4PI3

Crystal structure analysis of cruzain bound to vinyl sulfone analog of WRR-483 (WRR-666)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Cruzipain	polymer	216	22772.2	2	UniProt (P25779) Pfam (PF00112) In PDB	Trypanosoma cruzi	Cruzaine,Major cysteine proteinase
2	A, B	N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide	non-polymer		599.7	2	Chemie (2V5)
3		water	water		18.0	459	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	45544.4
Non-Polymers*	Number of molecules	2
	Total formula weight	1199.5
All*	Total formula weight	46743.9

*Water molecules are not included.