3LXS

Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (WRR483)

Replaces:  2EFM

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, C)	Cruzain	polymer	215	22715.1	2	UniProt (P25779) Pfam (PF00112)	Trypanosoma cruzi	CRUZIPAIN, CRUZAINE, Major cysteine proteinase
2	C, M (A, C)	(Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMID E	non-polymer		583.7	2	Chemie (4MC)
3	D, E, F, G, H... (A, C)	1,2-ETHANEDIOL	non-polymer		62.1	17	Chemie (EDO)
4	AA, BA, I, J, K... (C, A)	SULFATE ION	non-polymer		96.1	7	Chemie (SO4)
5	CA, DA (A, C)	water	water		18.0	485	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	45430.3
Non-Polymers*	Number of molecules	26
	Total formula weight	2895.1
All*	Total formula weight	48325.4

*Water molecules are not included.