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: 31589440 DOI: 10.1021/acs.jmedchem.9b01238 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.25 Å)

Structure validation