36CW

HIV-1 reverse transcriptase (F227C) in complex with DNAddG Aptamer and unincorporated ISL-triphosphate

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	562	64708.2	1	UniProt (P04585)	Human immunodeficiency virus 1	Exoribonuclease H,p66 RT
2	B (B)	p51 RT	polymer	455	53201.0	1	UniProt (P04585)	Human immunodeficiency virus 1
3	C (F)	DNAddG (38-MER)	polymer	38	11732.5	1		synthetic construct
4	D (A)	2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate)	non-polymer		533.2	1	Chemie (6FN)
5	E, F (A)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)
6	G, H, I (A, B, F)	water	water		18.0	80	Chemie (HOH)

Sequence modifications

A: 1 - 560 (UniProt: P04585)

PDB	External Database	Details
Met -1	-	initiating methionine
Val 0	-	expression tag
Cys 227	Phe 814	engineered mutation
Cys 258	Gln 845	engineered mutation
Ser 280	Cys 867	engineered mutation

B: 1 - 440 (UniProt: P04585)

PDB	External Database	Details
Met -14	-	initiating methionine
Ala -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
Leu -6	-	expression tag
Glu -5	-	expression tag
Val -4	-	expression tag
Leu -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Ser 280	Cys 867	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	129641.8
Non-Polymers*	Number of molecules	3
	Total formula weight	581.8
All*	Total formula weight	130223.6

*Water molecules are not included.