Fluorine in PDB 6f6i: Crystal Structure of Ebolavirus Glycoprotein in Complex with Paroxetine

The structure of Crystal Structure of Ebolavirus Glycoprotein in Complex with Paroxetine, PDB code: 6f6i was solved by J.Ren, Y.Zhao, E.E.Fry, D.I.Stuart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.01 / 2.40
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	113.680, 113.680, 306.260, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 21.2

The binding sites of Fluorine atom in the Crystal Structure of Ebolavirus Glycoprotein in Complex with Paroxetine (pdb code 6f6i). 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 Ebolavirus Glycoprotein in Complex with Paroxetine, PDB code: 6f6i:

Fluorine binding site 1 out of 1 in the Crystal Structure of Ebolavirus Glycoprotein in Complex with Paroxetine


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 Ebolavirus Glycoprotein in Complex with Paroxetine within 5.0Å range: probe atom residue distance (Å) B Occ A:F509 b:95.9 occ:1.00 FAA A:8PR509 0.0 95.9 1.0 CAR A:8PR509 1.4 88.3 1.0 CAC A:8PR509 2.4 84.8 1.0 CAB A:8PR509 2.4 84.2 1.0 CD A:ARG64 3.4 75.5 1.0 CB A:ALA101 3.5 48.3 1.0 CB A:GLU100 3.5 55.8 1.0 CAF A:8PR509 3.6 95.3 1.0 OG1 B:THR519 3.6 54.4 1.0 CAE A:8PR509 3.7 90.9 1.0 C A:GLU100 3.9 56.1 1.0 N A:ALA101 4.0 54.4 1.0 OE2 A:GLU100 4.1 70.5 1.0 CAT A:8PR509 4.1 95.7 1.0 O A:GLU100 4.2 56.4 1.0 CG A:ARG64 4.2 70.0 1.0 NH1 A:ARG64 4.3 0.4 1.0 CA A:ALA101 4.3 46.0 1.0 NE A:ARG64 4.3 88.7 1.0 CB A:ARG64 4.3 59.8 1.0 CA A:GLU100 4.4 53.3 1.0 CB B:THR519 4.5 56.4 1.0 CD A:GLU100 4.6 66.4 1.0 O A:SER65 4.6 59.0 1.0 CG A:GLU100 4.7 63.0 1.0 CZ A:ARG64 4.7 0.8 1.0 CG1 A:VAL66 5.0 57.3 1.0

J.Ren, Y.Zhao, E.E.Fry, D.I.Stuart. Target Identification and Mode of Action of Four Chemically Divergent Drugs Against Ebolavirus Infection. J. Med. Chem. V. 61 724 2018.
ISSN: ISSN 1520-4804
PubMed: 29272110
DOI: 10.1021/ACS.JMEDCHEM.7B01249