7K0G

1.85 A resolution structure of SARS-CoV 3CL protease in complex with deuterated GC376

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Replicase polyprotein 1a	polymer	310	34460.3	1	UniProt (P0C6U8) Pfam (PF05409)	Human SARS coronavirus (SARS-CoV)	pp1a,ORF1a polyprotein
2	B (A)	(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	1	Chemie (K36)
3	C (A)	(1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	non-polymer		485.6	1	Chemie (B1S)
4	D (A)	water	water		18.0	127	Chemie (HOH)

Sequence modifications

A: 1 - 303 (UniProt: P0C6U8)

PDB	External Database	Details
Met -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34460.3
Non-Polymers*	Number of molecules	2
	Total formula weight	971.1
All*	Total formula weight	35431.4

*Water molecules are not included.