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Structure paper

TitleTurning a protein kinase on or off from a single allosteric site via disulfide trapping.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 108, Page 6056-6061, Year 2011
Publish dateSep 8, 2010 (structure data deposition date)
AuthorsSadowsky, J.D. / Burlingame, M.A. / Wolan, D.W. / McClendon, C.L. / Jacobson, M.P. / Wells, J.A.
External linksProc. Natl. Acad. Sci. USA / PubMed:21430264
MethodsX-ray diffraction
Resolution1.9995 - 2.2044 Å
Structure data

PDB-3orx:
PDK1 mutant bound to allosteric disulfide fragment inhibitor 1F8
Method: X-RAY DIFFRACTION / Resolution: 2.2044 Å

PDB-3orz:
PDK1 mutant bound to allosteric disulfide fragment activator 2A2
Method: X-RAY DIFFRACTION / Resolution: 1.9995 Å

PDB-3otu:
PDK1 mutant bound to allosteric disulfide fragment activator JS30
Method: X-RAY DIFFRACTION / Resolution: 2.1013 Å

Chemicals

ChemComp-1F8:
2-methyl-N-(2-sulfanylethyl)-1-benzofuran-3-carboxamide

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-2A2:
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol

ChemComp-BI4:
3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE

ChemComp-J30:
4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutane-1-thiol

ChemComp-SO4:
SULFATE ION

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / PIF pocket / C-helix / activation loop / AGC kinase / Transferase / Allosteric inhibitor / Phosphorylation / allostery / disulfide / kinase / PDK1 / TRANSFERASE-TRANSFERASE INHIBITOR complex / TRANSFERASE/TRANSFERASE ACTIVATOR / C helix / Ser/Thr-kinase / allosteric activator / bisindolylmaleimide / TRANSFERASE-TRANSFERASE ACTIVATOR complex

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