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Structure paper

TitleSmall-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme
Journal, issue, pagesTo Be Published
Publish dateMar 4, 2016 (structure data deposition date)
AuthorsKoo, H.J. / Louie, G.V. / Xu, Y. / Bowman, M. / Noel, J.P.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.85 - 2.45 Å
Structure data

PDB-5il3:
Tobacco 5-epi-aristolochene synthase with MOPSO buffer molecule and Mg2+ ions
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-5il8:
Tobacco 5-epi-aristolochene synthase with MOPSO buffer molecule and Ca2+ ions
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-5ild:
Tobacco 5-epi-aristolochene synthase with MES buffer molecule and Mg2+ ions
Method: X-RAY DIFFRACTION / Resolution: 2.12 Å

PDB-5ilh:
Tobacco 5-epi-aristolochene synthase with CAPSO buffer molecule and Ca2+ ions
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-5ili:
Tobacco 5-epi-aristolochene synthase with CAPSO buffer molecule and Mg2+ ions
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-5ilj:
Tobacco 5-epi-aristolochene synthase with BIS-TRIS buffer molecule
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-5ilk:
Tobacco 5-epi-aristolochene synthase with partial density from MOPSO or BIS-TRIS buffer molecule in the active site
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-5ily:
Tobacco 5-epi-aristolochene synthase with BIS-TRIS buffer molecule and diphosphate (PPi)
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-5ilz:
Tobacco 5-epi-aristolochene synthase with BIS-TRIS propane (BTP) buffer molecule
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

PDB-5im1:
Tobacco 5-epi-aristolochene synthase without buffer molecule in the active site
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-6BX:
(2S)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid

ChemComp-6BY:
(2R)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid

ChemComp-HOH:
WATER

ChemComp-CA:
Unknown entry

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-3FX:
(2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid

ChemComp-3CX:
(2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid

ChemComp-BTB:
2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-DPO:
DIPHOSPHATE

ChemComp-B3P:
2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

Source
  • nicotiana tabacum (common tobacco)
KeywordsLYASE / terpene synthase / TEAS / MOPSO / MES / CAPSO / BIS-TRIS / diphosphate / BIS-TRIS propane / BTP

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