6YYN

Structure of Cathepsin S in complex with Compound 14

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (AAA, BBB)	Cathepsin S	polymer	225	25106.2	2	UniProt (P25774) Pfam (PF00112)	Homo sapiens (Human)
2	C, D (AAA)	CITRATE ANION	non-polymer		189.1	2	Chemie (FLC)
3	E, L (AAA, BBB)	~{N}-methyl-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonyl-propanamide	non-polymer		353.4	2	Chemie (Q1E)
4	F, G, H, I, J... (BBB)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
5	M, N (AAA, BBB)	water	water		18.0	478	Chemie (HOH)

Sequence modifications

AAA, BBB: -1 - 217 (UniProt: P25774)

PDB	External Database	Details
His 218	-	expression tag
His 219	-	expression tag
His 220	-	expression tag
His 221	-	expression tag
His 222	-	expression tag
His 223	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	50212.3
Non-Polymers*	Number of molecules	10
	Total formula weight	1661.4
All*	Total formula weight	51873.7

*Water molecules are not included.