2QD7

HIV-1 Protease Mutant V82A with potent Antiviral inhibitor GRL-98065

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Protease	polymer	99	10712.6	2	UniProt (P03367) Pfam (PF00077) In PDB	Human immunodeficiency virus 1
2	A, B	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
3	A	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
4	A, B	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5	B	(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE	non-polymer		576.7	1	Chemie (065)
6		water	water		18.0	222	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Lys 7	Gln 507	engineered mutation
Ile 33	Leu 533	engineered mutation
Ile 63	Leu 563	engineered mutation
Ala 67	Cys 567	engineered mutation
Ala 82	Val 582	engineered mutation
Ala 95	Cys 595	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	21425.2
Non-Polymers*	Number of molecules	7
	Total formula weight	1107.1
All*	Total formula weight	22532.3

*Water molecules are not included.