3H89

A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 4)

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, E...	Cathepsin L1	polymer	220	24191.7	6	UniProt (P07711) Pfam (PF00112) In PDB	Homo sapiens (human)	Major excreted protein, MEP, Cathepsin L1 heavy chain, Cathepsin L1 light chain
2	A, B, C, D, E...	N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide	non-polymer		957.2	6	Chemie (NSX)
3		water	water		18.0	226	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	145150.2
Non-Polymers*	Number of molecules	6
	Total formula weight	5743.0
All*	Total formula weight	150893.2

*Water molecules are not included.