Chlorine in PDB 6f6n: Crystal Structure of Ebolavirus Glycoprotein in Complex with Sertraline

The structure of Crystal Structure of Ebolavirus Glycoprotein in Complex with Sertraline, PDB code: 6f6n 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)	60.54 / 2.15
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	114.250, 114.250, 306.190, 90.00, 90.00, 120.00
R / Rfree (%)	18.4 / 20.4

The binding sites of Chlorine atom in the Crystal Structure of Ebolavirus Glycoprotein in Complex with Sertraline (pdb code 6f6n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Ebolavirus Glycoprotein in Complex with Sertraline, PDB code: 6f6n:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Ebolavirus Glycoprotein in Complex with Sertraline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Ebolavirus Glycoprotein in Complex with Sertraline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:0.8 occ:1.00 CL19 A:SRE508 0.0 0.8 1.0 C16 A:SRE508 1.8 0.3 1.0 C15 A:SRE508 2.7 0.6 1.0 C17 A:SRE508 2.7 0.4 1.0 CL20 A:SRE508 3.2 0.1 1.0 CD1 A:ILE38 3.6 59.5 1.0 C14 A:SRE508 4.0 0.8 1.0 C18 A:SRE508 4.0 0.9 1.0 CG1 A:ILE38 4.1 59.1 1.0 CD1 B:LEU554 4.3 55.5 1.0 C13 A:SRE508 4.5 0.8 1.0 CD1 A:LEU184 4.6 64.7 1.0 CD1 A:LEU43 4.6 58.5 1.0 CD2 A:LEU186 4.6 71.5 1.0 CE B:MET548 4.7 93.1 1.0 CB B:LEU554 4.8 47.9 1.0 CG B:LEU554 5.0 52.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Ebolavirus Glycoprotein in Complex with Sertraline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Ebolavirus Glycoprotein in Complex with Sertraline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:0.1 occ:1.00 CL20 A:SRE508 0.0 0.1 1.0 C15 A:SRE508 1.8 0.6 1.0 C16 A:SRE508 2.7 0.3 1.0 C14 A:SRE508 2.8 0.8 1.0 CL19 A:SRE508 3.2 0.8 1.0 CD2 B:LEU558 3.5 53.6 1.0 O B:LEU554 3.8 45.1 1.0 CB B:LEU558 3.9 42.4 1.0 CB B:LEU554 4.0 47.9 1.0 C17 A:SRE508 4.0 0.4 1.0 C13 A:SRE508 4.1 0.8 1.0 CD1 B:ILE555 4.1 50.3 1.0 C B:LEU554 4.1 47.1 1.0 CG B:LEU558 4.1 52.4 1.0 CE B:MET548 4.3 93.1 1.0 SD B:MET548 4.5 90.3 1.0 CD1 B:LEU558 4.5 54.4 1.0 C18 A:SRE508 4.6 0.9 1.0 N B:ILE555 4.6 46.6 1.0 CA B:LEU554 4.6 45.5 1.0 CA B:ILE555 4.8 46.3 1.0 CD1 A:LEU184 4.9 64.7 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