4PWD

Crystal structure of HIV-1 reverse transcriptase in complex with bulge-RNA/DNA and Nevirapine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	HIV-1 Reverse Transcriptase, P66 subunit	polymer	556	64022.4	2	UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075)	Human immunodeficiency virus type 1 (HIV-1)	Reverse transcriptase/ribonuclease H, Exoribonuclease H, p66 RT
2	B, D (B, D)	HIV-1 Reverse Transcriptase, P51 subunit	polymer	428	50039.5	2	UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815)	Human immunodeficiency virus type 1 (HIV-1)	p51 RT
3	E, F (T, E)	5'-R(*AP*UP*GP*GP*UP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*AP*CP*AP*GP*GP*GP*AP*CP*UP*GP*U)-3'	polymer	27	8743.3	2
4	G, H (P, F)	5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3'	polymer	21	6416.1	2
5	I, L (A, C)	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE	non-polymer		266.3	2	Chemie (NVP)
6	J, M (A, C)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
7	K (B)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)

Sequence modifications

A, C: 1 - 554 (UniProt: P03366)

PDB	External Database	Details
Met -1	-	expression tag
Val 0	-	expression tag
Cys 258	Gln 857	engineered mutation
Ser 280	Cys 879	engineered mutation
Asn 498	Asp 1097	engineered mutation

B, D: 1 - 428 (UniProt: P03366)

PDB	External Database	Details
Ser 280	Cys 879	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	258442.6
Non-Polymers*	Number of molecules	5
	Total formula weight	708.8
All*	Total formula weight	259151.4

*Water molecules are not included.