4NYF

HIV integrase in complex with inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Integrase	polymer	168	18172.7	2	UniProt (P0C6F2)	Human immunodeficiency virus type 1	IN
2	C (A)	(2S)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid	non-polymer		383.9	1	Chemie (4BI)
3	D, E, F, G (A, B)	CADMIUM ION	non-polymer		112.4	4	Chemie (CD)
4	H, I (A, B)	water	water		18.0	168	Chemie (HOH)

Sequence modifications

A, B: 52 - 210 (UniProt: P0C6F2)

PDB	External Database	Details
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
His 50	-	expression tag
Met 51	-	expression tag
Ser 56	Cys 1203	engineered mutation
Asp 131	Trp 1278	engineered mutation
Asp 139	Phe 1286	engineered mutation
Lys 185	Phe 1332	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	36345.3
Non-Polymers*	Number of molecules	5
	Total formula weight	833.5
All*	Total formula weight	37178.8

*Water molecules are not included.