2R9F

Calpain 1 proteolytic core inactivated by ZLAK-3002, 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 (A)	Calpain-1 catalytic subunit	polymer	339	38804.6	1	UniProt (P97571) Pfam (PF00648)	Rattus norvegicus (Rat)	Calpain-1 large subunit, Calcium-activated neutral proteinase 1, CANP 1, Calpain mu-type, muCANP, Micromolar-calpain
2	B, C (A)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
3	D, E, F (A)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
4	G (A)	benzyl [(1S)-1-{[(1S,2S)-1-ethyl-2-hydroxy-3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-oxopropyl]carbamoyl}-3-methylbutyl]carbamate	non-polymer		519.7	1	Chemie (K2Z)
5	H, I (A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6	J (A)	water	water		18.0	268	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	890.4
All*	Total formula weight	39694.9

*Water molecules are not included.