8FE8

Crystal Structure of HIV-1 RT in Complex with the non-nucleoside inhibitor 18b1

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	557	63989.2	1	UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075) In PDB	Human immunodeficiency virus 1	Exoribonuclease H, p66 RT
2	B	Reverse transcriptase p51	polymer	429	50096.5	1	UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) In PDB	Human immunodeficiency virus 1
3	A	5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile	non-polymer		529.6	1	Chemie (XRB)
4	A, B	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
5	B	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
6		water	water		18.0	97	Chemie (HOH)

Sequence modifications

A: 1 - 555 (UniProt: P03366)

PDB	External Database	Details
Met -1	-	expression tag
Val 0	-	expression tag
Ala 172	Lys 771	engineered mutation
Ala 173	Lys 772	engineered mutation
Ser 280	Cys 879	engineered mutation

B: 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	2
	Total formula weight	114085.8
Non-Polymers*	Number of molecules	8
	Total formula weight	1168.1
All*	Total formula weight	115253.8

*Water molecules are not included.