A potent peptidomimetic inhibitor of botulinum neurotoxin serotype A has a very different conformation than SNAP-25 substrate. Determined by X-ray diffraction at 1.9 Å resolution. Released 30 Sept 2008.
Explore 3DSE in 3D Show helices and sheets RCSB PDB PDBe
3DSE contains 19 α-helices and 25 β-strands across 1 chain. 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 | 13-14 | 2 | |
| β-strand | 19-23 | 5 | 1 |
| α-helix | 30-32 | 3 | |
| β-strand | 33-39 | 7 | 1 |
| β-strand | 42-48 | 7 | 1 |
| α-helix | 61-62 | 2 | |
| α-helix | 65-67 | 3 | |
| β-strand | 73 | 1 | 2 |
| α-helix | 81-99 | 19 | |
| α-helix | 102-113 | 12 | |
| α-helix | 115-117 | 3 | |
| β-strand | 119 | 1 | 3 |
| β-strand | 126-127 | 2 | 4 |
| β-strand | 128 | 1 | 3 |
| α-helix | 131-133 | 3 | |
| β-strand | 134-138 | 5 | 1 |
| α-helix | 139 | 1 | |
| β-strand | 144-148 | 5 | 1 |
| β-strand | 151-155 | 5 | 1 |
| β-strand | 159 | 1 | 2 |
| β-strand | 164-166 | 3 | 1 |
| β-strand | 184-187 | 4 | 1 |
| β-strand | 192-197 | 6 | 5 |
| β-strand | 212-214 | 3 | 5 |
| α-helix | 217-232 | 16 | |
| β-strand | 242-243 | 2 | 6 |
| β-strand | 258-259 | 2 | 6 |
| α-helix | 260-266 | 7 | |
| α-helix | 268-273 | 6 | |
| α-helix | 276-299 | 24 | |
| β-strand | 302-303 | 2 | 4 |
| α-helix | 310-321 | 12 | |
| β-strand | 324-325 | 2 | 7 |
| β-strand | 331-332 | 2 | 7 |
| α-helix | 335-343 | 9 | |
| α-helix | 344-348 | 5 | |
| α-helix | 351-358 | 8 | |
| β-strand | 372-375 | 4 | 5 |
| β-strand | 385 | 1 | 8 |
| β-strand | 389 | 1 | 8 |
| α-helix | 402-404 | 3 | |
| β-strand | 405 | 1 | 5 |
| α-helix | 410-412 | 3 | |
| β-strand | 414-415 | 2 | 5 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Botulinum neurotoxin type A | A | protein | 417 | Clostridium botulinum | P0DPI1 (AlphaFold model) |
>3DSE_1 Botulinum neurotoxin type A (chains A) MPFVNKQFNYKDPVNGVDIAYIKIPNAGQMQPVKAFKIHNKIWVIPERDTFTNPEEGDLN PPPEAKQVPVSYYDSTYLSTDNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGG STIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPSADIIQFECKSFGHEVLNLTRNGY GSTQYIRFSPDFTFGFEESLEVDTNPLLGAGKFATDPAVTLAHELIHAGHRLYGIAINPN RVFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQENEFRLYYYNKFKDIASTLNKA KSIVGTTASLQYMKNVFKEKYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKFFKV LNRKTYLNFDKAVFKINIVPKVNYTIYDGFNLRNTNLAANFNGQNTEINNMNFTKLK
A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has a Very Different Conformation than SNAP-25 Substrate. Zuniga, J.E., Schmidt, J.J., Fenn, T. et al. Structure (2008) 16:1588-1597. DOI 10.1016/j.str.2008.07.011 · PubMed
Other PDB entries of the same protein (UniProt P0DPI1 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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