title: Human rhinovirus 14 complexed with antiviral compound R 61837.
abstract: The binding of the antirhinoviral agent R 61837 to human rhinovirus 14 has been examined by X-ray crystallographic methods. The compound R 61837 binds in the same pocket (underneath the canyon floor) as the "WIN" antirhinoviral agents. It does not penetrate as far into the pocket but causes similar conformational changes in the virus capsid. The movement of residues 1217 to 1221 of viral protein 1 (in the "FMDV loop") is more pronounced for R 61837 than for WIN compounds. Although both R 61837 and WIN antiviral agents partially fill the same hydrophobic pocket, atomic binding interactions differ, showing that considerable diversity in the nature of antiviral agents is possible.
authors.affiliation: Department of Biological Sciences, Purdue University, West Lafayette, IN 47907.
authors.forename: M S
authors.initials: MS
authors.lastname: Chapman
authors.forename: I
authors.initials: I
authors.lastname: Minor
authors.forename: M G
authors.initials: MG
authors.lastname: Rossmann
authors.forename: G D
authors.initials: GD
authors.lastname: Diana
authors.forename: K
authors.initials: K
authors.lastname: Andries
mesh_terms: D000998:Antiviral Agents / Q000737:chemistry; D001665:Binding Sites; D003196:Computer Graphics; D003198:Computer Simulation; D003461:Crystallography; D004121:Dimethyl Sulfoxide / Q000737:chemistry; D006860:Hydrogen Bonding; D066298:In Vitro Techniques; D008958:Models, Molecular; D011485:Protein Binding; D011724:Pyridazines / Q000737:chemistry*; D012229:Rhinovirus / Q000648:ultrastructure*; D013329:Structure-Activity Relationship; D014867:Water; D014961:X-Ray Diffraction
chemical_list: D000998:Antiviral Agents; D011724:Pyridazines; D014867:Water; C057389:R 61837; D004121:Dimethyl Sulfoxide