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Structure paper

TitleCell-Effective Transition-State Analogue of Phenylethanolamine N -Methyltransferase.
Journal, issue, pagesBiochemistry, Vol. 62, Page 2257-2268, Year 2023
Publish dateFeb 7, 2022 (structure data deposition date)
AuthorsMahmoodi, N. / Minnow, Y.V.T. / Harijan, R.K. / Bedard, G.T. / Schramm, V.L.
External linksBiochemistry / PubMed:37467463
MethodsX-ray diffraction
Resolution2.1 - 2.43 Å
Structure data

PDB-7twu:
Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(4-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)butyl)amino)butanoic acid and AdoHcy (SAH)
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-7tx2:
Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(4-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)butyl)amino)butanoic acid
Method: X-RAY DIFFRACTION / Resolution: 2.43 Å

Chemicals

ChemComp-SAH:
S-ADENOSYL-L-HOMOCYSTEINE

ChemComp-CD:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

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

ChemComp-HOH:
WATER

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

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