8VUB

Crystal structure of wild-type HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor 5e2

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/ribonuclease H	polymer	557	63989.2	1	UniProt (P03366)	Human immunodeficiency virus 1	Exoribonuclease H, p66 RT
2	B (B)	p51 RT	polymer	428	50039.5	1	UniProt (P03366)	Human immunodeficiency virus 1
3	C (A)	4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-6,7-dimethoxyquinazolin-2-yl]amino}piperidin-1-yl)methyl]benzamide	non-polymer		566.6	1	Chemie (PKX)
4	D, E, F, G, K... (A, B)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
5	H, I, M, N, O (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
6	J (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
7	P, Q (A, B)	water	water		18.0	576	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	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	114028.7
Non-Polymers*	Number of molecules	13
	Total formula weight	1477.7
All*	Total formula weight	115506.4

*Water molecules are not included.