6YYO

Structure of Cathepsin S in complex with Compound 1

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, T, V, W (AAA, BBB)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
3	AA, BA, CA, D, DA... (BBB, AAA)	1,2-ETHANEDIOL	non-polymer		62.1	32	Chemie (EDO)
4	H (AAA)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
5	PA, S (BBB, AAA)	6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine	non-polymer		282.3	2	Chemie (Q1K)
6	U (BBB)	CITRATE ANION	non-polymer		189.1	1	Chemie (FLC)
7	QA, RA (AAA, BBB)	water	water		18.0	688	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	40
	Total formula weight	3202.3
All*	Total formula weight	53414.6

*Water molecules are not included.