SIR2 complex structure mixture of ex-527 inhibitor and reaction products or of reaction substrates P53 peptide and NAD. Determined by X-ray diffraction at 1.9 Å resolution. Released 17 Jul 2013.
Explore 4BUZ in 3D Show helices and sheets RCSB PDB PDBe
4BUZ contains 15 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 | 4-12 | 9 | |
| β-strand | 16-20 | 5 | 1 |
| α-helix | 22-24 | 3 | |
| α-helix | 26-28 | 3 | |
| β-strand | 49 | 1 | 2 |
| α-helix | 50-55 | 6 | |
| α-helix | 57-67 | 11 | |
| α-helix | 69-73 | 5 | |
| α-helix | 78-88 | 11 | |
| β-strand | 94-97 | 4 | 1 |
| α-helix | 103-106 | 4 | |
| β-strand | 112-114 | 3 | 1 |
| β-strand | 117-124 | 8 | 3 |
| β-strand | 130-132 | 3 | 3 |
| α-helix | 133-139 | 7 | |
| β-strand | 147 | 1 | 4 |
| α-helix | 153 | 1 | |
| β-strand | 154 | 1 | 4 |
| β-strand | 155-159 | 5 | 3 |
| β-strand | 162 | 1 | 2 |
| β-strand | 165 | 1 | 5 |
| α-helix | 166-167 | 2 | |
| α-helix | 168-180 | 13 | |
| β-strand | 183-187 | 5 | 1 |
| β-strand | 193-194 | 2 | 6 |
| α-helix | 198-205 | 8 | |
| β-strand | 209-213 | 5 | 1 |
| α-helix | 221-223 | 3 | |
| β-strand | 226-228 | 3 | 1 |
| α-helix | 232-242 | 11 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 381 | 1 | 5 |
| β-strand | 383-384 | 2 | 6 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase | A | protein | 246 | THERMOTOGA MARITIMA | Q9WYW0 (AlphaFold model) |
| Cellular tumor antigen P53 | P | protein | 8 | HOMO SAPIENS | P04637 (AlphaFold model) |
>4BUZ_1 NAD-DEPENDENT PROTEIN DEACETYLASE (chains A) MKMKEFLDLLNESRLTVTLTGAGISTPSGIPDFRGPNGIYKKYSQNVFDIDFFYSHPEEF YRFAKEGIFPMLQAKPNLAHVLLAKLEEKGLIEAVITQNIDRLHQRAGSKKVIELHGNVE EYYCVRCEKKYTVEDVIKKLESSDVPLCDDCNSLIRPNIVFFGENLPQDALREAIGLSSR ASLMIVLGSSLVVYPAAELPLITVRSGGKLVIVNLGETPFDDIATLKYNMDVVEFARRVM EEGGIS
>4BUZ_2 CELLULAR TUMOR ANTIGEN P53 (chains P) RHKKLMFK
| ID | Name | Formula | Copies |
|---|---|---|---|
| NAD | Nicotinamide-adenine-dinucleotide | C21 H27 N7 O14 P2 | 1 |
| OAD | 2'-O-acetyl adenosine-5-diphosphoribose | C17 H25 N5 O15 P2 | 1 |
| ZN | Zinc ion | Zn | 1 |
| OCZ | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide | C13 H13 Cl N2 O | 1 |
Water and common crystallization additives (EDO) are not listed.
Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism. Gertz, M., Fischer, F., Nguyen, G.T.T. et al. Proc Natl Acad Sci U S A (2013) 110:E2772. DOI 10.1073/PNAS.1303628110 · PubMed
Other PDB entries of the same protein (UniProt Q9WYW0 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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