Structure of the binding domain of BoNT/A mutant Y1117V/H1253K in complex with the GD1a ganglioside receptor. Determined by X-ray diffraction at 1.8 Å resolution. Released 12 Feb 2025.
Explore 8RVH in 3D Show helices and sheets RCSB PDB PDBe
8RVH contains 9 α-helices and 43 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 |
|---|---|---|---|
| β-strand | 877-880 | 4 | 1 |
| β-strand | 881-884 | 4 | 2 |
| β-strand | 887-890 | 4 | 2 |
| β-strand | 897-900 | 4 | 3 |
| β-strand | 905-906 | 2 | 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 |
| α-helix | 1158 | 1 | |
| β-strand | 1159-1164 | 6 | 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 | 1221-1226 | 6 | 8 |
| β-strand | 1232-1240 | 9 | 8 |
| β-strand | 1246-1255 | 10 | 8 |
| β-strand | 1258-1264 | 7 | 8 |
| α-helix | 1265-1269 | 5 | |
| β-strand | 1282-1285 | 4 | 9 |
| α-helix | 1293-1295 | 3 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Botulinum neurotoxin A heavy chain | A | protein | 444 | Clostridium botulinum | P0DPI0 (AlphaFold model) |
>8RVH_1 Botulinum neurotoxin A heavy chain (chains A) MGSSHHHHHHSSGLVPRGSHMDTSILNLRYESNHLIDLSRYASKINIGSKVNFDPIDKNQ IQLFNLESSKIEVILKNAIVYNSMYENFSTSFWIRIPKYFNSISLNNEYTIINCMENNSG WKVSLNYGEIIWTLQDTQEIKQRVVFKYSQMINISDYINRWIFVTITNNRLNNSKIYING RLIDQKPISNLGNIHASNNIMFKLDGCRDTHRYIWIKYFNLFDKELNEKEIKDLYDNQSN SGILKDFWGDYLQYDKPYYMLNLVDPNKYVDVNNVGIRGYMYLKGPRGSVMTTNIYLNSS LYRGTKFIIKKYASGNKDNIVRNNDRVYINVVVKNKEYRLATNASQAGVEKILSALEIPD VGNLSQVVVMKSKNDQGITNKCKMNLQDNNGNDIGFIGFKQFNNIAKLVASNWYNRQIER SSRTLGCSWEFIPVDDGWGERPLQ
| ID | Name | Formula | Copies |
|---|---|---|---|
| SIA | N-acetyl-alpha-neuraminic acid | C11 H19 N O9 | 2 |
Botulinum neurotoxin A mutants with enhanced ganglioside binding show improved potency and altered ganglioside selectivity. Masuyer, G., Rummel, A., Stenmark, P. Commun Chem (2025) 8:171-171. DOI 10.1038/s42004-025-01569-0 · PubMed
Other PDB entries of the same protein (UniProt P0DPI0 (AlphaFold model), which also has an AlphaFold model), best resolution first:
MolViewer shows 8RVH directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.