3BOW

Structure of M-calpain in complex with Calpastatin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Calpain-2 catalytic subunit	polymer	714	81577.8	1	UniProt (Q07009) Pfam (PF00648) Pfam (PF01067) Pfam (PF13833) In PDB	Rattus norvegicus (brown rat rat rats)	Calpain-2 large subunit, Calcium-activated neutral proteinase 2, CANP 2, Calpain M-type, M-calpain, Millimolar-calpain
2	B	Calpain small subunit 1	polymer	184	21305.0	1	UniProt (Q64537) Pfam (PF13833) In PDB	Rattus norvegicus (brown rat rat rats)	CSS1, Calcium-dependent protease small subunit 1, Calcium-dependent protease small subunit, CDPS, Calpain regulatory subunit, Calcium-activated neutral proteinase small subunit, CANP small subunit
3	C	Calpastatin	polymer	95	10765.7	1	UniProt (P27321) Pfam (PF00748) In PDB	Rattus norvegicus (brown rat rat rats)	Calpain inhibitor
4	A, B	CALCIUM ION	non-polymer		40.1	10	Chemie (CA)
5		water	water		18.0	176	Chemie (HOH)

Sequence modifications

A: 1 - 700 (UniProt: Q07009)

PDB	External Database	Details
Ser 105	Cys 105	engineered mutation
Gly 701	-	expression tag
Lys 702	-	expression tag
Leu 703	-	expression tag
Ala 704	-	expression tag
Ala 705	-	expression tag
Ala 706	-	expression tag
Leu 707	-	expression tag
Glu 708	-	expression tag
His 709	-	expression tag
His 710	-	expression tag
His 711	-	expression tag
His 712	-	expression tag
His 713	-	expression tag
His 714	-	expression tag

B: 88 - 270 (UniProt: Q64537)

PDB	External Database	Details
Met 87	-	expression tag

C: 571 - 664 (UniProt: P27321)

PDB	External Database	Details
Met 570	-	expression tag
Pro 646	Leu 646	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	113648.5
Non-Polymers*	Number of molecules	10
	Total formula weight	400.8
All*	Total formula weight	114049.3

*Water molecules are not included.