2G8J

Calpain 1 proteolytic core in complex with SNJ-1945, a alpha-ketoamide-type inhibitor.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Calpain-1 catalytic subunit	polymer	339	38804.6	1	UniProt (P97571) Pfam (PF00648) In PDB	Rattus norvegicus (Norway rat)	Calpain-1 large subunit, Calcium-activated neutral proteinase 1, CANP 1, Calpain mu-type, muCANP, Micromolar-calpain
2	A	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
3	A	((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-DIOXOPROPYL)AMINO)CARBONYL)-3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-3-OXAPENTYL ESTER	non-polymer		491.6	1	Chemie (D7G)
4		water	water		18.0	243	Chemie (HOH)

Sequence modifications

A: 27 - 356 (UniProt: P97571)

PDB	External Database	Details
Met 26	-	initiating methionine
Leu 357	-	cloning artifact
Glu 358	-	cloning artifact
His 359	-	expression tag
His 360	-	expression tag
His 361	-	expression tag
His 362	-	expression tag
His 363	-	expression tag
His 364	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	38804.6
Non-Polymers*	Number of molecules	3
	Total formula weight	571.7
All*	Total formula weight	39376.3

*Water molecules are not included.