5C1Y

Crystal structure of EV71 3C Proteinase in complex with Compound 1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	3C proteinase	polymer	192	21391.5	1	UniProt (A9XG43) Pfam (PF00548) In PDB	Enterovirus A71
2	A	propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate	non-polymer		391.5	1	Chemie (GHY)
3		water	water		18.0	57	Chemie (HOH)

Sequence modifications

A: 1 - 183 (UniProt: A9XG43)

PDB	External Database	Details
Met 0	-	expression tag
Leu 184	-	expression tag
Glu 185	-	expression tag
His 186	-	expression tag
His 187	-	expression tag
His 188	-	expression tag
His 189	-	expression tag
His 190	-	expression tag
His 191	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	21391.5
Non-Polymers*	Number of molecules	1
	Total formula weight	391.5
All*	Total formula weight	21782.9

*Water molecules are not included.