4EQJ

Crystal Structure of inactive single chain variant of HIV-1 Protease in Complex with the substrate RT-RH

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	protease, tethered dimer	polymer	203	22169.2	1	UniProt (P03369) Pfam (PF00077) In PDB	HIV-1 M:B_ARV2/SF2 (HIV-1)
2	G	substrate RT-RH	polymer	8	900.9	1	UniProt (Q9YV20) In PDB	Human immunodeficiency virus 1
3	A	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
4	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5		water	water		18.0	76	Chemie (HOH)

Sequence modifications

A: 1 - 99 (UniProt: P03369)

PDB	External Database	Details
Lys 7	Gln 497	engineered mutation
Asn 25	Asp 515	engineered mutation
Leu 67	Cys 557	engineered mutation
Met 95	Cys 585	engineered mutation

A: 101 - 199 (UniProt: P03369)

PDB	External Database	Details
Gly 100	-	linker
Gly 100	-	linker
Ser 100	-	linker
Ser 100	-	linker
Gly 100	-	linker
Lys 107	Gln 497	engineered mutation
Asn 125	Asp 515	engineered mutation
Leu 167	Cys 557	engineered mutation
Met 195	Cys 585	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	23070.2
Non-Polymers*	Number of molecules	7
	Total formula weight	464.5
All*	Total formula weight	23534.7

*Water molecules are not included.