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Structure paper

TitleComputational design of a red fluorophore ligase for site-specific protein labeling in living cells.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 111, Page E4551-E4559, Year 2014
Publish dateJun 28, 2014 (structure data deposition date)
AuthorsLiu, D.S. / Nivon, L.G. / Richter, F. / Goldman, P.J. / Deerinck, T.J. / Yao, J.Z. / Richardson, D. / Phipps, W.S. / Ye, A.Z. / Ellisman, M.H. ...Liu, D.S. / Nivon, L.G. / Richter, F. / Goldman, P.J. / Deerinck, T.J. / Yao, J.Z. / Richardson, D. / Phipps, W.S. / Ye, A.Z. / Ellisman, M.H. / Drennan, C.L. / Baker, D. / Ting, A.Y.
External linksProc. Natl. Acad. Sci. USA / PubMed:25313043
MethodsX-ray diffraction
Resolution2.151 - 3.505 Å
Structure data

PDB-4tvw:
Resorufin ligase with bound resorufin-AMP analog
Method: X-RAY DIFFRACTION / Resolution: 3.505 Å

PDB-4tvy:
Apo resorufin ligase
Method: X-RAY DIFFRACTION / Resolution: 2.151 Å

Chemicals

ChemComp-37P:
5'-O-{[5-(7-hydroxy-3-oxo-3H-phenoxazin-2-yl)pentanoyl]sulfamoyl}adenosine

ChemComp-37R:
5-(3,7-dihydroxy-10H-phenoxazin-2-yl)pentanamide

ChemComp-HOH:
WATER

Source
  • escherichia coli (E. coli)
KeywordsTRANSFERASE / E. coli LplA / computational enzyme design

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