5MAT

Structure of human Sirtuin 2 in complex with a selective thienopyrimidinone based inhibitor

Summary for 5MAT

• Entry DOI: 10.2210/pdb5mat/pdb
• Descriptor: NAD-dependent protein deacetylase sirtuin-2, ZINC ION, (7~{R})-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-[(4-methoxynaphthalen-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, ... (7 entities in total)
• Functional Keywords: nad-dependent protein deacylase, sirtuin, inhibitor complex, hydrolase
• Biological source: Homo sapiens (Human)
• Cellular location: Nucleus. Isoform 1: Cytoplasm . Isoform 2: Cytoplasm . Isoform 5: Cytoplasm : Q8IXJ6
• Total number of polymer chains: 2
• Total formula weight: 71172.22

Authors

Moniot, S.,Steegborn, C. (deposition date: 2016-11-04, release date: 2017-02-08, Last modification date: 2024-01-17)

• Primary citation: Sundriyal, S.,Moniot, S.,Mahmud, Z.,Yao, S.,Di Fruscia, P.,Reynolds, C.R.,Dexter, D.T.,Sternberg, M.J.,Lam, E.W.,Steegborn, C.,Fuchter, M.J.; Thienopyrimidinone Based Sirtuin-2 (SIRT2)-Selective Inhibitors Bind in the Ligand Induced Selectivity Pocket.; J. Med. Chem., 60:1928-1945, 2017; PubMed: 28135086; DOI: 10.1021/acs.jmedchem.6b01690

Experimental method

X-RAY DIFFRACTION (2.069 Å)