6YYR

Structure of Cathepsin S in complex with Compound 20b

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, E, F, G... (AAA, BBB)	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
3	H, M (AAA, BBB)	CITRATE ANION	non-polymer		189.1	2	Chemie (FLC)
4	I, N, O (AAA, BBB)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
5	J, P (AAA, BBB)	(2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide	non-polymer		477.5	2	Chemie (Q1N)
6	Q, R (AAA, BBB)	water	water		18.0	878	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	14
	Total formula weight	2055.9
All*	Total formula weight	52268.3

*Water molecules are not included.