7XAR

Crystal structure of 3C-like protease from SARS-CoV-2 in complex with covalent inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	3C-like proteinase	polymer	306	33825.5	2	UniProt (P0DTC1) Pfam (PF05409) UniProt (by SIFTS) (P0DTD1) In PDB	Severe acute respiratory syndrome coronavirus 2	main protease
2	A, B	NICKEL (II) ION	non-polymer		58.7	5	Chemie (NI)
3	A	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	A, B	4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide	non-polymer		463.5	2	Chemie (BOV)
5		water	water		18.0	466	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67651.1
Non-Polymers*	Number of molecules	9
	Total formula weight	1291.3
All*	Total formula weight	68942.4

*Water molecules are not included.