4P6E

Crystal Structure of Human Cathepsin S Bound to a Non-covalent 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	230	25647.7	2	UniProt (P25774) Pfam (PF00112) In PDB	Homo sapiens (Human)
2	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
3	A, B	N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide	non-polymer		392.5	2	Chemie (2FC)
4		water	water		18.0	417	Chemie (HOH)

Sequence modifications

A, B: -5 - 217 (UniProt: P25774)

PDB	External Database	Details
Glu 218	-	expression tag
His 219	-	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	51295.4
Non-Polymers*	Number of molecules	3
	Total formula weight	881.1
All*	Total formula weight	52176.4

*Water molecules are not included.