29DA

Crystal structure of enterovirus D68-3Cpro in complex with RK-496

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Genome polyprotein	polymer	189	21024.9	1	UniProt (A1E4A3)	Enterovirus
2	B (A)	1-[(3~{S},6~{S},7~{R})-7-oxidanyl-4,8-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-5,9-diazabicyclo[14.3.1]icosa-1(19),16(20),17-trien-3-yl]-3-[2,2,2-tris(fluoranyl)ethyl]urea	non-polymer		555.6	1	Chemie (A1JQY)
3	C (A)	water	water		18.0	58	Chemie (HOH)

Sequence modifications

A: 1 - 183 (UniProt: A1E4A3)

PDB	External Database	Details
Lys 184	-	expression tag
His 185	-	expression tag
His 186	-	expression tag
His 187	-	expression tag
His 188	-	expression tag
His 189	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	21024.9
Non-Polymers*	Number of molecules	1
	Total formula weight	555.6
All*	Total formula weight	21580.5

*Water molecules are not included.