4P6G

Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Cathepsin S	polymer	226	25135.1	4	UniProt (P25774) Pfam (PF00112)	Homo sapiens (Human)
2	E, F, G, H (A, B, C, D)	(3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl methylcarbamate	non-polymer		484.5	4	Chemie (2FZ)
3	I, J, K, L (A, B, C, D)	water	water		18.0	894	Chemie (HOH)

Sequence modifications

A, B, C, D: 0 - 217 (UniProt: P25774)

PDB	External Database	Details
Glu 218	-	expression tag
Gly 219	-	expression tag
His 220	-	expression tag
His 221	-	expression tag
His 222	-	expression tag
His 223	-	expression tag
His 224	-	expression tag
His 225	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	100540.6
Non-Polymers*	Number of molecules	4
	Total formula weight	1938.1
All*	Total formula weight	102478.6

*Water molecules are not included.