4OBF

Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease Variant (D30N/N88D) in Complex with the p1-p6 substrate variant (S451N)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	HIV-1 Protease	polymer	99	10814.8	4	UniProt (P03369) Pfam (PF00077) In PDB	Human immunodeficiency virus type 1 (HIV-1)	PR, Retropepsin
2	E, F	p1-p6 peptide	polymer	10	1200.3	2	UniProt (P03349) In PDB	Human immunodeficiency virus 1
3	A, B, C, D	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
4	A, B, C, D, E	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
5	A, D	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
6	A	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
7		water	water		18.0	188	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Lys 7	Gln 497	engineered mutation
Asn 25	Asp 515	engineered mutation
Asn 30	Asp 520	engineered mutation
Ile 64	Val 554	engineered mutation
Asp 88	Asn 578	engineered mutation

E, F: 1 - 10 (UniProt: P03349)

PDB	External Database	Details
Asn 8	Ser 453	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	45659.9
Non-Polymers*	Number of molecules	16
	Total formula weight	1176.0
All*	Total formula weight	46835.9

*Water molecules are not included.