3VQP

HIV-1 IN core domain in complex with 2,3-dihydro-1,4-benzodioxin-5-ylmethanol

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	POL polyprotein	polymer	158	17248.5	2	UniProt (Q72498) Pfam (PF00665) In PDB	Human immunodeficiency virus 1
2	A, B	CADMIUM ION	non-polymer		112.4	4	Chemie (CD)
3	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	A	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
5	A	2,3-dihydro-1,4-benzodioxin-5-ylmethanol	non-polymer		166.2	1	Chemie (DBJ)
6		water	water		18.0	47	Chemie (HOH)

Sequence modifications

A, B: 55 - 212 (UniProt: Q72498)

PDB	External Database	Details
Ser 56	Cys 771	engineered mutation
Asp 131	Trp 846	engineered mutation
Asp 139	Phe 854	engineered mutation
His 185	Phe 900	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	34497.0
Non-Polymers*	Number of molecules	8
	Total formula weight	843.4
All*	Total formula weight	35340.4

*Water molecules are not included.