Crystal structure of the binding domain from botulinum neurotoxin A2 bound to extracellular domain of human receptor SV2C. Determined by X-ray diffraction at 2.0 Å resolution. Released 25 Apr 2018.
Explore 6ES1 in 3D Show helices and sheets RCSB PDB PDBe
6ES1 contains 9 α-helices and 60 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 |
|---|---|---|---|
| β-strand | 877-880 | 4 | 1 |
| β-strand | 881-883 | 3 | 2 |
| β-strand | 888-890 | 3 | 2 |
| β-strand | 897-900 | 4 | 3 |
| β-strand | 904-906 | 3 | 1 |
| β-strand | 914-917 | 4 | 1 |
| β-strand | 924-927 | 4 | 3 |
| α-helix | 930-932 | 3 | |
| β-strand | 935-936 | 2 | 4 |
| β-strand | 941-948 | 8 | 1 |
| α-helix | 950-952 | 3 | |
| α-helix | 955-957 | 3 | |
| β-strand | 962-969 | 8 | 3 |
| β-strand | 972-979 | 8 | 3 |
| β-strand | 982-988 | 7 | 3 |
| β-strand | 994-1000 | 7 | 3 |
| β-strand | 1015-1021 | 7 | 1 |
| β-strand | 1026-1031 | 6 | 1 |
| β-strand | 1034-1040 | 7 | 1 |
| β-strand | 1047-1048 | 2 | 4 |
| β-strand | 1052-1058 | 7 | 3 |
| β-strand | 1066-1075 | 10 | 1 |
| α-helix | 1081-1091 | 11 | |
| β-strand | 1096 | 1 | 5 |
| β-strand | 1098 | 1 | 6 |
| β-strand | 1104 | 1 | 6 |
| α-helix | 1105 | 1 | |
| β-strand | 1106 | 1 | 7 |
| β-strand | 1111 | 1 | 8 |
| β-strand | 1112-1115 | 4 | 9 |
| β-strand | 1122-1125 | 4 | 8 |
| β-strand | 1134-1137 | 4 | 8 |
| β-strand | 1142-1145 | 4 | 10 |
| β-strand | 1149-1152 | 4 | 10 |
| β-strand | 1160-1164 | 5 | 8 |
| β-strand | 1173 | 1 | 7 |
| β-strand | 1175 | 1 | 5 |
| β-strand | 1179-1186 | 8 | 8 |
| β-strand | 1189-1194 | 6 | 8 |
| β-strand | 1195 | 1 | 11 |
| β-strand | 1203-1205 | 3 | 8 |
| β-strand | 1207-1209 | 3 | 8 |
| α-helix | 1211-1213 | 3 | |
| β-strand | 1218 | 1 | 11 |
| β-strand | 1220-1226 | 7 | 8 |
| β-strand | 1232-1234 | 3 | 8 |
| β-strand | 1235 | 1 | 9 |
| β-strand | 1236-1240 | 5 | 8 |
| β-strand | 1246-1255 | 10 | 8 |
| β-strand | 1258-1264 | 7 | 8 |
| α-helix | 1265-1272 | 8 | |
| β-strand | 1282-1285 | 4 | 9 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 474-475 | 2 | |
| β-strand | 476-479 | 4 | 12 |
| β-strand | 482-483 | 2 | 10 |
| β-strand | 487-493 | 7 | 13 |
| β-strand | 495-498 | 4 | 12 |
| β-strand | 501-503 | 3 | 10 |
| β-strand | 506-513 | 8 | 13 |
| β-strand | 516-518 | 3 | 12 |
| β-strand | 521-525 | 5 | 10 |
| β-strand | 526-528 | 3 | 13 |
| β-strand | 531-533 | 3 | 13 |
| β-strand | 536-538 | 3 | 12 |
| β-strand | 541-545 | 5 | 10 |
| α-helix | 549-551 | 3 | |
| β-strand | 552-553 | 2 | 13 |
| β-strand | 556-558 | 3 | 12 |
| β-strand | 560-563 | 4 | 10 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Botulinum neurotoxin type A | A | protein | 445 | Clostridium botulinum | Q45894 (AlphaFold model) |
| Synaptic vesicle glycoprotein 2C | B | protein | 117 | Homo sapiens | Q496J9 (AlphaFold model) |
>6ES1_1 Botulinum neurotoxin type A (chains A) MGSSHHHHHHSSGENLYFQGHMVNTSILSIVYKKDDLIDLSRYGAKINIGDRVYYDSIDK NQIKLINLESSTIEVILKNAIVYNSMYENFSTSFWIKIPKYFSKINLNNEYTIINCIENN SGWKVSLNYGEIIWTLQDNKQNIQRVVFKYSQMVNISDYINRWIFVTITNNRLTKSKIYI NGRLIDQKPISNLGNIHASNKIMFKLDGCRDPRRYIMIKYFNLFDKELNEKEIKDLYDSQ SNSGILKDFWGNYLQYDKPYYMLNLFDPNKYVDVNNIGIRGYMYLKGPRGSVVTTNIYLN STLYEGTKFIIKKYASGNEDNIVRNNDRVYINVVVKNKEYRLATNASQAGVEKILSALEI PDVGNLSQVVVMKSKDDQGIRNKCKMNLQDNNGNDIGFIGFHLYDNIAKLVASNWYNRQV GKASRTFGCSWEFIPVDDGWGESSL
>6ES1_2 Synaptic vesicle glycoprotein 2C (chains B) MHHHHHHSSGVDLGTENLYFQSMERDKYANFTINFTMENQIHTGMEYDNGRFIGVKFKSV TFKDSVFKSCTFEDVTSVNTYFKNCTFIDTVFDNTDFEPYKFIDSEFKNCSFFHNKT
Crystal Structure of Botulinum Neurotoxin A2 in Complex with the Human Protein Receptor SV2C Reveals Plasticity in Receptor Binding. Gustafsson, R., Zhang, S., Masuyer, G. et al. Toxins (Basel) (2018) 10. DOI 10.3390/toxins10040153 · PubMed
Other PDB entries of the same protein (UniProt Q45894 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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