3JSM

K65R mutant HIV-1 reverse transcriptase cross-linked to DS-DNA and complexed with tenofovir-diphosphate as the incoming nucleotide substrate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (T)	DNA (5'-D(*A*TP*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3')	polymer	27	8383.4	1
2	B (P)	DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3')	polymer	21	6474.3	1
3	C (A)	HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT	polymer	558	64277.7	1	UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075)	Human immunodeficiency virus type 1 (HIV-1)
4	D (B)	HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT	polymer	437	51095.6	1	UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815)	Human immunodeficiency virus type 1 (HIV-1)
5	E (A)	[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-TRIPHOSPHATE	non-polymer		447.2	1	Chemie (TNV)
6	F, G (A)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
7	H, I (A)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
8	J (A)	water	water		18.0	1	Chemie (HOH)

Sequence modifications

A: 1 - 558 (UniProt: P03366)

PDB	External Database	Details
Arg 65	Lys 664	engineered mutation
Cys 258	Gln 857	engineered mutation
Ser 280	Cys 879	engineered mutation

B: 1 - 429 (UniProt: P03366)

PDB	External Database	Details
Ser 280	Cys 879	engineered mutation
Gly 430	-	expression tag
Gly 431	-	expression tag
His 432	-	expression tag
His 433	-	expression tag
His 434	-	expression tag
His 435	-	expression tag
His 436	-	expression tag
His 437	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	130230.9
Non-Polymers*	Number of molecules	5
	Total formula weight	687.9
All*	Total formula weight	130918.9

*Water molecules are not included.