3H6S

Structure of clitocypin - cathepsin V complex

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	Cathepsin L2	polymer	221	24087.1	4	UniProt (O60911) Pfam (PF00112) In PDB	Homo sapiens (human)	Cathepsin V, Cathepsin U
2	E, F, G, H	Clitocypin analog	polymer	152	16914.7	4	UniProt (Q3Y9I6) Pfam (PF10467) In PDB	Clitocybe nebularis (Clouded agaric)
3	A, B, C, D, F	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
4		water	water		18.0	857	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 221 (UniProt: O60911)

PDB	External Database	Details
Gln 108	Asn 221	engineered mutation
Asp 179	Asn 292	engineered mutation

E, F, G, H: 1 - 152 (UniProt: Q3Y9I6)

PDB	External Database	Details
Sme 82	Leu 82	engineered mutation
Sme 89	Ile 89	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	164007.0
Non-Polymers*	Number of molecules	6
	Total formula weight	576.4
All*	Total formula weight	164583.3

*Water molecules are not included.