7SNZ

Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 6-((2-((4-cyanophenyl)amino)pyrimidin-4-yl)amino)-5,7-dimethylindolizine-2-carbonitrile (JLJ604)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Reverse transcriptase p66	polymer	557	63989.2	1	UniProt (P03366)	Human immunodeficiency virus type 1 (HIV-1)
2	B (B)	p51 RT	polymer	428	50039.5	1	UniProt (P03366)	Human immunodeficiency virus type 1 group M subtype B (isolate BH10) (HIV-1)
3	C (A)	(4R)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile	non-polymer		379.4	1	Chemie (9WI)
4	D, E (A)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
5	F, G, H, I (A, B)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
6	J (B)	1,4-DIAMINOBUTANE	non-polymer		88.2	1	Chemie (PUT)
7	K, L (A, B)	water	water		18.0	142	Chemie (HOH)

Sequence modifications

A: 1 - 555 (UniProt: P03366)

PDB	External Database	Details
Met -1	-	expression tag
Val 0	-	expression tag
Ala 172	Lys 771	engineered mutation
Ala 173	Lys 772	engineered mutation
Ser 280	Cys 879	engineered mutation

B: 1 - 428 (UniProt: P03366)

PDB	External Database	Details
Ser 280	Cys 879	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	114028.7
Non-Polymers*	Number of molecules	8
	Total formula weight	756.9
All*	Total formula weight	114785.6

*Water molecules are not included.