4TYB

An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline

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	Polyprotein	polymer	566	62792.0	4	UniProt (D0PY27) Pfam (PF00998) In PDB	Hepatitis C virus
2	A, B, C, D	(2R)-morpholin-4-yl(phenyl)ethanenitrile	non-polymer		202.3	4	Chemie (3B1)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	251167.9
Non-Polymers*	Number of molecules	4
	Total formula weight	809.0
All*	Total formula weight	251976.9

*Water molecules are not included.