5DP4

Crystal Structure of EV71 3C Proteinase in complex with compound 3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	3C proteinase	polymer	192	21391.5	4	UniProt (A9XG43) Pfam (PF00548) In PDB	Enterovirus A71
2	A, B, C, D	ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate	non-polymer		372.5	4	Chemie (5E8)
3		water	water		18.0	363	Chemie (HOH)

Sequence modifications

A, B, C, D: 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	4
	Total formula weight	85565.9
Non-Polymers*	Number of molecules	4
	Total formula weight	1489.8
All*	Total formula weight	87055.8

*Water molecules are not included.