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Structure paper

TitleAn Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Journal, issue, pagesBiochemistry, Vol. 59, Page 4744-4754, Year 2020
Publish dateOct 26, 2020 (structure data deposition date)
AuthorsRonnebaum, T.A. / Gardner, S.M. / Christianson, D.W.
External linksBiochemistry / PubMed:33270439
MethodsX-ray diffraction
Resolution1.3 - 2.2 Å
Structure data

PDB-7kj8:
Wild-type epi-isozizaene synthase: complex with 3 Mg2+ and pamidronate
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7kj9:
Wild-type epi-isozizaene synthase: complex with 3 Mg2+ and risedronate
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-7kjd:
F96M epi-isozizaene synthase: complex with 3 Mg2+ and risedronate
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-7kje:
F96S epi-isozizaene synthase: complex with 3 Mg2+ and neridronate
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7kjf:
Wild-type epi-isozizaene synthase: complex with 3 Mg2+ and neridronate
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-7kjg:
F96M epi-isozizaene synthase: complex with 3 Mg2+ and BTAC
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-210:
PAMIDRONATE

ChemComp-HOH:
WATER

ChemComp-RIS:
1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID

ChemComp-NRD:
(6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid

ChemComp-GOL:
GLYCEROL

ChemComp-POP:
PYROPHOSPHATE 2-

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

Source
  • streptomyces coelicolor (bacteria)
KeywordsLYASE / terpene cyclase / complex / bisphosphonate inhibitor / pamidronate / risedronate

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