3KK1

HIV-1 reverse transcriptase-DNA complex with nuceotide inhibitor GS-9148-diphosphate bound in nucleotide site

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Reverse transcriptase p66 subunit	polymer	560	64521.9	1	UniProt (P04585) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075) In PDB	Human immunodeficiency virus type 1 (HIV-1)	p66 RT
2	B	Reverse transcriptase p51 subunit	polymer	452	52748.4	1	UniProt (P04585) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) In PDB	Human immunodeficiency virus type 1 (HIV-1)	p51 RT
3	P	5'-D(*AP*CP*A*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DOC))-3'	polymer	21	6360.1	1
4	T	5'-D(*A*TP*GP*GP*TP*GP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'	polymer	27	8423.4	1
5	A, P	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
6	A	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
7	A	[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid	non-polymer		491.2	1	Chemie (914)
8		water	water		18.0	154	Chemie (HOH)

Sequence modifications

A: 1 - 560 (UniProt: P04585)

PDB	External Database	Details
Cys 258	Gln 845	engineered mutation
Ser 280	Cys 867	engineered mutation

B: 1 - 440 (UniProt: P04585)

PDB	External Database	Details
Met -11	-	expression tag
Gly -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
Ser 280	Cys 867	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	132053.8
Non-Polymers*	Number of molecules	6
	Total formula weight	828.0
All*	Total formula weight	132881.8

*Water molecules are not included.