UniProt P10844
Botulinum neurotoxin type B (P10844)
Botulinum neurotoxin type B (UniProt P10844), EC 3.4.24.69: 56 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 19 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- P10844
- Protein
- Botulinum neurotoxin type B
- EC
- 3.4.24.69
- Experimental structures
- 56
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 19 · 1 record with a druggable one
Structures
57 records of P10844 in the MolNFT archive: 56 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1EPW | Crystal structure of clostridium neurotoxin type B | x-ray diffraction | A | — | — |
| 1EPW | Crystal structure of clostridium neurotoxin type B | x-ray diffraction | A | — | — |
| 1F31 | Crystal structure of clostridium botulinum neurotoxin B complexed with a trisaccharide | x-ray diffraction | A | — | — |
| 1F31 | Crystal structure of clostridium botulinum neurotoxin B complexed with a trisaccharide | x-ray diffraction | A | — | — |
| 1F82 | Botulinum neurotoxin type B catalytic domain | x-ray diffraction | A | — | — |
| 1F82 | Botulinum neurotoxin type B catalytic domain | x-ray diffraction | A | — | — |
| 1G9A | Crystal structure of clostridium botulinum neurotoxin B complexed with an inhibitor (experiment 3) | x-ray diffraction | A | — | — |
| 1G9A | Crystal structure of clostridium botulinum neurotoxin B complexed with an inhibitor (experiment 3) | x-ray diffraction | A | — | — |
| 1G9B | Crystal structure of clostridium botulinum neurotoxin B complexed with an inhibitor (experiment 1) | x-ray diffraction | A | — | — |
| 1G9B | Crystal structure of clostridium botulinum neurotoxin B complexed with an inhibitor (experiment 1) | x-ray diffraction | A | — | — |
| 1G9C | Crystal structure of clostridium botulinum neurotoxin B complexed with an inhibitor (experiment 4) | x-ray diffraction | A | — | — |
| 1G9C | Crystal structure of clostridium botulinum neurotoxin B complexed with an inhibitor (experiment 4) | x-ray diffraction | A | — | — |
| 1G9D | Crystal structure of clostridium botulinum neurotoxin B complexed with an inhibitor (experiment 2) | x-ray diffraction | A | — | — |
| 1G9D | Crystal structure of clostridium botulinum neurotoxin B complexed with an inhibitor (experiment 2) | x-ray diffraction | A | — | — |
| 1I1E | Crystal structure of clostridium botulinum neurotoxin B complexed with doxorubicin | x-ray diffraction | A | — | — |
| 1I1E | Crystal structure of clostridium botulinum neurotoxin B complexed with doxorubicin | x-ray diffraction | A | — | — |
| 1S0B | Crystal structure of botulinum neurotoxin type B at pH 4.0 | x-ray diffraction | A | — | — |
| 1S0B | Crystal structure of botulinum neurotoxin type B at pH 4.0 | x-ray diffraction | A | — | — |
| 1S0C | Crystal structure of botulinum neurotoxin type B at pH 5.0 | x-ray diffraction | A | — | — |
| 1S0C | Crystal structure of botulinum neurotoxin type B at pH 5.0 | x-ray diffraction | A | — | — |
| 1S0D | Crystal structure of botulinum neurotoxin type B at pH 5.5 | x-ray diffraction | A | — | — |
| 1S0D | Crystal structure of botulinum neurotoxin type B at pH 5.5 | x-ray diffraction | A | — | — |
| 1S0E | Crystal structure of botulinum neurotoxin type B at pH 6.0 | x-ray diffraction | A | — | — |
| 1S0E | Crystal structure of botulinum neurotoxin type B at pH 6.0 | x-ray diffraction | A | — | — |
| 1S0F | Crystal structure of botulinum neurotoxin type B at pH 7.0 | x-ray diffraction | A | — | — |
| 1S0F | Crystal structure of botulinum neurotoxin type B at pH 7.0 | x-ray diffraction | A | — | — |
| 1S0G | Crystal structure of botulinum neurotoxin type B apo form | x-ray diffraction | A | — | — |
| 1S0G | Crystal structure of botulinum neurotoxin type B apo form | x-ray diffraction | A | — | — |
| 1Z0H | N-terminal helix reorients in recombinant C-fragment of Clostridium botulinum type B | x-ray diffraction | A, B | — | — |
| 1Z0H | N-terminal helix reorients in recombinant C-fragment of clostridium botulinum type B | x-ray diffraction | A, B | — | — |
| 2ETF | Crystal structure of full length botulinum neurotoxin (Type B) light chain | x-ray diffraction | A, B | — | — |
| 2ETF | Crystal structure of full length botulinum neurotoxin (type B) light chain | x-ray diffraction | A, B | — | — |
| 2NM1 | Structure of BoNT/B in complex with its protein receptor | x-ray diffraction | A | — | — |
| 2NM1 | Structure of BONT/B in complex with its protein receptor | x-ray diffraction | A | — | — |
| 2NP0 | Crystal structure of the Botulinum neurotoxin type B complexed with synaptotagamin-II ectodomain | x-ray diffraction | A | — | — |
| 2NP0 | Crystal structure of the botulinum neurotoxin type B complexed with synaptotagamin-II ectodomain | x-ray diffraction | A | — | — |
| 2XHL | Structure of a functional derivative of Clostridium botulinum neurotoxin type B | x-ray diffraction | A, B | — | — |
| 2XHL | Structure of a functional derivative of clostridium botulinum neurotoxin type B | x-ray diffraction | A, B | — | — |
| 3ZUQ | Crystal structure of an engineered botulinum neurotoxin type B - derivative, LC-B-GS-Hn-B | x-ray diffraction | A | — | — |
| 3ZUQ | Crystal structure of an engineered botulinum neurotoxin type B-derivative, lc-B-gs-hn-B | x-ray diffraction | A | — | — |
| 4KBB | Structure of Botulinum neurotoxin B binding domain in complex with both synaptotagmin II and GD1a | x-ray diffraction | A, B | — | — |
| 4KBB | Structure of botulinum neurotoxin B binding domain in complex with both synaptotagmin II and GD1A | x-ray diffraction | A, B | — | — |
| 5VID | Receptor binding domain of BONT/B in complex with mini-protein binder BOT.0671.2 | x-ray diffraction | D, B, C, A, E | — | — |
| 5VMR | Receptor binding domain of BONT/B in complex with mini-protein binder BOT.2110.4 | x-ray diffraction | A, B | — | — |
| 6G5F | Crystal structure of an engineered botulinum neurotoxin type B mutant E1191M/S1199Y in complex with… | x-ray diffraction | A, B | — | — |
| 6G5G | Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with… | x-ray diffraction | A, B | MG | 19 (best 0.84) |
| 6G5G | Crystal structure of an engineered botulinum neurotoxin type B mutant E1191M/S1199Y in complex with… | x-ray diffraction | A, B | MG | — |
| 6G5K | Crystal structure of the binding domain of botulinum neurotoxin type B in complex with human… | x-ray diffraction | A, B | — | — |
| 6QNS | Crystal structure of the binding domain of botulinum neurotoxin type B mutant I1248W/V1249W in… | x-ray diffraction | A | NGA, GAL, SIA | — |
| 6UC6 | Crystal structure of BONT/B receptor-binding domain in complex with vhh jli-H11 | x-ray diffraction | A, B | — | — |
| 6UFT | Crystal structure of BONT/B receptor-binding domain in complex with vhh jlk-G12 | x-ray diffraction | A | SO4 | — |
| 6UHT | Crystal structure of BONT/B receptor-binding domain in complex with vhh jli-G10 | x-ray diffraction | A, B | — | — |
| 6UL4 | Crystal structure of BONT/B receptor-binding domain in complex with vhh jlo-G11 | x-ray diffraction | A | — | — |
| 7NA9 | Crystal structure of BONT/B-lc-jsg-C1 | x-ray diffraction | A | ZN | — |
| 7QFQ | Cryo-EM structure of botulinum neurotoxin serotype B | electron microscopy | A | — | — |
| 7T5F | Botulinum neurotoxin type B light chain complexed with nanobodies jlj- G3 and jne-B10 | x-ray diffraction | A, D | ZN, IOD | — |
| P10844 | AlphaFold monomer V2.0 prediction for botulinum neurotoxin type B (P10844) | predicted | A | — | — |
Ligands
Experiment against prediction
- 6G5G chain A against the predicted model P10844: TM-score 0.99, RMSD 0.85 Å
- 6G5G chain A against the predicted model P10844: TM-score 0.99, RMSD 0.85 Å
- 6UC6 chain A against the predicted model P10844: TM-score 0.98, RMSD 1.01 Å
- 4KBB chain A against the predicted model P10844: TM-score 0.98, RMSD 1.04 Å
- 4KBB chain A against the predicted model P10844: TM-score 0.98, RMSD 1.04 Å
- 2XHL chain A against the predicted model P10844: TM-score 0.98, RMSD 1.18 Å
- 2XHL chain A against the predicted model P10844: TM-score 0.98, RMSD 1.18 Å
- 3ZUQ chain A against the predicted model P10844: TM-score 0.98, RMSD 1.42 Å
- 3ZUQ chain A against the predicted model P10844: TM-score 0.98, RMSD 1.42 Å
- 6UC6 chain B against the predicted model P10844: TM-score 0.98, RMSD 1.07 Å
Elsewhere
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