2R9C

Calpain 1 proteolytic core inactivated by ZLAK-3001, an alpha-ketoamide

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 (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	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
4	A	benzyl (S)-1-((2S,3S)-1-(3-(6-amino-9H-purin-9-yl)propylamino)-2-hydroxy-1-oxopentan-3-ylamino)-4-methyl-1-oxopentan-2-ylcarbamate	non-polymer		554.6	1	Chemie (GRD)
5	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6		water	water		18.0	305	Chemie (HOH)

Sequence modifications

A: 27 - 356 (UniProt: P97571)

PDB	External Database	Details
Met 26	-	expression tag
Leu 357	-	expression tag
Glu 358	-	expression tag
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	8
	Total formula weight	925.3
All*	Total formula weight	39729.9

*Water molecules are not included.