2FRA

Human Cathepsin S with CRA-27934, a Nitrile Inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	cathepsin S	polymer	225	25006.0	2	UniProt (P25774) Pfam (PF00112) In PDB	Homo sapiens (human)
2	A, B	N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE	non-polymer		485.5	2	Chemie (CRV)
3		water	water		18.0	236	Chemie (HOH)

Sequence modifications

A, B: 0 - 217 (UniProt: P25774)

PDB	External Database	Details
Gly 188	-	EXPRESSION TAG
His 189	-	EXPRESSION TAG
His 220	-	EXPRESSION TAG
His 221	-	EXPRESSION TAG
His 222	-	EXPRESSION TAG
His 223	-	EXPRESSION TAG
His 224	-	EXPRESSION TAG

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	50012.1
Non-Polymers*	Number of molecules	2
	Total formula weight	971.0
All*	Total formula weight	50983.1

*Water molecules are not included.