2R9O

Cathepsin S complexed with Compound 8

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)	Cathepsin S	polymer	222	24697.7	2	UniProt (P25774) Pfam (PF00112)	Homo sapiens (human)
2	C, D (A, B)	N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide	non-polymer		456.6	2	Chemie (Y15)
3	E, F (A, B)	water	water		18.0	337	Chemie (HOH)

Sequence modifications

A, B: 1 - 217 (UniProt: P25774)

PDB	External Database	Details
His 218	-	expression tag
His 219	-	expression tag
His 220	-	expression tag
His 221	-	expression tag
His 222	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	49395.3
Non-Polymers*	Number of molecules	2
	Total formula weight	913.2
All*	Total formula weight	50308.5

*Water molecules are not included.