3S43

HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug amprenavir

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Protease	polymer	99	10755.7	1	UniProt (Q7SSE3) Pfam (PF00077)	Human immunodeficiency virus 1
2	B (B)	Protease	polymer	99	10754.7	1	UniProt (Q7SSE3) Pfam (PF00077) UniProt (by SIFTS) (Q7SSI0)	Human immunodeficiency virus 1
3	C (A)	{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER	non-polymer		505.6	1	Chemie (478)
4	D, E, F, G, H... (A, B)	IODIDE ION	non-polymer		126.9	17	Chemie (IOD)
5	L, V (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6	W, X (A, B)	water	water		18.0	126	Chemie (HOH)

Sequence modifications

A: 1 - 99 (UniProt: Q7SSE3)

PDB	External Database	Details
Lys 7	Gln 7	engineered mutation
Ile 32	Val 32	engineered mutation
Ile 33	Leu 33	engineered mutation
Val 47	Ile 47	engineered mutation
Ile 63	Leu 63	engineered mutation
Ala 67	Cys 67	engineered mutation
His 69	Tyr 69	engineered mutation
Ala 95	Ser 95	engineered mutation

B: 101 - 199 (UniProt: Q7SSE3)

PDB	External Database	Details
Lys 107	Gln 7	engineered mutation
Ile 132	Val 32	engineered mutation
Ile 133	Leu 33	engineered mutation
Val 147	Ile 47	engineered mutation
Ile 163	Leu 63	engineered mutation
Ala 167	Cys 67	engineered mutation
His 169	Tyr 69	engineered mutation
Ala 195	Ser 95	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	21510.4
Non-Polymers*	Number of molecules	20
	Total formula weight	2847.2
All*	Total formula weight	24357.6

*Water molecules are not included.