3LZV

Structure of Nelfinavir-resistant HIV-1 protease (D30N/N88D) 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)	HIV-1 Protease	polymer	99	10801.8	2	UniProt (P03369) Pfam (PF00077)	HIV-1 M:B_ARV2/SF2	Protease
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) PubChem (44400512) PubChem (44578485) PubChem (23545473) PubChem (52949690) PubChem (213039) PubChem (58330571) PubChem (60170302) PubChem (70329566) PubChem (66725685) PubChem (89334570) PubChem (3001874) PubChem (89394603) PubChem (102206609) PubChem (6320435) PubChem (125136514) PubChem (6320436) PubChem (6320437) PubChem (101897907) PubChem (102206607) PubChem (102206608) PubChem (118243427) PubChem (118243428) PubChem (118243429) PubChem (125136515) PubChem (129010372) PubChem (131632443) PubChem (131667685) PubChem (134694394) PubChem (137704505) PubChem (137704865) PubChem (138631483) PubChem (138631484) PubChem (138631622) PubChem (144227995) PubChem (145507139) PubChem (147231834) PubChem (156183881) PubChem (156183911) PubChem (171370671)
3	D, E, F, G, J (A, B)	PHOSPHATE ION	non-polymer		95.0	5	Chemie (PO4) PubChem (1061)
4	H, I, K (A, B)	ACETATE ION	non-polymer		59.0	3	Chemie (ACT) PubChem (175)
5	L, M (A, B)	water	water		18.0	57	Chemie (HOH)

Sequence modifications

A, B: 1 - 99 (UniProt: P03369)

PDB	External Database	Details
Lys 7	Gln 497	engineered mutation
Asn 30	Asp 520	engineered mutation
Asp 88	Asn 578	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	21603.5
Non-Polymers*	Number of molecules	9
	Total formula weight	1199.7
All*	Total formula weight	22803.2

*Water molecules are not included.