6NUJ

HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor BI-224436

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Integrase	polymer	166	18443.7	1	UniProt (F2WR52) Pfam (PF00665) In PDB	Human immunodeficiency virus 1
2	A	(2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid	non-polymer		442.5	1	Chemie (L3D)
3		water	water		18.0	53	Chemie (HOH)

Sequence modifications

A: 50 - 212 (UniProt: F2WR52)

PDB	External Database	Details
Gly 47	-	expression tag
Ser 48	-	expression tag
His 49	-	expression tag
His 185	Phe 185	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	18443.7
Non-Polymers*	Number of molecules	1
	Total formula weight	442.5
All*	Total formula weight	18886.2

*Water molecules are not included.