4LH4

Dual inhibition of HIV-1 replication by Integrase-LEDGF allosteric inhibitors is predominant at post-integration stage during virus production rather than at integration

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	182	20139.6	1	UniProt (Q9WJM2) Pfam (PF00665) UniProt (by SIFTS) (P12497) In PDB	Human immunodeficiency virus 1
2	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
3		water	water		18.0	169	Chemie (HOH)

Sequence modifications

A: 50 - 212 (UniProt: Q9WJM2)

PDB	External Database	Details
Met 31	-	expression tag
Gly 32	-	expression tag
Ser 33	-	expression tag
Ser 34	-	expression tag
His 35	-	expression tag
His 36	-	expression tag
His 37	-	expression tag
His 38	-	expression tag
His 39	-	expression tag
His 40	-	expression tag
Ser 41	-	expression tag
Ser 42	-	expression tag
Gly 43	-	expression tag
Leu 44	-	expression tag
Val 45	-	expression tag
Pro 46	-	expression tag
Arg 47	-	expression tag
Gly 48	-	expression tag
Ser 49	-	expression tag
Val 113	Ile 113	variant
Lys 185	Phe 185	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	20139.6
Non-Polymers*	Number of molecules	1
	Total formula weight	24.3
All*	Total formula weight	20164.0

*Water molecules are not included.