Fluorine in PDB 6mu8: Crystal Structure of Hiv-1 BG505 Sosip.664 Prefusion Env Trimer Bound to Small Molecule Hiv-1 Entry Inhibitor Bms-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.5 Angstrom

Protein crystallography data

The structure of Crystal Structure of Hiv-1 BG505 Sosip.664 Prefusion Env Trimer Bound to Small Molecule Hiv-1 Entry Inhibitor Bms-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.5 Angstrom, PDB code: 6mu8 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) 46.15 / 2.99
Space group P 63
Cell size a, b, c (Å), α, β, γ (°) 131.410, 131.410, 315.470, 90.00, 90.00, 120.00
R / Rfree (%) 21.9 / 25.9

Other elements in 6mu8:

The structure of Crystal Structure of Hiv-1 BG505 Sosip.664 Prefusion Env Trimer Bound to Small Molecule Hiv-1 Entry Inhibitor Bms-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.5 Angstrom also contains other interesting chemical elements:

Bromine (Br) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Hiv-1 BG505 Sosip.664 Prefusion Env Trimer Bound to Small Molecule Hiv-1 Entry Inhibitor Bms-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.5 Angstrom (pdb code 6mu8). 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 BG505 Sosip.664 Prefusion Env Trimer Bound to Small Molecule Hiv-1 Entry Inhibitor Bms-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.5 Angstrom, PDB code: 6mu8:

Fluorine binding site 1 out of 1 in 6mu8

Go back to Fluorine Binding Sites List in 6mu8
Fluorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 BG505 Sosip.664 Prefusion Env Trimer Bound to Small Molecule Hiv-1 Entry Inhibitor Bms-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.5 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 BG505 Sosip.664 Prefusion Env Trimer Bound to Small Molecule Hiv-1 Entry Inhibitor Bms-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.5 Angstrom within 5.0Å range:
probe atom residue distance (Å) B Occ
G:F637

b:54.6
occ:1.00
F22 G:JYS637 0.0 54.6 1.0
C02 G:JYS637 1.4 32.4 1.0
C01 G:JYS637 2.5 32.0 1.0
C03 G:JYS637 2.5 29.3 1.0
CG G:GLN432 3.0 44.9 1.0
N23 G:JYS637 3.1 33.6 1.0
OD1 G:ASP113 3.2 36.0 1.0
C04 G:JYS637 3.8 39.2 1.0
C06 G:JYS637 3.8 24.4 1.0
CD1 G:LEU116 3.9 20.9 1.0
NE2 G:GLN432 4.0 53.3 1.0
CD G:GLN432 4.0 55.8 1.0
CB G:GLN432 4.0 40.6 1.0
C05 G:JYS637 4.3 36.4 1.0
CG G:ASP113 4.4 37.5 1.0
C07 G:JYS637 4.4 39.8 1.0
SD G:MET426 4.5 47.8 1.0
C08 G:JYS637 4.8 41.2 1.0
CB G:LEU116 4.9 21.4 1.0

Reference:

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
Page generated: Sun Dec 13 12:59:01 2020

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