Chlorine in PDB 6vkd: Crystal Structure of Inhibitor Jnj-36689282 in Complex with Prefusion Rsv F Glycoprotein

The structure of Crystal Structure of Inhibitor Jnj-36689282 in Complex with Prefusion Rsv F Glycoprotein, PDB code: 6vkd was solved by J.S.Mclellan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.06 / 2.50
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	168.610, 168.610, 168.610, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 22.9

The binding sites of Chlorine atom in the Crystal Structure of Inhibitor Jnj-36689282 in Complex with Prefusion Rsv F Glycoprotein (pdb code 6vkd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Inhibitor Jnj-36689282 in Complex with Prefusion Rsv F Glycoprotein, PDB code: 6vkd:

Chlorine binding site 1 out of 1 in the Crystal Structure of Inhibitor Jnj-36689282 in Complex with Prefusion Rsv F Glycoprotein


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 Inhibitor Jnj-36689282 in Complex with Prefusion Rsv F Glycoprotein within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl602 b:53.2 occ:1.00 N F:TYR458 3.3 39.8 1.0 O F:HOH750 3.3 44.4 1.0 CD1 F:TYR458 3.5 40.0 1.0 CB F:TYR458 3.7 41.0 1.0 CG F:TYR458 4.1 41.5 1.0 CA F:TYR458 4.1 40.3 1.0 O F:LEU456 4.2 46.8 1.0 C F:TYR457 4.2 41.9 1.0 CA F:TYR457 4.3 42.7 1.0 CE1 F:TYR458 4.5 42.0 1.0 O F:TYR458 4.6 34.6 1.0 C F:TYR458 4.9 40.1 1.0 O F:HOH732 4.9 53.9 1.0

S.Vendeville, A.Tahri, L.Hu, S.Demin, L.Cooymans, A.Vos, L.Kwanten, J.Van Den Berg, M.Battles, J.Mclellan, A.Koul, P.Raboisson, D.Roymans, T.H.M.Jonckers. Discovery of 3 ({5 Chloro-1 [3 (Methylsulfonyl)Propyl]-1H Indol-2 Yl}Methyl)-1 (2,2,2 Trifluoroethyl)-1,3 Dihydro-2H Imidazo[4,5-C]Pyridin-2 One (Jnj-53718678), A Potent and Orally Bioavailable Fusion Inhibitor of Respiratory Syncytial Virus. J.Med.Chem. 2020.
ISSN: ISSN 0022-2623
PubMed: 32407115
DOI: 10.1021/ACS.JMEDCHEM.0C00226