5QBU

Crystal structure of human Cathepsin-S with bound ligand

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	223	24516.5	2	UniProt (P25774) Pfam (PF00112)	Homo sapiens
2	C, D (A, B)	1-[1-(3-{5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)piperidin-4-yl]-3-methyl-1,3-dihydro-2H-benzimidazol-2-one	non-polymer		632.7	2	Chemie (B8J)
3	E, F (A, B)	water	water		18.0	83	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	1265.4
All*	Total formula weight	50298.3

*Water molecules are not included.