9DU4

SARS-CoV-2 Mpro in complex with compound 3

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	A, B (A, B)	3C-like proteinase nsp5	polymer	315	35027.9	2	UniProt (P0DTD1) Pfam (PF05409)	Severe acute respiratory syndrome coronavirus 2	3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase
2	C, D (A, B)	N-[(2S)-3-cyclopropyl-1-{[(2R)-1-hydroxy-4-(methanesulfonyl)butan-2-yl]amino}-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide	non-polymer		451.5	2	Chemie (A1BCW)
3	E, F (A, B)	water	water		18.0	98	Chemie (HOH)

Sequence modifications

A, B: 1 - 306 (UniProt: P0DTD1)

PDB	External Database	Details
Met 0	-	initiating methionine
Leu 307	-	expression tag
Glu 308	-	expression tag
His 309	-	expression tag
His 310	-	expression tag
His 311	-	expression tag
His 312	-	expression tag
His 313	-	expression tag
His 314	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	70055.8
Non-Polymers*	Number of molecules	2
	Total formula weight	903.1
All*	Total formula weight	70958.8

*Water molecules are not included.