5IYT

Complex structure of EV-B93 main protease 3C with N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-2Z-butenamide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	EV-B93 main protease 3C	polymer	191	21395.5	2	UniProt (O91734) Pfam (PF00548) In PDB	Echovirus 1 (strain Human/Egypt/Farouk/1951) (E-1)
2	B	N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide	non-polymer		322.4	1	Chemie (NZN)
3		water	water		18.0	182	Chemie (HOH)

Sequence modifications

A, B: 1 - 183 (UniProt: O91734)

PDB	External Database	Details
Met -1	-	initiating methionine
Lys 0	-	expression tag
Val 95	Ala 1634	conflict
Val 137	Met 1676	engineered mutation
His 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	2
	Total formula weight	42791.0
Non-Polymers*	Number of molecules	1
	Total formula weight	322.4
All*	Total formula weight	43113.4

*Water molecules are not included.