3T3C

Structure of HIV PR resistant patient derived mutant (comprising 22 mutations) in complex with DRV

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)	HIV-1 protease	polymer	99	10672.5	2	UniProt (P03367) Pfam (PF00077)	Human immunodeficiency virus type 1 (HIV-1)
2	C (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)
3	D, F (A, B)	BETA-MERCAPTOETHANOL	non-polymer		78.1	2	Chemie (BME)
4	E, G (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
5	H, I (A, B)	water	water		18.0	143	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ser 4	Thr 504	engineered mutation
Val 10	Leu 510	engineered mutation
Ala 13	Ile 513	engineered mutation
Arg 14	Lys 514	engineered mutation
Ile 20	Lys 520	engineered mutation
Val 22	Ala 522	engineered mutation
Ile 33	Leu 533	engineered mutation
Asp 35	Glu 535	engineered mutation
Ile 36	Met 536	engineered mutation
Asp 37	Ser 537	engineered mutation
Lys 41	Arg 541	engineered mutation
Ser 43	Lys 543	engineered mutation
Ala 48	Gly 548	engineered mutation
Val 54	Ile 554	engineered mutation
Phe 66	Ile 566	engineered mutation
Lys 69	His 569	engineered mutation
Ser 74	Thr 574	engineered mutation
Ala 82	Val 582	engineered mutation
Val 84	Ile 584	engineered mutation
Ile 89	Leu 589	engineered mutation
Met 90	Leu 590	engineered mutation
Ser 91	Thr 591	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	21344.9
Non-Polymers*	Number of molecules	5
	Total formula weight	896.1
All*	Total formula weight	22241.0

*Water molecules are not included.