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Structure paper

TitleComputational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers
Journal, issue, pagesAcs Catalysis, Vol. 11, Page 12864-12885, Year 2021
Publish dateJan 15, 2020 (structure data deposition date)
AuthorsMarkova, K. / Kunka, A. / Chmelova, K. / Havlasek, M. / Babkova, P. / Marques, S.M. / Vasina, M. / Planas-Iglesias, J. / Chaloupkova, R. / Bednar, D. ...Markova, K. / Kunka, A. / Chmelova, K. / Havlasek, M. / Babkova, P. / Marques, S.M. / Vasina, M. / Planas-Iglesias, J. / Chaloupkova, R. / Bednar, D. / Prokop, Z. / Damborsky, J. / Marek, M.
External linksAcs Catalysis / Search PubMed
MethodsX-ray diffraction
Resolution1.5 - 2.543 Å
Structure data

PDB-6ty7:
Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-1
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-6xt8:
Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-2
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-6xtc:
Crystal structure of haloalkane dehalogenase variant DhaA177 domain-swapped dimer type-3
Method: X-RAY DIFFRACTION / Resolution: 2.543 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

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

ChemComp-GOL:
GLYCEROL

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-NO3:
NITRATE ION

ChemComp-HOH:
WATER

ChemComp-CL:
Unknown entry

ChemComp-SO4:
SULFATE ION

Source
  • synthetic construct (others)
KeywordsHYDROLASE / Haloalkane dehalogenase

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