2ALV

X-ray structural analysis of SARS coronavirus 3CL proteinase in complex with designed anti-viral inhibitors

Summary for 2ALV

Entry DOI	10.2210/pdb2alv/pdb
Descriptor	Replicase polyprotein 1ab, N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE (3 entities in total)
Functional Keywords	sars, coronavirus, 3c, 3cl, 3clpro, proteinase, protease, inhibitor, anti-viral, hydrolase
Biological source	SARS coronavirus
Total number of polymer chains	1
Total formula weight	34356.29
Authors	Ghosh, A.K.,Xi, K.,Ratia, K.,Santarsiero, B.D.,Fu, W.,Harcourt, B.H.,Rota, P.A.,Baker, S.C.,Johnson, M.E.,Mesecar, A.D. (deposition date: 2005-08-08, release date: 2006-08-08, Last modification date: 2023-08-23)
Primary citation	Ghosh, A.K.,Xi, K.,Ratia, K.,Santarsiero, B.D.,Fu, W.,Harcourt, B.H.,Rota, P.A.,Baker, S.C.,Johnson, M.E.,Mesecar, A.D. Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors. J.Med.Chem., 48:6767-6771, 2005 Cited by PubMed: 16250632 DOI: 10.1021/jm050548m PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation