8E4R

Room-temperature X-ray structure of SARS-CoV-2 main protease H41A miniprecursor mutant in complex with GC373

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)	Replicase polyprotein 1ab	polymer	314	34503.3	2	UniProt (P0DTD1) Pfam (PF05409)	Severe acute respiratory syndrome coronavirus 2	pp1ab,ORF1ab polyprotein
2	C, D (A, B)	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	non-polymer		485.6	2	Chemie (K36)
3	E, F (A, B)	water	water		18.0	205	Chemie (HOH)

Sequence modifications

A, B: -5 - 306 (UniProt: P0DTD1)

PDB	External Database	Details
Ser -7	-	expression tag
Gly -6	-	expression tag
Glu 0	Gln 3263	engineered mutation
Ala 41	His 3304	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	69006.5
Non-Polymers*	Number of molecules	2
	Total formula weight	971.1
All*	Total formula weight	69977.6

*Water molecules are not included.