7RWH

Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-41998

Summary for 7RWH

Entry DOI	10.2210/pdb7rwh/pdb
Related	7KCC 7RW5 7RW7 7RWG
Descriptor	S-adenosylmethionine synthase isoform type-2, S-ADENOSYLMETHIONINE, 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol, ... (9 entities in total)
Functional Keywords	methionine adenosyltransferase, sam, allosteric inhibitor, transferase, transferase-inhibitor complex, transferase/inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	45398.44
Authors	Jin, L.,Padyana, A.K. (deposition date: 2021-08-19, release date: 2022-03-23, Last modification date: 2023-10-18)
Primary citation	Li, M.,Konteatis, Z.,Nagaraja, N.,Chen, Y.,Zhou, S.,Ma, G.,Gross, S.,Marjon, K.,Hyer, M.L.,Mandley, E.,Lein, M.,Padyana, A.K.,Jin, L.,Tong, S.,Peters, R.,Murtie, J.,Travins, J.,Medeiros, M.,Liu, P.,Frank, V.,Judd, E.T.,Biller, S.A.,Marks, K.M.,Sui, Z.,Reznik, S.K. Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65:4600-4615, 2022 Cited by PubMed: 35293760 DOI: 10.1021/acs.jmedchem.1c01595 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.17 Å)

Structure validation