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TitleStructural Insights into Three Sesquiterpene Synthases for the Biosynthesis of Tricyclic Sesquiterpenes and Chemical Space Expansion by Structure-Based Mutagenesis.
Journal, issue, pagesJ. Am. Chem. Soc., Year 2023
Publish dateOct 11, 2022 (structure data deposition date)
AuthorsLou, T. / Li, A. / Xu, H. / Pan, J. / Xing, B. / Wu, R. / Dickschat, J.S. / Yang, D. / Ma, M.
External linksJ. Am. Chem. Soc. / PubMed:37018048
MethodsX-ray diffraction
Resolution1.47 - 2.78 Å
Structure data

PDB-8h4p:
class I sesquiterpene synthase
Method: X-RAY DIFFRACTION / Resolution: 1.47 Å

PDB-8h6q:
Class I sesquiterpene synthase BCBOT2 (apo)
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-8h6u:
Class I sesquiterpene synthase BCBOT2 (complex)
Method: X-RAY DIFFRACTION / Resolution: 2.78 Å

PDB-8h72:
Class I sesquiterpene synthase DbPROS (complex)
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

Chemicals

ChemComp-PPV:
PYROPHOSPHATE

ChemComp-BTM:
N-benzyl-N,N-diethylethanaminium

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-POP:
PYROPHOSPHATE 2-

Source
  • gibberella zeae (strain atcc mya-4620 / cbs 123657 / fgsc 9075 / nrrl 31084 / ph-1) (fungus)
  • botrytis cinerea (gray fruit mold)
  • dendrothele bispora (strain cbs 962.96) (fungus)
KeywordsSTRUCTURAL PROTEIN / class I sesquiterpene synthase / class I sesquiterpene synthase BCBOT2 (apo) / class I sesquiterpene synthase BCBOT2 (complex) / class I sesquiterpene synthase DbPROS (complex)

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