5UV5

Crystal Structure of a 2-Hydroxyisoquinoline-1,3-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase

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)	Reverse transcriptase/ribonuclease H	polymer	557	64105.4	2	UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075)	Human immunodeficiency virus type 1 group M subtype B (isolate BH10) (HIV-1)	Exoribonuclease H, p66 RT
2	B, D (B, D)	p51 RT	polymer	429	50096.5	2	UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815)	Human immunodeficiency virus type 1 group M subtype B (isolate BH10) (HIV-1)
3	E, F, H, I (A, C)	MANGANESE (II) ION	non-polymer		54.9	4	Chemie (MN)
4	G, J (A, C)	7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione	non-polymer		243.2	2	Chemie (Y55)

Sequence modifications

A, C: 1 - 555 (UniProt: P03366)

PDB	External Database	Details
Met -1	-	initiating methionine
Val 0	-	expression tag
Ser 280	Cys 879	engineered mutation

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

PDB	External Database	Details
Gly 0	-	expression tag
Ser 280	Cys 879	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	228404.0
Non-Polymers*	Number of molecules	6
	Total formula weight	706.2
All*	Total formula weight	229110.1

*Water molecules are not included.