6BJD

Crystal Structure of Human Calpain-3 Protease Core in Complex with E-64

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	Calpain-3	polymer	382	44456.2	4	UniProt (P20807) Pfam (PF00648) In PDB	Homo sapiens (Human)	Calcium-activated neutral proteinase 3,CANP 3,Calpain L3,Calpain p94,Muscle-specific calcium-activated neutral protease 3,New calpain 1,nCL-1
2	A, B, C, D	CALCIUM ION	non-polymer		40.1	8	Chemie (CA)
3	A, B, C, D	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
4	A, B, C, D	N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE	non-polymer		360.4	4	Chemie (E64)
5	B	sorbitol	non-polymer		182.2	1	Chemie (SOR)
6		water	water		18.0	86	Chemie (HOH)

Sequence modifications

A, B, C, D: 46 - 419 (UniProt: P20807)

PDB	External Database	Details
Leu 420	-	expression tag
Glu 421	-	expression tag
His 422	-	expression tag
His 423	-	expression tag
His 424	-	expression tag
His 425	-	expression tag
His 426	-	expression tag
His 427	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	177824.7
Non-Polymers*	Number of molecules	17
	Total formula weight	2086.3
All*	Total formula weight	179911.0

*Water molecules are not included.