6P9A

HIV-1 Protease multiple mutant PRS5B with Darunavir

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, A)	HIV-1 Protease	polymer	99	10720.6	2	UniProt (P03367) Pfam (PF00077)	Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI) (HIV-1)	Retropepsin
2	C, D, E, G (B, A)	PHOSPHATE ION	non-polymer		95.0	4	Chemie (PO4)
3	F (A)	(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE	non-polymer		547.7	1	Chemie (017)
4	H, I (B, A)	water	water		18.0	146	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Lys 7	Gln 507	engineered mutation
Ile 10	Leu 510	engineered mutation
Ile 11	Val 511	engineered mutation
Asp 21	Glu 521	engineered mutation
Val 22	Ala 522	engineered mutation
Met 24	Leu 524	engineered mutation
Asn 35	Glu 535	engineered mutation
Ile 36	Met 536	engineered mutation
Asp 37	Ser 537	engineered mutation
Lys 41	Arg 541	engineered mutation
Leu 46	Met 546	engineered mutation
Val 54	Ile 554	engineered mutation
His 61	Gln 561	engineered mutation
Val 62	Ile 562	engineered mutation
Pro 63	Leu 563	engineered mutation
Val 64	Ile 564	engineered mutation
Val 66	Ile 566	engineered mutation
Ala 67	Cys 567	engineered mutation
Val 71	Ala 571	engineered mutation
Thr 72	Ile 572	engineered mutation
Thr 73	Gly 573	engineered mutation
Asp 83	Asn 583	engineered mutation
Val 84	Ile 584	engineered mutation
Ala 95	Cys 595	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	21441.1
Non-Polymers*	Number of molecules	5
	Total formula weight	927.5
All*	Total formula weight	22368.7

*Water molecules are not included.