 0.0 50.1 1.0 C02 G:JYS633 1.4 41.9 1.0 C01 G:JYS633 2.5 29.9 1.0 C03 G:JYS633 2.5 47.5 1.0 N23 G:JYS633 3.1 49.9 1.0 OD1 G:ASP113 3.4 58.9 1.0 CB G:LYS432 3.8 89.7 1.0 C06 G:JYS633 3.8 33.6 1.0 C04 G:JYS633 3.8 60.1 1.0 CE G:MET426 4.0 85.9 1.0 CB G:MET426 4.1 81.3 1.0 CG G:ASP113 4.2 53.9 1.0 SD G:MET426 4.2 99.4 1.0 CG G:MET426 4.2 84.2 1.0 O G:LYS432 4.3 46.4 1.0 C05 G:JYS633 4.3 53.7 1.0 C G:LYS432 4.3 59.5 1.0 C07 G:JYS633 4.4 57.5 1.0 OD2 G:ASP113 4.5 55.6 1.0 CA G:LYS432 4.5 86.2 1.0 N G:LYS432 4.7 83.4 1.0 CD G:LYS432 4.8 82.0 1.0 C08 G:JYS633 4.8 59.9 1.0 CG G:LYS432 4.8 95.8 1.0 N G:ALA433 4.8 60.2 1.0

Y.T.Lai, T.Wang, S.O'dell, M.K.Louder, A.Schon, C.S.F.Cheung, G.Y.Chuang, A.Druz, B.Lin, K.Mckee, D.Peng, Y.Yang, B.Zhang, A.Herschhorn, J.Sodroski, R.T.Bailer, N.A.Doria-Rose, J.R.Mascola, D.R.Langley, P.D.Kwong. Lattice Engineering Enables Definition of Molecular Features Allowing For Potent Small-Molecule Inhibition of Hiv-1 Entry. Nat Commun V. 10 47 2019.
ISSN: ESSN 2041-1723
PubMed: 30604750
DOI: 10.1038/S41467-018-07851-1