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TitleHit to Lead: Comprehensive Strategy of de novo Scaffold Generation by FBDD. Part 1: In silico Fragments Linking and Verification of Spatial Proximity using Inter Ligand NOE Approachs
Journal, issue, pagesTo be Published
Publish dateSep 26, 2009 (structure data deposition date)
AuthorsNonaka, Y. / Momose, T. / Ozawa, T. / Ozawa, M. / Nakatsu, M. / Tsuji, E. / Okazaki, K. / Takase, Y. / Kiyotani, T.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.8 Å
Structure data

PDB-3a7e:
Crystal structure of human COMT complexed with SAM and 3,5-dinitrocatechol
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-SAM:
S-ADENOSYLMETHIONINE

ChemComp-DNC:
3,5-DINITROCATECHOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / COMT / ALTERNATIVE INITIATION / CATECHOLAMINE METABOLISM / MAGNESIUM / METHYLTRANSFERASE / NEUROTRANSMITTER DEGRADATION / S-ADENOSYL-L-METHIONINE / Cell membrane / Membrane / Metal-binding / Phosphoprotein / Signal-anchor / Transmembrane

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