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 Cited by PubMed: 23311358DOI: 10.1021/jm301431y PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.5 Å) |
Structure validation
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