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Structure paper

TitleA single diiron enzyme catalyses the oxidative rearrangement of tryptophan to indole nitrile
Journal, issue, pagesNat. Chem., Year 2024
Publish dateAug 21, 2023 (structure data deposition date)
AuthorsAdak, S. / Ye, N. / Calderone, L.A. / Duan, M. / Lubeck, W. / Schafer, R.J.B. / Lukowski, A.L. / Houk, K.N. / Pandelia, M.E. / Drennan, C.L. / Moore, B.S.
External linksNat. Chem. / Search PubMed
MethodsX-ray diffraction
Resolution2 - 2.3 Å
Structure data

PDB-8twn:
Crystal structure of nitrile synthase AetD with substrate bound
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-8twt:
Crystal structure of nitrile synthase AetD with substrate bound and cofactor partially assembled
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-8tww:
Crystal structure of nitrile synthase AetD with substrate bound and cofactor fully assembled
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-67I:
(2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid

ChemComp-MLT:
D-MALATE

ChemComp-HOH:
WATER

ChemComp-SIN:
SUCCINIC ACID

ChemComp-FE:
Unknown entry

ChemComp-GOL:
GLYCEROL

Source
  • aetokthonos hydrillicola (bacteria)
KeywordsOXIDOREDUCTASE / nitrile synthase / non-heme iron enzyme / diiron enzyme

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