7RQ0

HIV Integrase CORE domain in complex with 2-{2-[2-(3-{[4-(2-{[(3-{2-[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl)piperazin-1-yl]methyl}phenyl)ethynyl]-5-methyl-1-benzofuran-3-yl}acetic acid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Integrase	polymer	163	17841.3	2	UniProt (Q76353) Pfam (PF00665) UniProt (by SIFTS) (P12497) In PDB	Human immunodeficiency virus 1 (HIV-1)
2	A, B	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
3	A, B	IODIDE ION	non-polymer		126.9	5	Chemie (IOD)
4	B	{2-[(3-{[4-(2-{[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl)piperazin-1-yl]methyl}phenyl)ethynyl]-5-methyl-1-benzofuran-3-yl}acetic acid	non-polymer		733.9	1	Chemie (6I2)
5		water	water		18.0	59	Chemie (HOH)

Sequence modifications

A, B: 50 - 212 (UniProt: Q76353)

PDB	External Database	Details
Glu 53	Gln 53	conflict
Ser 56	Cys 56	conflict
Glu 131	Trp 131	conflict
Lys 185	Phe 185	conflict
Glu 209	Gln 209	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	35682.6
Non-Polymers*	Number of molecules	12
	Total formula weight	1944.7
All*	Total formula weight	37627.3

*Water molecules are not included.