6ORR
Co-crystal structure of human NicotinamideN-Methyltransferase (NNMT) in complex with High-Affinity Alkynyl Bisubstrate Inhibitor NS1
Summary for 6ORR
Entry DOI | 10.2210/pdb6orr/pdb |
Descriptor | NNMT protein, 9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-D-glycero-alpha-L-talo-decofuranuronosyl}-9H-purin-6-amine, GLYCEROL, ... (4 entities in total) |
Functional Keywords | methyltransferase nicotinamide, alkynyl bisubstrate inhibitor, alkyne linker methyltransferase inhibitor, high-affinity alkynyl nucleoside, sam slow-binding inhibition, tight-binding inhibition, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 4 |
Total formula weight | 128362.66 |
Authors | May, E.J.,Policarpo, R.L.,Gaudet, R. (deposition date: 2019-04-30, release date: 2019-10-23, Last modification date: 2023-10-11) |
Primary citation | Policarpo, R.L.,Decultot, L.,May, E.,Kuzmic, P.,Carlson, S.,Huang, D.,Chu, V.,Wright, B.A.,Dhakshinamoorthy, S.,Kannt, A.,Rani, S.,Dittakavi, S.,Panarese, J.D.,Gaudet, R.,Shair, M.D. High-Affinity Alkynyl Bisubstrate Inhibitors of NicotinamideN-Methyltransferase (NNMT). J.Med.Chem., 62:9837-9873, 2019 Cited by PubMed: 31589440DOI: 10.1021/acs.jmedchem.9b01238 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.25 Å) |
Structure validation
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