4RVI

Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL0519

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	HIV-1 protease	polymer	99	10840.7	4	UniProt (Q9J006) Pfam (PF00077) In PDB	Human immunodeficiency virus 1
2	A, C	(3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate	non-polymer		604.7	2	Chemie (G52)
3		water	water		18.0	213	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 99 (UniProt: Q9J006)

PDB	External Database	Details
Tyr 42	Trp 42	engineered mutation
Cys 95	Phe 95	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	43362.8
Non-Polymers*	Number of molecules	2
	Total formula weight	1209.4
All*	Total formula weight	44572.3

*Water molecules are not included.