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Structure paper

TitleDe novo design of a fluorescence-activating beta-barrel.
Journal, issue, pagesNature, Vol. 561, Page 485-491, Year 2018
Publish dateApr 9, 2018 (structure data deposition date)
AuthorsDou, J. / Vorobieva, A.A. / Sheffler, W. / Doyle, L.A. / Park, H. / Bick, M.J. / Mao, B. / Foight, G.W. / Lee, M.Y. / Gagnon, L.A. ...Dou, J. / Vorobieva, A.A. / Sheffler, W. / Doyle, L.A. / Park, H. / Bick, M.J. / Mao, B. / Foight, G.W. / Lee, M.Y. / Gagnon, L.A. / Carter, L. / Sankaran, B. / Ovchinnikov, S. / Marcos, E. / Huang, P.S. / Vaughan, J.C. / Stoddard, B.L. / Baker, D.
External linksNature / PubMed:30209393
MethodsX-ray diffraction
Resolution1.63 - 2.3 Å
Structure data

PDB-6czg:
Structure of a redesigned beta barrel, b11L5F_LGL
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-6czh:
Structure of a redesigned beta barrel, mFAP0, bound to DFHBI
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-6czi:
Structure of a redesigned beta barrel, mFAP1, bound to DFHBI
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-6czj:
Structure of a redesigned beta barrel, b10
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-6d0t:
De novo design of a fluorescence-activating beta barrel - BB1
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-38E:
(5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one

ChemComp-SO4:
SULFATE ION

Source
  • synthetic construct (others)
KeywordsDE NOVO PROTEIN / beta barrel / Rossetta / computational / de novo / ligand binding / ligand binder / beta-barrel / design

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