9DU3

SARS-CoV-2 Mpro in complex with compound 1

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 (A)	3C-like proteinase nsp5	polymer	315	35027.9	1	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	B (A)	N-[(2S)-3-cyclopropyl-1-({(2R)-1-hydroxy-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide	non-polymer		442.5	1	Chemie (A1BCX)
3	C (A)	water	water		18.0	109	Chemie (HOH)

Sequence modifications

A: 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	1
	Total formula weight	35027.9
Non-Polymers*	Number of molecules	1
	Total formula weight	442.5
All*	Total formula weight	35470.4

*Water molecules are not included.