5NH0

Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide tert-Butyl ((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)b- utan-2-yl)carbamate (tert-butyl -GlnLactam-CO-CO-NH-benzyl)

Summary for 5NH0

• Entry DOI: 10.2210/pdb5nh0/pdb
• Descriptor: 3C-like proteinase, ~{tert}-butyl ~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]carbamate, DIMETHYL SULFOXIDE, ... (5 entities in total)
• Functional Keywords: viral protease, coronavirus, alpha-ketoamide, inhibitor, hydrolase
• Biological source: Human coronavirus NL63 (HCoV-NL63)
• Cellular location: Non-structural protein 3: 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 : P0C6X5
• Total number of polymer chains: 3
• Total formula weight: 98816.19

Authors

Zhang, L.,Hilgenfeld, R. (deposition date: 2017-03-21, release date: 2018-05-16, Last modification date: 2024-05-01)

• 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 (2.35 Å)