8AIQ

Mpro of SARS COV-2 in complex with the MG-87 inhibitor

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	AAA, BBB	Replicase polyprotein 1ab	polymer	306	33825.5	2	UniProt (P0DTD1) Pfam (PF05409) In PDB	Severe acute respiratory syndrome coronavirus	pp1ab,ORF1ab polyprotein
2	AAA, BBB	~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate	non-polymer		505.6	2	Chemie (MXU)
3	AAA	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4		water	water		18.0	183	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67651.1
Non-Polymers*	Number of molecules	3
	Total formula weight	1046.6
All*	Total formula weight	68697.7

*Water molecules are not included.