1K6C

LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE

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)	POL polyprotein	polymer	99	10831.8	2	UniProt (P35963) Pfam (PF00077)	Human immunodeficiency virus 1
2	C, D, E, F, G (A, B)	ACETATE ION	non-polymer		59.0	5	Chemie (ACT)
3	H (B)	N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE	non-polymer		613.8	1	Chemie (MK1)
4	I, J (A, B)	water	water		18.0	119	Chemie (HOH)

Sequence modifications

A, B: 1 - 99 (UniProt: P35963)

PDB	External Database	Details
Lys 7	Gln 63	engineered mutation
Arg 14	Lys 70	engineered mutation
Thr 82	Val 138	engineered mutation
Val 84	Ile 140	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	21663.5
Non-Polymers*	Number of molecules	6
	Total formula weight	909.0
All*	Total formula weight	22572.5

*Water molecules are not included.