8I4S

the complex structure of SARS-CoV-2 Mpro with D8

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	ORF1a polyprotein	polymer	335	37103.1	1	UniProt (A0A8B1JQ63) Pfam (PF05409) UniProt (by SIFTS) (P0DTD1) In PDB	Severe acute respiratory syndrome coronavirus 2
2	A	3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one	non-polymer		358.4	1	Chemie (OU3)
3		water	water		18.0	152	Chemie (HOH)

Sequence modifications

A: -4 - 306 (UniProt: A0A8B1JQ63)

PDB	External Database	Details
Met -18	-	initiating methionine
Gly -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Ser -8	-	expression tag
Ser -7	-	expression tag
Gly -6	-	expression tag
Met -5	-	expression tag
Gly 307	-	expression tag
Pro 308	-	expression tag
Leu 309	-	expression tag
Glu 310	-	expression tag
His 311	-	expression tag
His 312	-	expression tag
His 313	-	expression tag
His 314	-	expression tag
His 315	-	expression tag
His 316	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37103.1
Non-Polymers*	Number of molecules	1
	Total formula weight	358.4
All*	Total formula weight	37461.5

*Water molecules are not included.