6FFN

Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors

Summary for 6FFN

• Entry DOI: 10.2210/pdb6ffn/pdb
• Descriptor: 3C protease, ~{N}-[(5~{S},8~{S},11~{S},15~{R})-8-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2,7,10,14-tetrakis(oxidanylidene)-1,6,9,13-tetrazabicyclo[13.3.0]octadecan-11-yl]-5-methyl-1,2-oxazole-3-carboxamide, SULFATE ION, ... (6 entities in total)
• Functional Keywords: 3c protease, rhinovirus, inhibitor, hydrolase
• Biological source: Human rhinovirus 2 (HRV-2)
• Cellular location: Capsid protein VP0: Virion . Capsid protein VP4: Virion . Capsid protein VP2: Virion . Capsid protein VP3: Virion . Capsid protein VP1: Virion . Protein 2B: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . Protein 2C: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . Protein 3A: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . Protein 3AB: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . Viral protein genome-linked: Virion . Protease 3C: Host cytoplasm . Protein 3CD: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . RNA-directed RNA polymerase: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side : P04936
• Total number of polymer chains: 1
• Total formula weight: 20964.67

Authors

Wiesmann, C.,Farady, C. (deposition date: 2018-01-08, release date: 2018-02-21, Last modification date: 2024-01-17)

• Primary citation: Namoto, K.,Sirockin, F.,Sellner, H.,Wiesmann, C.,Villard, F.,Moreau, R.J.,Valeur, E.,Paulding, S.C.,Schleeger, S.,Schipp, K.,Loup, J.,Andrews, L.,Swale, R.,Robinson, M.,Farady, C.J.; Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors.; Bioorg. Med. Chem. Lett., 28:906-909, 2018; PubMed: 29433930; DOI: 10.1016/j.bmcl.2018.01.064

Experimental method

X-RAY DIFFRACTION (1.75 Å)