4WQ2

Human calpain PEF(S) with (Z)-3-(6-bromondol-3-yl)-2-mercaptoacrylic acid bound

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Calpain small subunit 1	polymer	173	20016.6	2	UniProt (P04632)	Homo sapiens (Human)	CSS1,Calcium-activated neutral proteinase small subunit,CANP small subunit,Calcium-dependent protease small subunit,CDPS,Calcium-dependent protease small subunit 1,Calpain regulatory subunit
2	C, J (A, B)	(2Z)-3-(6-bromo-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid	non-polymer		298.2	2	Chemie (3SU)
3	D, E, F, G, K... (A, B)	CALCIUM ION	non-polymer		40.1	8	Chemie (CA)
4	H, I, O, P (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
5	Q, R (A, B)	water	water		18.0	157	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	40033.2
Non-Polymers*	Number of molecules	14
	Total formula weight	1165.2
All*	Total formula weight	41198.4

*Water molecules are not included.