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Structure paper

TitleTransition-State Analogues of PhenylethanolamineN-Methyltransferase.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 142, Page 14222-14233, Year 2020
Publish dateApr 30, 2020 (structure data deposition date)
AuthorsMahmoodi, N. / Harijan, R.K. / Schramm, V.L.
External linksJ. Am. Chem. Soc. / PubMed:32702980
MethodsX-ray diffraction
Resolution2.76 Å
Structure data

PDB-6ws1:
Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-((((2R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(3-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)propyl)amino)butanoic acid and AdoHcy (SAH)
Method: X-RAY DIFFRACTION / Resolution: 2.76 Å

Chemicals

ChemComp-SAH:
S-ADENOSYL-L-HOMOCYSTEINE

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CD:
Unknown entry

ChemComp-K:
Unknown entry

ChemComp-U87:
5'-([(3S)-3-amino-3-carboxypropyl]{3-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Transition state analogue / Chemical synthesis / Drug design / Structural Biology / neurodegenerative disease / PNMT

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