3GGU

HIV PR drug resistant patient's variant in complex 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 (A, B)	Protease	polymer	99	10953.7	2	UniProt (P03367) Pfam (PF00077)	Human immunodeficiency virus type 1 (BRU ISOLATE)
2	C (B)	(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)
3	D, E (A, B)	water	water		18.0	142	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ile 10	Leu 510	engineered mutation
Val 13	Ile 513	engineered mutation
Glu 16	Gly 516	engineered mutation
Phe 33	Leu 533	engineered mutation
Leu 36	Met 536	engineered mutation
Thr 37	Ser 537	engineered mutation
Ser 39	Pro 539	engineered mutation
Arg 45	Lys 545	engineered mutation
Leu 46	Met 546	engineered mutation
Val 54	Ile 554	engineered mutation
Arg 55	Lys 555	engineered mutation
Val 62	Ile 562	engineered mutation
Pro 63	Leu 563	engineered mutation
Val 71	Ala 571	engineered mutation
Asp 73	Gly 573	engineered mutation
Thr 82	Val 582	engineered mutation
Val 84	Ile 584	engineered mutation
Val 89	Leu 589	engineered mutation
Met 90	Leu 590	engineered mutation
Leu 93	Ile 593	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	21907.4
Non-Polymers*	Number of molecules	1
	Total formula weight	547.7
All*	Total formula weight	22455.1

*Water molecules are not included.