9PAM

Crystal structure of HCoV-OC43 3CLpro with ALG-097655 (Inhibitor 2)

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, B (A, B)	3C-like proteinase	polymer	302	33390.2	2	UniProt (U3M7V4)	Human coronavirus OC43
2	C, D (A, B)	(1R,2S,3S,6R,7S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-[(2S)-4,4,4-trifluoro-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3-carboxamide (non-preferred name)	non-polymer		579.5	2	Chemie (A1CHJ)
3	E, F (A, B)	water	water		18.0	151	Chemie (HOH)

Sequence modifications

A, B: 1 - 302 (UniProt: U3M7V4)

PDB	External Database	Details
Leu 194	Pro 3440	conflict
Gln 302	Leu 3548	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	66780.5
Non-Polymers*	Number of molecules	2
	Total formula weight	1159.1
All*	Total formula weight	67939.6

*Water molecules are not included.