5QC4

Crystal structure of human Cathepsin-S with bound ligand

Replaces:  3KWN

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	223	24516.5	2	UniProt (P25774) Pfam (PF00112) In PDB	Homo sapiens (Human)
2	A, B	2-[5-[5-ethanoyl-1-[(2~{R})-2-oxidanyl-3-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone	non-polymer		651.8	2	Chemie (BC7)
3		water	water		18.0	542	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ser 25	Cys 139	engineered mutation
Leu 218	-	expression tag
Gln 219	-	expression tag
Gly 220	-	expression tag
Gly 221	-	expression tag
Gly 222	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	49032.9
Non-Polymers*	Number of molecules	2
	Total formula weight	1303.6
All*	Total formula weight	50336.5

*Water molecules are not included.