Calcium in PDB 8phi: Crystal Structure of Prefusion-Stabilized Rsv F Variant Ds-CAV1 in Complex with Lonafarnib

The structure of Crystal Structure of Prefusion-Stabilized Rsv F Variant Ds-CAV1 in Complex with Lonafarnib, PDB code: 8phi was solved by M.Rajak, T.Krey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.21 / 2.29
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	88.64, 88.64, 194.98, 90, 90, 120
R / Rfree (%)	19.8 / 22.9

The structure of Crystal Structure of Prefusion-Stabilized Rsv F Variant Ds-CAV1 in Complex with Lonafarnib also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Bromine	(Br)	2 atoms

The binding sites of Calcium atom in the Crystal Structure of Prefusion-Stabilized Rsv F Variant Ds-CAV1 in Complex with Lonafarnib (pdb code 8phi). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of Prefusion-Stabilized Rsv F Variant Ds-CAV1 in Complex with Lonafarnib, PDB code: 8phi:

Calcium binding site 1 out of 1 in the Crystal Structure of Prefusion-Stabilized Rsv F Variant Ds-CAV1 in Complex with Lonafarnib


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Prefusion-Stabilized Rsv F Variant Ds-CAV1 in Complex with Lonafarnib within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca605 b:55.2 occ:1.00 O F:HOH772 3.0 43.3 1.0 N F:TYR458 3.2 53.7 1.0 O F:HOH721 3.3 48.5 1.0 CD1 F:TYR458 3.7 53.3 1.0 CB F:TYR458 3.7 52.6 1.0 CA F:TYR458 4.1 52.9 1.0 CA F:TYR457 4.1 55.0 1.0 C F:TYR457 4.1 54.7 1.0 CG F:TYR458 4.2 52.9 1.0 O F:LEU456 4.3 53.9 1.0 O F:TYR458 4.6 52.5 1.0 CE1 F:TYR458 4.8 54.4 1.0 C F:TYR458 4.8 52.5 1.0

S.M.Sake, X.Zhang, M.K.Rajak, M.Urbanek-Quaing, A.Carpentier, A.P.Gunesch, C.Grethe, A.Matthaei, J.Ruckert, M.Galloux, T.Larcher, R.Le Goffic, F.Hontonnou, A.K.Chatterjee, K.Johnson, K.Morwood, K.Rox, W.A.M.Elgaher, J.Huang, M.Wetzke, G.Hansen, N.Fischer, J.F.Eleouet, M.A.Rameix-Welti, A.K.H.Hirsch, E.Herold, M.Empting, C.Lauber, T.F.Schulz, T.Krey, S.Haid, T.Pietschmann. Drug Repurposing Screen Identifies Lonafarnib As Respiratory Syncytial Virus Fusion Protein Inhibitor. Nat Commun V. 15 1173 2024.
ISSN: ESSN 2041-1723
PubMed: 38332002
DOI: 10.1038/S41467-024-45241-Y