8DXK

HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-bromopyrazole at multiple sites

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Reverse transcriptase/ribonuclease H	polymer	557	63989.2	1	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 (B)	p51 RT	polymer	428	50039.5	1	UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815)	Human immunodeficiency virus 1aHuman immunodeficiency virus type 1 group M subtype B (isolate BH10) (HIV-1)
3	C (A)	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile	non-polymer		366.4	1	Chemie (T27)
4	D, P, Q, R, S... (A, B)	DIMETHYL SULFOXIDE	non-polymer		78.1	6	Chemie (DMS)
5	E, F, U (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
6	G (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
7	H, I, J, V (A, B)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
8	K, L, M, N, O... (A, B)	4-bromo-1H-pyrazole	non-polymer		147.0	8	Chemie (BYZ)
9	AA, Z (B, A)	water	water		18.0	659	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
Ser 280	Cys 879	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	114028.7
Non-Polymers*	Number of molecules	23
	Total formula weight	2605.8
All*	Total formula weight	116634.5

*Water molecules are not included.