7T9O

HIV Integrase in complex with Compound-25

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	180	19685.3	1	UniProt (Q76353) Pfam (PF00665) UniProt (by SIFTS) (P12497) In PDB	Human immunodeficiency virus 1
2	A	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
3	A	(2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid	non-polymer		562.7	1	Chemie (GEI)
4	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5		water	water		18.0	62	Chemie (HOH)

Sequence modifications

A: 47 - 209 (UniProt: Q76353)

PDB	External Database	Details
Met 30	-	expression tag
Gly 31	-	expression tag
Ser 32	-	expression tag
Ser 33	-	expression tag
His 34	-	expression tag
His 35	-	expression tag
His 36	-	expression tag
His 37	-	expression tag
His 38	-	expression tag
His 39	-	expression tag
Ser 40	-	expression tag
Ser 41	-	expression tag
Gly 42	-	expression tag
Leu 43	-	expression tag
Val 44	-	expression tag
Pro 45	-	expression tag
Arg 46	-	expression tag
Ser 48	Glu 48	conflict
His 49	Ala 49	conflict
Ser 56	Cys 56	conflict
Asp 139	Phe 139	conflict
His 185	Phe 185	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	19685.3
Non-Polymers*	Number of molecules	5
	Total formula weight	943.0
All*	Total formula weight	20628.3

*Water molecules are not included.