3DCK

X-ray structure of D25N chemical analogue of HIV-1 protease complexed with ketomethylene isostere inhibitor

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)	Chemical analogue HIV-1 protease	polymer	99	10759.6	2	Pfam (PF00077) UniProt (by SIFTS) (O38732)
2	C (B)	(2S)-2-{[(2R,5S)-5-{[(2S,3S)-2-{[(2S,3R)-2-(acetylamino)-3-hydroxybutanoyl]amino}-3-methylpentanoyl]amino}-2-butyl-4-oxononanoyl]amino}-N~1~-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide	non-polymer		783.0	1	BIRD (PRD_001174) Chemie (KVI)
3	D, E (A, B)	water	water		18.0	83	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	21519.3
Non-Polymers*	Number of molecules	1
	Total formula weight	783.0
All*	Total formula weight	22302.3

*Water molecules are not included.