9G34

The HIV protease inhibitor darunavir binding to the active site of Cryphonectria parasitica endothiapepsin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Endothiapepsin	polymer	330	33813.9	2	UniProt (P11838) In PDB	Cryphonectria parasitica (chestnut blight fungus)	Aspartate protease
2	A, B	(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE	non-polymer		547.7	2	Chemie (017)
3	A, B	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
4	A, B	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
5	B	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
6		water	water		18.0	906	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67627.7
Non-Polymers*	Number of molecules	7
	Total formula weight	1359.6
All*	Total formula weight	68987.4

*Water molecules are not included.