6YYQ

Structure of Cathepsin S in complex with Compound 3

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	AAA, BBB, CCC, DDD	Cathepsin S	polymer	225	25106.2	4	UniProt (P25774) Pfam (PF00112) In PDB	Homo sapiens (Human)
2	AAA, BBB, CCC	(6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine	non-polymer		225.3	3	Chemie (Q1Q)
3		water	water		18.0	201	Chemie (HOH)

Sequence modifications

AAA, BBB, CCC, DDD: -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	4
	Total formula weight	100424.7
Non-Polymers*	Number of molecules	3
	Total formula weight	675.9
All*	Total formula weight	101100.6

*Water molecules are not included.