3C6U

Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 22

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	polymer	563	64895.3	1	UniProt (P04585) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075) In PDB	HIV-1 M:B_HXB2R	p66 RT
2	B	Reverse transcriptase	polymer	443	51731.4	1	UniProt (P04585) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) In PDB	HIV-1 M:B_HXB2R	p51 RT
3	A	3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile	non-polymer		410.3	1	Chemie (M22)
4		water	water		18.0	375	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

B: 1 - 440 (UniProt: P04585)

PDB	External Database	Details
Met -2	-	expression tag
Asn -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	116626.7
Non-Polymers*	Number of molecules	1
	Total formula weight	410.3
All*	Total formula weight	117037.0

*Water molecules are not included.