3TAM

Crystal structure of HIV-1 reverse transcriptase (K103N mutant) in complex with inhibitor M06

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	64880.2	1	UniProt (P04585) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075) In PDB	HIV-1 M:B_HXB2R (HIV-1)	Reverse transcriptase/ribonuclease H, Exoribonuclease H, p66 RT
2	B	p51 RT	polymer	443	51716.3	1	UniProt (P04585) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) In PDB	HIV-1 M:B_HXB2R (HIV-1)	REVERSE TRANSCRIPTASE/RIBONUCLEASE H, EXORIBONUCLEASE H, P51 RT
3	A	3-chloro-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile	non-polymer		391.8	1	Chemie (M06)
4		water	water		18.0	362	Chemie (HOH)

Sequence modifications

A: 3 - 560 (UniProt: P04585)

PDB	External Database	Details
Met -2	-	expression tag
Asn -1	-	expression tag
Ser 0	-	expression tag
Pro 1	-	expression tag
Ile 2	-	expression tag
Asn 103	Lys 690	engineered mutation

B: 1 - 440 (UniProt: P04585)

PDB	External Database	Details
Met -2	-	expression tag
Asn -1	-	expression tag
Ser 0	-	expression tag
Asn 103	Lys 690	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	116596.6
Non-Polymers*	Number of molecules	1
	Total formula weight	391.8
All*	Total formula weight	116988.4

*Water molecules are not included.