4I5I

Crystal structure of the SIRT1 catalytic domain bound to NAD and an EX527 analog

Summary for 4I5I

• Entry DOI: 10.2210/pdb4i5i/pdb
• Descriptor: NAD-dependent protein deacetylase sirtuin-1, (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... (5 entities in total)
• Functional Keywords: rossmann fold, histone deacetylase, epigenetics, cancer, sirtuin, acetylated lysine of histone, hydrolase
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus, PML body. SirtT1 75 kDa fragment: Cytoplasm: Q96EB6
• Total number of polymer chains: 2
• Total formula weight: 67024.58

Authors

Zhao, X.,Allison, D.,Condon, B.,Zhang, F.,Gheyi, T.,Zhang, A.,Ashok, S.,Russell, M.,Macewan, I.,Qian, Y.,Jamison, J.A.,Luz, J.G. (deposition date: 2012-11-28, release date: 2013-01-23, Last modification date: 2023-09-20)

• Primary citation: Zhao, X.,Allison, D.,Condon, B.,Zhang, F.,Gheyi, T.,Zhang, A.,Ashok, S.,Russell, M.,MacEwan, I.,Qian, Y.,Jamison, J.A.,Luz, J.G.; The 2.5 angstrom crystal structure of the SIRT1 catalytic domain bound to nicotinamide adenine dinucleotide (NAD+) and an indole (EX527 analogue) reveals a novel mechanism of histone deacetylase inhibition.; J.Med.Chem., 56:963-969, 2013; PubMed: 23311358; DOI: 10.1021/jm301431y

Experimental method

X-RAY DIFFRACTION (2.5 Å)