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Structure paper

TitleStructural basis of HIV inhibition by translocation-defective RT inhibitor 4'-ethynyl-2-fluoro-2'-deoxyadenosine (EFdA).
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 113, Page 9274-9279, Year 2016
Publish dateMar 29, 2016 (structure data deposition date)
AuthorsSalie, Z.L. / Kirby, K.A. / Michailidis, E. / Marchand, B. / Singh, K. / Rohan, L.C. / Kodama, E.N. / Mitsuya, H. / Parniak, M.A. / Sarafianos, S.G.
External linksProc. Natl. Acad. Sci. USA / PubMed:27489345
MethodsX-ray diffraction
Resolution2.432 - 2.896 Å
Structure data

PDB-5j2m:
HIV-1 reverse transcriptase in complex with DNA and EFdA-triphosphate, a translocation-defective RT inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.432 Å

PDB-5j2n:
HIV-1 reverse transcriptase in complex with DNA that has incorporated EFdA-MP at the P-(post-translocation) site and dTMP at the N-(pre-translocation) site
Method: X-RAY DIFFRACTION / Resolution: 2.896 Å

PDB-5j2p:
HIV-1 reverse transcriptase in complex with DNA that has incorporated EFdA-MP at the P-(post-translocation) site and a second EFdA-MP at the N-(pre-translocation) site
Method: X-RAY DIFFRACTION / Resolution: 2.53 Å

PDB-5j2q:
HIV-1 reverse transcriptase in complex with DNA that has incorporated a mismatched EFdA-MP at the N-(pre-translocation) site
Method: X-RAY DIFFRACTION / Resolution: 2.789 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-6FN:
2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate)

ChemComp-HOH:
WATER

ChemComp-6FM:
2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate)

Source
  • human immunodeficiency virus type 1 group m subtype b (isolate hxb2)
  • human immunodeficiency virus 1
  • hiv-1 m:b_hxb2r (virus)
Keywordstransferase/dna / HIV-1 / reverse transcriptase / RT / DNA / double stranded DNA / dsDNA / EFdA / 4'-ethynyl-2-fluoro-2'-deoxyadenosine / EFdA-triphosphate / EFdA-TP / inhibitors / NRTI / TDRTI / translocation defective / transferase-dna complex / EFdA-monophosphate / EFdA-MP / pre-translocation / N site / P site / post-translocation / mismatch

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