Crystal structure of botulinum neurotoxin serotype a. Determined by X-ray diffraction at 3.2 Å resolution. Released 1 Oct 1999.
Explore 3BTA in 3D Show helices and sheets RCSB PDB PDBe
3BTA contains 49 α-helices and 81 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 | 12-13 | 2 | |
| β-strand | 18-22 | 5 | 1 |
| β-strand | 25 | 1 | 2 |
| β-strand | 32-38 | 7 | 1 |
| β-strand | 41-47 | 7 | 1 |
| α-helix | 53-55 | 3 | |
| α-helix | 60-61 | 2 | |
| α-helix | 80-98 | 19 | |
| α-helix | 101-112 | 12 | |
| α-helix | 130-132 | 3 | |
| β-strand | 133-137 | 5 | 1 |
| β-strand | 143-147 | 5 | 1 |
| β-strand | 150-154 | 5 | 1 |
| β-strand | 163-165 | 3 | 1 |
| β-strand | 167 | 1 | 3 |
| β-strand | 183-186 | 4 | 1 |
| β-strand | 191-192 | 2 | 4 |
| β-strand | 194-195 | 2 | 5 |
| α-helix | 200-202 | 3 | |
| α-helix | 211 | 1 | |
| β-strand | 212-213 | 2 | 5 |
| α-helix | 216-231 | 16 | |
| α-helix | 235-237 | 3 | |
| β-strand | 241 | 1 | 6 |
| β-strand | 244 | 1 | 7 |
| β-strand | 251 | 1 | 8 |
| β-strand | 258 | 1 | 6 |
| α-helix | 259-265 | 7 | |
| α-helix | 269-272 | 4 | |
| α-helix | 275-297 | 23 | |
| β-strand | 305 | 1 | 9 |
| α-helix | 309-320 | 12 | |
| β-strand | 323-324 | 2 | 10 |
| β-strand | 330-331 | 2 | 10 |
| α-helix | 334-342 | 9 | |
| α-helix | 343-347 | 5 | |
| α-helix | 350-356 | 7 | |
| β-strand | 373-374 | 2 | 4 |
| β-strand | 384 | 1 | 11 |
| β-strand | 388 | 1 | 11 |
| α-helix | 401-403 | 3 | |
| β-strand | 404 | 1 | 5 |
| α-helix | 409-411 | 3 | |
| β-strand | 413-414 | 2 | 4 |
| β-strand | 425-430 | 6 | 12 |
| β-strand | 453-457 | 5 | 12 |
| α-helix | 458-460 | 3 | |
| β-strand | 462 | 1 | 8 |
| β-strand | 465 | 1 | 7 |
| β-strand | 478-480 | 3 | 13 |
| α-helix | 484-486 | 3 | |
| α-helix | 495-503 | 9 | |
| β-strand | 516 | 1 | 9 |
| β-strand | 524 | 1 | 2 |
| β-strand | 527 | 1 | 3 |
| α-helix | 530-532 | 3 | |
| β-strand | 541-544 | 4 | 12 |
| α-helix | 549-554 | 6 | |
| α-helix | 572-575 | 4 | |
| α-helix | 587-593 | 7 | |
| α-helix | 603-616 | 14 | |
| β-strand | 621 | 1 | 14 |
| β-strand | 632 | 1 | 14 |
| α-helix | 634-636 | 3 | |
| α-helix | 651-658 | 8 | |
| α-helix | 660-663 | 4 | |
| α-helix | 667-669 | 3 | |
| β-strand | 678-680 | 3 | 13 |
| α-helix | 687-715 | 29 | |
| α-helix | 716-720 | 5 | |
| α-helix | 721-741 | 21 | |
| α-helix | 745-750 | 6 | |
| α-helix | 765-798 | 34 | |
| α-helix | 800-823 | 24 | |
| α-helix | 830-832 | 3 | |
| α-helix | 835-843 | 9 | |
| α-helix | 852-854 | 3 | |
| α-helix | 859-870 | 12 | |
| α-helix | 872-875 | 4 | |
| β-strand | 878-879 | 2 | 15 |
| β-strand | 880-883 | 4 | 16 |
| β-strand | 886-889 | 4 | 16 |
| β-strand | 894-899 | 6 | 17 |
| β-strand | 904-905 | 2 | 15 |
| β-strand | 912-916 | 5 | 15 |
| β-strand | 923-927 | 5 | 17 |
| α-helix | 934-937 | 4 | |
| β-strand | 940-947 | 8 | 15 |
| α-helix | 948-950 | 3 | |
| β-strand | 960-965 | 6 | 17 |
| β-strand | 974-978 | 5 | 17 |
| β-strand | 981-987 | 7 | 17 |
| β-strand | 993-999 | 7 | 17 |
| β-strand | 1013-1020 | 8 | 15 |
| β-strand | 1025-1030 | 6 | 15 |
| β-strand | 1033-1039 | 7 | 15 |
| β-strand | 1051-1057 | 7 | 17 |
| β-strand | 1065-1074 | 10 | 15 |
| α-helix | 1080-1089 | 10 | |
| β-strand | 1095 | 1 | 18 |
| β-strand | 1097 | 1 | 19 |
| β-strand | 1103 | 1 | 19 |
| α-helix | 1104 | 1 | |
| β-strand | 1105 | 1 | 20 |
| β-strand | 1110-1112 | 3 | 21 |
| β-strand | 1121-1124 | 4 | 22 |
| β-strand | 1133-1136 | 4 | 22 |
| β-strand | 1141 | 1 | 23 |
| α-helix | 1150 | 1 | |
| β-strand | 1151 | 1 | 23 |
| α-helix | 1152 | 1 | |
| β-strand | 1158-1162 | 5 | 21 |
| β-strand | 1172 | 1 | 20 |
| β-strand | 1174 | 1 | 18 |
| β-strand | 1178-1179 | 2 | 22 |
| β-strand | 1180-1185 | 6 | 21 |
| β-strand | 1188-1193 | 6 | 21 |
| β-strand | 1194 | 1 | 24 |
| β-strand | 1206-1208 | 3 | 21 |
| β-strand | 1217 | 1 | 24 |
| β-strand | 1220-1222 | 3 | 22 |
| β-strand | 1225 | 1 | 25 |
| β-strand | 1231 | 1 | 25 |
| β-strand | 1234 | 1 | 26 |
| β-strand | 1236-1238 | 3 | 22 |
| β-strand | 1247-1252 | 6 | 22 |
| β-strand | 1259-1263 | 5 | 22 |
| α-helix | 1264-1269 | 6 | |
| β-strand | 1280 | 1 | 26 |
| β-strand | 1283-1284 | 2 | 21 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Protein (botulinum neurotoxin type A) | A | protein | 1295 | Clostridium botulinum | P0DPI1 (AlphaFold model) |
>3BTA_1 PROTEIN (BOTULINUM NEUROTOXIN TYPE A) (chains A) PFVNKQFNYKDPVNGVDIAYIKIPNVGQMQPVKAFKIHNKIWVIPERDTFTNPEEGDLNP PPEAKQVPVSYYDSTYLSTDNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGS TIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPSADIIQFECKSFGHEVLNLTRNGYG STQYIRFSPDFTFGFEESLEVDTNPLLGAGKFATDPAVTLAHELIHAGHRLYGIAINPNR VFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQENEFRLYYYNKFKDIASTLNKAK SIVGTTASLQYMKNVFKEKYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKFFKVL NRKTYLNFDKAVFKINIVPKVNYTIYDGFNLRNTNLAANFNGQNTEINNMNFTKLKNFTG LFEFYKLLCVRGIITSKTKSLDKGYNKALNDLCIKVNNWDLFFSPSEDNFTNDLNKGEEI TSDTNIEAAEENISLDLIQQYYLTFNFDNEPENISIENLSSDIIGQLELMPNIERFPNGK KYELDKYTMFHYLRAQEFEHGKSRIALTNSVNEALLNPSRVYTFFSSDYVKKVNKATEAA MFLGWVEQLVYDFTDETSEVSTTDKIADITIIIPYIGPALNIGNMLYKDDFVGALIFSGA VILLEFIPEIAIPVLGTFALVSYIANKVLTVQTIDNALSKRNEKWDEVYKYIVTNWLAKV NTQIDLIRKKMKEALENQAEATKAIINYQYNQYTEEEKNNINFNIDDLSSKLNESINKAM ININKFLNQCSVSYLMNSMIPYGVKRLEDFDASLKDALLKYIYDNRGTLIGQVDRLKDKV NNTLSTDIPFQLSKYVDNQRLLSTFTEYIKNIINTSILNLRYESNHLIDLSRYASKINIG SKVNFDPIDKNQIQLFNLESSKIEVILKNAIVYNSMYENFSTSFWIRIPKYFNSISLNNE YTIINCMENNSGWKVSLNYGEIIWTLQDTQEIKQRVVFKYSQMINISDYINRWIFVTITN NRLNNSKIYINGRLIDQKPISNLGNIHASNNIMFKLDGCRDTHRYIWIKYFNLFDKELNE KEIKDLYDNQSNSGILKDFWGDYLQYDKPYYMLNLYDPNKYVDVNNVGIRGYMYLKGPRG SVMTTNIYLNSSLYRGTKFIIKKYASGNKDNIVRNNDRVYINVVVKNKEYRLATNASQAG VEKILSALEIPDVGNLSQVVVMKSKNDQGITNKCKMNLQDNNGNDIGFIGFHQFNNIAKL VASNWYNRQIERSSRTLGCSWEFIPVDDGWGERPL
| ID | Name | Formula | Copies |
|---|---|---|---|
| ZN | Zinc ion | Zn | 1 |
Crystal structure of botulinum neurotoxin type A and implications for toxicity. Lacy, D.B., Tepp, W., Cohen, A.C. et al. Nat Struct Biol (1998) 5:898-902. DOI 10.1038/2338 · PubMed
Other PDB entries of the same protein (UniProt P0DPI1 (AlphaFold model), which also has an AlphaFold model), best resolution first:
3BTA is part of these collections:
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