4B3O

Structures of HIV-1 RT and RNA-DNA Complex Reveal a Unique RT Conformation and Substrate Interface

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	560	64424.8	1	UniProt (P04585) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075)	HUMAN IMMUNODEFICIENCY VIRUS 1 (HIV-1)	REVERSE TRANSCRIPTASE, EXORIBONUCLEASE H, P66 RT, REVERSE TRANSCRIPTASE P66 SUBUNIT
2	B (B)	P51 RT	polymer	441	51384.0	1	UniProt (P04585) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815)	HUMAN IMMUNODEFICIENCY VIRUS 1 (HIV-1)	REVERSE TRANSCRIPTASE, REVERSE TRANSCRIPTASE P51 SUBUNIT
3	C (D)	5'-D(*CP*GP*TP*AP*TP*GP*CP*CP*TP*AP*TP*AP*GP*TP *TP*AP*TP*TP*GP*TP*GP*GP*CP*C)-3'	polymer	24	7366.7	1		SYNTHETIC CONSTRUCT	PRIMER DNA
4	D (R)	5'-R(*AP*UP*GP*AP*3DRP*GP*GP*CP*CP*AP*CP*AP*AP*UP*AP *AP*CP*UP*AP*UP*AP*GP*GP*CP*AP*UP*A)-3'	polymer	27	8539.2	1		SYNTHETIC CONSTRUCT	TEMPLATE RNA
5	E (A)	(-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE	non-polymer		315.7	1	Chemie (EFZ)
6	F, G (D, R)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)

Sequence modifications

A: 1 - 560 (UniProt: P04585)

PDB	External Database	Details
Gly 68	Ser 655	engineered mutation
Lys 83	Arg 670	engineered mutation
Val 411	Ile 998	engineered mutation
Ser 447	Asn 1034	engineered mutation
Lys 461	Arg 1048	engineered mutation
His 483	Tyr 1070	engineered mutation
Ile 559	Val 1146	engineered mutation

B: 1 - 440 (UniProt: P04585)

PDB	External Database	Details
Gly 0	-	expression tag
Gly 68	Ser 655	engineered mutation
Lys 83	Arg 670	engineered mutation
Val 411	Ile 998	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	131714.8
Non-Polymers*	Number of molecules	3
	Total formula weight	395.8
All*	Total formula weight	132110.6

*Water molecules are not included.