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)
Summary for 6WS1
| Entry DOI | 10.2210/pdb6ws1/pdb |
| Descriptor | Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, 1,2-ETHANEDIOL, ... (7 entities in total) |
| Functional Keywords | transition state analogue, chemical synthesis, drug design, structural biology, neurodegenerative disease, pnmt, transferase |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 2 |
| Total formula weight | 65986.80 |
| Authors | Harijan, R.K.,Mahmoodi, N.,Bonanno, J.B.,Almo, S.C.,Schramm, V.L. (deposition date: 2020-04-30, release date: 2020-08-05, Last modification date: 2023-10-18) |
| Primary citation | Mahmoodi, N.,Harijan, R.K.,Schramm, V.L. Transition-State Analogues of PhenylethanolamineN-Methyltransferase. J.Am.Chem.Soc., 142:14222-14233, 2020 Cited by PubMed: 32702980DOI: 10.1021/jacs.0c05446 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.76 Å) |
Structure validation
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