4KLB

Crystal Structure of Cruzain in complex with the non-covalent inhibitor Nequimed176

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E	Cruzipain	polymer	215	22715.1	5	UniProt (P25779) Pfam (PF00112) In PDB	Trypanosoma cruzi	Cruzaine, Major cysteine proteinase
2	A, B, C	2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide	non-polymer		283.3	3	Chemie (1RV)
3		water	water		18.0	109	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	113575.7
Non-Polymers*	Number of molecules	3
	Total formula weight	850.0
All*	Total formula weight	114425.7

*Water molecules are not included.