7QBM

Structure of the activation intermediate of cathepsin K in complex with the 3-cyano-3-aza-beta-amino acid inhibitor Gu2602

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Cathepsin K	polymer	216	23680.7	1	UniProt (P43235) Pfam (PF00112) In PDB	Homo sapiens (human)	Cathepsin O,Cathepsin O2,Cathepsin X
2	P	Cathepsin K	polymer	74	8979.2	1	UniProt (P43235) Pfam (PF08246) In PDB	Homo sapiens (human)	Cathepsin O,Cathepsin O2,Cathepsin X
3	A	~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate	non-polymer		320.4	1	Chemie (A0U)
4	P	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
5	P	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
6		water	water		18.0	227	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	32659.9
Non-Polymers*	Number of molecules	3
	Total formula weight	403.7
All*	Total formula weight	33063.6

*Water molecules are not included.