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5VQT

Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 2-chloro-N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacetamide (JLJ686), a Non-nucleoside Inhibitor

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A
(A)
Reverse transcriptase/ribonuclease Hpolymer55763989.21UniProt (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
2B
(B)
p51 RTpolymer42850039.51UniProt (P03366)
Pfam (PF00078)
Pfam (PF06817)
Pfam (PF06815)
Human immunodeficiency virus type 1 group M subtype B (isolate BH10) (HIV-1)
3C
(A)
2-chloro-N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamidenon-polymer518.91Chemie (9K7)
4D
(A)
SULFATE IONnon-polymer96.11Chemie (SO4)
5E, F
(A, B)
waterwater18.026Chemie (HOH)
Sequence modifications
A: 1 - 555 (UniProt: P03366)
PDBExternal DatabaseDetails
Met -1-expression tag
Val 0-expression tag
Ala 172Lys 771engineered mutation
Ala 173Lys 772engineered mutation
Ser 280Cys 879engineered mutation
B: 1 - 428 (UniProt: P03366)
PDBExternal DatabaseDetails
Ser 280Cys 879engineered mutation
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains2
Total formula weight114028.7
Non-Polymers*Number of molecules2
Total formula weight615.0
All*Total formula weight114643.7
*Water molecules are not included.

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PDB entries from 2025-07-23

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