3DRR

HIV reverse transcriptase Y181C mutant in complex with inhibitor R8e

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/ribonuclease H	polymer	563	64835.3	1	UniProt (P04585) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075) In PDB	Human immunodeficiency virus type 1 (HIV-1)	p66 RT
2	B	p51 RT	polymer	443	51671.4	1	UniProt (P04585) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) In PDB	Human immunodeficiency virus type 1 (HIV-1)
3	A	3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile	non-polymer		426.3	1	Chemie (R8E)
4		water	water		18.0	346	Chemie (HOH)

Sequence modifications

A: 1 - 560 (UniProt: P04585)

PDB	External Database	Details
Met -2	-	expression tag
Asn -1	-	expression tag
Ser 0	-	expression tag
Cys 181	Tyr 768	engineered mutation

B: 1 - 440 (UniProt: P04585)

PDB	External Database	Details
Met -2	-	expression tag
Asn -1	-	expression tag
Ser 0	-	expression tag
Cys 181	Tyr 768	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	116506.7
Non-Polymers*	Number of molecules	1
	Total formula weight	426.3
All*	Total formula weight	116932.9

*Water molecules are not included.