Crystal structure of the binding domain of Botulinum Neurotoxin type B mutant I1248W/V1249W in complex with human synaptotagmin 1 and GD1a receptors. Determined by X-ray diffraction at 2.4 Å resolution. Released 26 Feb 2020.
Explore 6QNS in 3D Show helices and sheets RCSB PDB PDBe
6QNS contains 9 α-helices and 44 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 | 864-867 | 4 | 1 |
| β-strand | 868-870 | 3 | 2 |
| β-strand | 875-877 | 3 | 2 |
| β-strand | 884-887 | 4 | 3 |
| β-strand | 892-893 | 2 | 1 |
| β-strand | 898-901 | 4 | 1 |
| β-strand | 909-912 | 4 | 3 |
| β-strand | 922 | 1 | 4 |
| β-strand | 927-933 | 7 | 1 |
| α-helix | 939-941 | 3 | |
| α-helix | 942-947 | 6 | |
| β-strand | 949-957 | 9 | 3 |
| β-strand | 960-967 | 8 | 3 |
| β-strand | 970-976 | 7 | 3 |
| β-strand | 982-988 | 7 | 3 |
| β-strand | 1003-1009 | 7 | 1 |
| β-strand | 1013-1018 | 6 | 1 |
| β-strand | 1021-1027 | 7 | 1 |
| β-strand | 1035 | 1 | 4 |
| β-strand | 1040-1045 | 6 | 3 |
| β-strand | 1054-1062 | 9 | 1 |
| α-helix | 1068-1079 | 12 | |
| β-strand | 1083 | 1 | 5 |
| β-strand | 1085 | 1 | 6 |
| β-strand | 1091 | 1 | 6 |
| α-helix | 1092 | 1 | |
| β-strand | 1093 | 1 | 7 |
| β-strand | 1098 | 1 | 8 |
| β-strand | 1099-1102 | 4 | 9 |
| β-strand | 1108-1112 | 5 | 8 |
| α-helix | 1113 | 1 | |
| β-strand | 1119-1123 | 5 | 8 |
| α-helix | 1124-1125 | 2 | |
| β-strand | 1126 | 1 | 10 |
| β-strand | 1137 | 1 | 10 |
| β-strand | 1145-1149 | 5 | 8 |
| β-strand | 1160 | 1 | 7 |
| β-strand | 1162 | 1 | 5 |
| β-strand | 1166-1173 | 8 | 8 |
| β-strand | 1176-1181 | 6 | 8 |
| β-strand | 1182-1183 | 2 | 11 |
| β-strand | 1190-1192 | 3 | 8 |
| α-helix | 1193 | 1 | |
| β-strand | 1194-1197 | 4 | 8 |
| β-strand | 1204-1205 | 2 | 11 |
| β-strand | 1207-1211 | 5 | 8 |
| β-strand | 1221 | 1 | 9 |
| β-strand | 1222-1226 | 5 | 8 |
| β-strand | 1234-1246 | 13 | 8 |
| β-strand | 1252-1260 | 9 | 8 |
| α-helix | 1263-1266 | 4 | |
| β-strand | 1280-1283 | 4 | 9 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 39-51 | 13 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Botulinum neurotoxin type B | A | protein | 442 | Clostridium botulinum | P10844 (AlphaFold model) |
| Synaptotagmin-1 | S | protein | 21 | Homo sapiens | P21579 (AlphaFold model) |
>6QNS_1 Botulinum neurotoxin type B (chains A) GSHMASMNSEILNNIILNLRYKDNNLIDLSGYGAKVEVYDGVELNDKNQFKLTSSANSKI RVTQNQNIIFNSVFLDFSVSFWIRIPKYKNDGIQNYIHNEYTIINCMKNNSGWKISIRGN RIIWTLIDINGKTKSVFFEYNIREDISEYINRWFFVTITNNLNNAKIYINGKLESNTDIK DIREVIANGEIIFKLDGDIDRTQFIWMKYFSIFNTELSQSNIEERYKIQSYSEYLKDFWG NPLMYNKEYYMFNAGNKNSYIKLKKDSPVGEILTRSKYNQNSKYINYRDLYIGEKFIIRR KSNSQSINDDIVRKEDYIYLDFFNLNQEWRVYTYKYFKKEEEKLFLAPISDSDEFYNTIQ IKEYDEQPTYSCQLLFKKDEESTDEIGLIGIHRFYESGWWFEEYKDYFCISKWYLKEVKR KPYNLKLGCNWQFIPKDEGWTE
>6QNS_2 Synaptotagmin-1 (chains S) GEGKEDAFSKLKEKFMNELHK
Characterization of a membrane binding loop leads to engineering botulinum neurotoxin B with improved therapeutic efficacy. Yin, L., Masuyer, G., Zhang, S. et al. PLoS Biol (2020) 18:e3000618-e3000618. DOI 10.1371/journal.pbio.3000618 · PubMed
Other PDB entries of the same protein (UniProt P10844 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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