5KAO

Crystal structure of wild type HIV-1 protease in complex with GRL-10413

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	10725.6	2	UniProt (Q72874) Pfam (PF00077) UniProt (by SIFTS) (P04585) In PDB	Human immunodeficiency virus 1
2	A	[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{N}-[(2~{S},3~{R})-1-(3-chloranyl-4-methoxy-phenyl)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]carbamate	non-polymer		627.1	1	Chemie (G43)
3		water	water		18.0	140	Chemie (HOH)

Sequence modifications

A, B: 1 - 99 (UniProt: Q72874)

PDB	External Database	Details
Ala 67	Cys 67	engineered mutation
Ala 95	Cys 95	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	21451.2
Non-Polymers*	Number of molecules	1
	Total formula weight	627.1
All*	Total formula weight	22078.3

*Water molecules are not included.