Crystal structure of human SIRT3 in complex with the covalent adduct of peptide triazole inhibitor LTDi1 and ADP-ribose. Determined by X-ray diffraction at 1.6 Å resolution. Released 12 Nov 2025.
Explore 9S27 in 3D Show helices and sheets RCSB PDB PDBe
9S27 contains 21 α-helices and 17 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 125-133 | 9 | |
| β-strand | 140-144 | 5 | 1 |
| α-helix | 146-148 | 3 | |
| α-helix | 150-152 | 3 | |
| α-helix | 164-166 | 3 | |
| α-helix | 176-180 | 5 | |
| β-strand | 181 | 1 | 2 |
| α-helix | 182-187 | 6 | |
| α-helix | 190-199 | 10 | |
| α-helix | 208-218 | 11 | |
| β-strand | 222-227 | 6 | 1 |
| α-helix | 233-236 | 4 | |
| α-helix | 241-243 | 3 | |
| β-strand | 244-246 | 3 | 1 |
| β-strand | 249-256 | 8 | 3 |
| β-strand | 262-264 | 3 | 3 |
| α-helix | 265-273 | 9 | |
| β-strand | 279 | 1 | 4 |
| α-helix | 285 | 1 | |
| β-strand | 286 | 1 | 4 |
| β-strand | 287-291 | 5 | 3 |
| β-strand | 294 | 1 | 2 |
| β-strand | 297 | 1 | 5 |
| α-helix | 298-299 | 2 | |
| α-helix | 300-304 | 5 | |
| α-helix | 305-311 | 7 | |
| β-strand | 314-318 | 5 | 1 |
| β-strand | 325 | 1 | 6 |
| α-helix | 328-332 | 5 | |
| β-strand | 340-344 | 5 | 1 |
| α-helix | 349-353 | 5 | |
| β-strand | 359-363 | 5 | 1 |
| α-helix | 366-377 | 12 | |
| α-helix | 380-390 | 11 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | -1 | 1 | |
| β-strand | 0 | 1 | 5 |
| α-helix | 1 | 1 | |
| β-strand | 2 | 1 | 6 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-3, mitochondrial | A | protein | 281 | Homo sapiens | Q9NTG7 (AlphaFold model) |
| TNFa-derived lysine triazole dodecyl inhibitor | B | protein | 9 | Homo sapiens |
>9S27_1 NAD-dependent protein deacetylase sirtuin-3, mitochondrial (chains A) GHMSDKGKLSLQDVAELIRARACQRVVVMVGAGISTPSGIPDFRSPGSGLYSNLQQYDLP YPEAIFELPFFFHNPKPFFTLAKELYPGNYKPNVTHYFLRLLHDKGLLLRLYTQNIDGLE RVSGIPASKLVEAHGTFASATCTVCQRPFPGEDIRADVMADRVPRCPVCTGVVKPDIVFF GEPLPQRFLLHVVDFPMADLLLILGTSLEVEPFASLTEAVRSSVPRLLINRDLVGPLAWH PRSRDVAQLGDVVHGVESLVELLGWTEEMRDLVQRETGKLD
>9S27_2 TNFa-derived lysine triazole dodecyl inhibitor (chains B) EALPKATGG
| ID | Name | Formula | Copies |
|---|---|---|---|
| A1JK8 | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]… | C32 H55 N8 O13 P2 | 1 |
| BU3 | (r,r)-2,3-butanediol | C4 H10 O2 | 2 |
| ZN | Zinc ion | Zn | 1 |
From Pharmacophore to Warhead: NAD + -Targeting Triazoles as Mechanism-Based Sirtuin Inhibitors. Friedrich, F., Meleshin, M., Papenkordt, N. et al. Angew Chem Int Ed Engl (2025) 64:e16782-e16782. DOI 10.1002/anie.202516782 · PubMed
Other PDB entries of the same protein (UniProt Q9NTG7 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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