2NQI

Calpain 1 proteolytic core inactivated by WR13(R,R), an epoxysuccinyl-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	N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]AMINO}PENT-4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE	non-polymer		600.7	1	Chemie (NQI)
4		water	water		18.0	153	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	680.8
All*	Total formula weight	39485.4

*Water molecules are not included.