1A94

STRUCTURAL BASIS FOR SPECIFICITY OF RETROVIRAL PROTEASES

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, D, E	PROTEASE	polymer	99	10740.6	4	UniProt (P03367) Pfam (PF00077) In PDB	Human immunodeficiency virus 1
2	A, E	N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide	non-polymer		833.1	2	BIRD (PRD_000349) Chemie (0Q4)
3		water	water		18.0	181	Chemie (HOH)

Sequence modifications

A, B, D, E: 1 - 99 (UniProt: P03367)

PDB	External Database	Details
Lys 7	Gln 75	engineered mutation
Ile 33	Leu 101	engineered mutation
Glu 43	Lys 111	engineered mutation
Ile 63	Leu 131	engineered mutation
Ala 67	Cys 135	engineered mutation
Ala 95	Cys 163	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	42962.4
Non-Polymers*	Number of molecules	2
	Total formula weight	1666.1
All*	Total formula weight	44628.5

*Water molecules are not included.