Chlorine in PDB 5kww: Crystal Structure of Inhibitor Jnj-53718678 in Complex with Prefusion Rsv F Glycoprotein

The structure of Crystal Structure of Inhibitor Jnj-53718678 in Complex with Prefusion Rsv F Glycoprotein, PDB code: 5kww was solved by J.S.Mclellan, M.B.Battles, E.Arnoult, D.Roymans, J.P.Langedijk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.76 / 2.50
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	169.990, 169.990, 169.990, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 23.9

The structure of Crystal Structure of Inhibitor Jnj-53718678 in Complex with Prefusion Rsv F Glycoprotein also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Inhibitor Jnj-53718678 in Complex with Prefusion Rsv F Glycoprotein (pdb code 5kww). 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-53718678 in Complex with Prefusion Rsv F Glycoprotein, PDB code: 5kww:

Chlorine binding site 1 out of 1 in the Crystal Structure of Inhibitor Jnj-53718678 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-53718678 in Complex with Prefusion Rsv F Glycoprotein within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl613 b:32.5 occ:0.33 CL8 F:6YA613 0.0 32.5 0.3 C07 F:6YA613 1.7 38.4 0.3 C09 F:6YA613 2.7 38.2 0.3 C06 F:6YA613 2.8 37.7 0.3 CB F:ASP489 3.6 40.9 1.0 OD2 F:ASP489 3.7 46.1 1.0 C10 F:6YA613 4.0 38.3 0.3 C05 F:6YA613 4.1 37.8 0.3 CG F:ASP489 4.2 42.7 1.0 C04 F:6YA613 4.6 36.9 0.3 CA F:ASP489 4.9 41.5 1.0

D.Roymans, S.S.Alnajjar, M.B.Battles, P.Sitthicharoenchai, P.Furmanova-Hollenstein, P.Rigaux, J.V.D.Berg, L.Kwanten, M.V.Ginderen, N.Verheyen, L.Vranckx, S.Jaensch, E.Arnoult, R.Voorzaat, J.M.Gallup, A.Larios-Mora, M.Crabbe, D.Huntjens, P.Raboisson, J.P.Langedijk, M.R.Ackermann, J.S.Mclellan, S.Vendeville, A.Koul. Therapeutic Efficacy of A Respiratory Syncytial Virus Fusion Inhibitor. Nat Commun V. 8 167 2017.
ISSN: ESSN 2041-1723
PubMed: 28761099
DOI: 10.1038/S41467-017-00170-X