3VDD

Structure of HRV2 capsid complexed with antiviral compound BTA798

Summary for 3VDD

• Entry DOI: 10.2210/pdb3vdd/pdb
• Descriptor: Protein VP1, Protein VP2, Protein VP3, ... (6 entities in total)
• Functional Keywords: viral capsid, virus-drug complex, virus
• Biological source: Human rhinovirus 2 (HRV-2); More
• Cellular location: Capsid protein VP0: Virion (By similarity). Capsid protein VP4: Virion (By similarity). Capsid protein VP2: Virion (By similarity). Capsid protein VP3: Virion (By similarity). Capsid protein VP1: Virion (By similarity). Protein 2B: Host cytoplasmic vesicle membrane; Peripheral membrane protein; Cytoplasmic side (Potential). Protein 2C: Host cytoplasmic vesicle membrane; Peripheral membrane protein; Cytoplasmic side (Potential). Protein 3A: Host cytoplasmic vesicle membrane; Peripheral membrane protein; Cytoplasmic side (Potential). Protein 3AB: Host cytoplasmic vesicle membrane; Peripheral membrane protein; Cytoplasmic side (Potential). Viral protein genome-linked: Virion (By similarity). Protease 3C: Host cytoplasm (By similarity). Protein 3CD: Host cytoplasmic vesicle membrane; Peripheral membrane protein; Cytoplasmic side (Potential). RNA-directed RNA polymerase: Host cytoplasmic vesicle membrane; Peripheral membrane protein; Cytoplasmic side (Potential): P04936 P04936 P04936 P04936
• Total number of polymer chains: 4
• Total formula weight: 95262.10

Authors

Morton, C.J.,Feil, S.C.,Parker, M.W. (deposition date: 2012-01-05, release date: 2012-09-12, Last modification date: 2023-09-13)

Primary citation

Feil, S.C.,Hamilton, S.,Krippner, G.Y.,Lin, B.,Luttick, A.,McConnell, D.B.,Nearn, R.,Parker, M.W.,Ryan, J.,Stanislawski, P.C.,Tucker, S.P.,Watson, K.G.,Morton, C.J.
An Orally Available 3-Ethoxybenzisoxazole Capsid Binder with Clinical Activity against Human Rhinovirus.
ACS Med Chem Lett, 3:303-307, 2012

PubMed Abstract: Respiratory infections caused by human rhinovirus are responsible for severe exacerbations of underlying clinical conditions such as asthma in addition to their economic cost in terms of lost working days due to illness. While several antiviral compounds for treating rhinoviral infections have been discovered, none have succeeded, to date, in reaching approval for clinical use. We have developed a potent, orally available rhinovirus inhibitor 6 that has progressed through early clinical trials. The compound shows favorable pharmacokinetic and activity profiles and has a confirmed mechanism of action through crystallographic studies of a rhinovirus-compound complex. The compound has now progressed to phase IIb clinical studies of its effect on natural rhinovirus infection in humans.

PubMed: 24900468
DOI: 10.1021/ml2002955

Experimental method

X-RAY DIFFRACTION (3.2 Å)