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Structure paper

TitleStructural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Journal, issue, pagesNat. Chem. Biol., Vol. 14, Page 345-351, Year 2018
Publish dateAug 7, 2017 (structure data deposition date)
AuthorsNewmister, S.A. / Li, S. / Garcia-Borras, M. / Sanders, J.N. / Yang, S. / Lowell, A.N. / Yu, F. / Smith, J.L. / Williams, R.M. / Houk, K.N. / Sherman, D.H.
External linksNat. Chem. Biol. / PubMed:29531360
MethodsX-ray diffraction
Resolution1.389 - 2.088 Å
Structure data

PDB-5wpp:
Crystal structure HpiC1 W73M/K132M
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-5wpr:
Crystal structure HpiC1 in C2 space group
Method: X-RAY DIFFRACTION / Resolution: 1.49 Å

PDB-5wps:
Crystal structure HpiC1 Y101F
Method: X-RAY DIFFRACTION / Resolution: 1.389 Å

PDB-5wpu:
Crystal structure HpiC1 Y101S
Method: X-RAY DIFFRACTION / Resolution: 1.39 Å

PDB-6al6:
Crystal structure HpiC1 in P42 space group
Method: X-RAY DIFFRACTION / Resolution: 2.088 Å

PDB-6al7:
Crystal structure HpiC1 F138S
Method: X-RAY DIFFRACTION / Resolution: 1.687 Å

PDB-6al8:
Crystal structure HpiC1 Y101F/F138S
Method: X-RAY DIFFRACTION / Resolution: 1.641 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-HOH:
WATER

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • fischerella sp. atcc 43239 (bacteria)
KeywordsISOMERASE / cyclase / hapalindole

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