2FQ9

Cathepsin S with 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 (A, B)	cathepsin S	polymer	225	25006.0	2	GenBank (23110962) Pfam (PF00112) UniProt (by SIFTS) (P25774)	Homo sapiens (human)
2	C, D (A, B)	N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETH YL]-L-ALANINAMIDE	non-polymer		490.5	2	Chemie (CRJ)
3	E, F (A, B)	water	water		18.0	249	Chemie (HOH)

Sequence modifications

A, B: 0 - 218 (GenBank: 23110962)

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	980.9
All*	Total formula weight	50993.0

*Water molecules are not included.