4OBH

Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant (L449F)

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	1207.3	2	UniProt (P03349) In PDB	Human immunodeficiency virus 1
3	E, A, D	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
4	A, B, C, D	1,2-ETHANEDIOL	non-polymer		62.1	13	Chemie (EDO)
5	C	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
6	D	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
7		water	water		18.0	215	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
Ile 64	Val 554	engineered mutation

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

PDB	External Database	Details
Phe 6	Leu 451	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	45673.9
Non-Polymers*	Number of molecules	21
	Total formula weight	1513.5
All*	Total formula weight	47187.4

*Water molecules are not included.