5N5O

Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-cyclopropylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (Cinnamoyl-cyclopropylalanine-GlnLactam-CO-CO-NH-benzyl)

Summary for 5N5O

• Entry DOI: 10.2210/pdb5n5o/pdb
• Descriptor: Replicase polyprotein 1ab, (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-~{N}-(phenylmethyl)butanamide (3 entities in total)
• Functional Keywords: viral protease, coronavirus, alpha-ketoamide, inhibitor, hydrolase
• Biological source: SARS coronavirus
• Cellular location: Papain-like proteinase: Host membrane; Multi-pass membrane protein. Non-structural protein 4: Host membrane; Multi-pass membrane protein. Non-structural protein 6: Host membrane ; Multi-pass membrane protein . Non-structural protein 7: Host cytoplasm, host perinuclear region . Non-structural protein 8: Host cytoplasm, host perinuclear region . Non-structural protein 9: Host cytoplasm, host perinuclear region . Non-structural protein 10: Host cytoplasm, host perinuclear region . Helicase: Host endoplasmic reticulum-Golgi intermediate compartment . Uridylate-specific endoribonuclease: Host cytoplasm, host perinuclear region : P0C6X7
• Total number of polymer chains: 1
• Total formula weight: 34409.27

Authors

Zhang, L.,Hilgenfeld, R. (deposition date: 2017-02-14, release date: 2018-03-07)

• Primary citation: Lin, D.,Zhang, L.,Kusov, Y.,Nian, Y.,Ma, Q.,Wang, J.,Leyssen, P.,Lanko, K.,Neyts, J.,de Wilde, A.,Snijder, E.J.,Liu, H.,Hilgenfeld, R.; Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication; To Be Published,

Experimental method

X-RAY DIFFRACTION (2 Å)