4GHT

Crystal structure of EV71 3C proteinase in complex with AG7088

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)	3C proteinase	polymer	192	21391.5	2	UniProt (A9XG43) Pfam (PF00548)	Human enterovirus 71
2	C, D (A, B)	4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER	non-polymer		600.7	2	Chemie (AG7)
3	E, F (A, B)	water	water		18.0	194	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	42783.0
Non-Polymers*	Number of molecules	2
	Total formula weight	1201.4
All*	Total formula weight	43984.3

*Water molecules are not included.