UniProt P0DPI0
Botulinum neurotoxin A light chain (P0DPI0)
Botulinum neurotoxin A light chain (UniProt P0DPI0), EC 3.4.24.69: 13 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 31 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P0DPI0
- Protein
- Botulinum neurotoxin A light chain
- EC
- 3.4.24.69
- Experimental structures
- 13
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 31 · 3 records with a druggable one
Structures
14 records of P0DPI0 in the MolNFT archive: 13 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 6MHJ | Structure of BoNT mutant | x-ray diffraction | A | PO4 | — |
| 6MHJ | Structure of bont mutant | x-ray diffraction | A | PO4 | — |
| 6XCB | Structure of the C. botulinum neurotoxin serotype a light chain protease in complex with covalent… | x-ray diffraction | A | ZN, UZY | — |
| 6XCC | Structure of the C. botulinum neurotoxin serotype a light chain protease in complex with covalent… | x-ray diffraction | A | ZN, UZV | — |
| 6XCD | Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent… | x-ray diffraction | A | ZN, UZS | 5 (best 0.71) |
| 6XCD | Structure of the C. botulinum neurotoxin serotype a light chain protease in complex with covalent… | x-ray diffraction | A | ZN, UZS | — |
| 6XCE | Structure of the C. botulinum neurotoxin serotype a light chain protease in complex with covalent… | x-ray diffraction | A | UZM | — |
| 6XCF | Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with… | x-ray diffraction | A | UZP, ZN | — |
| 6XCF | Structure of the C. botulinum neurotoxin serotype a light chain protease in complex with… | x-ray diffraction | A | UZP, ZN | — |
| 7LZP | LC/A-jpu-B9-jpu-A11-jpu-G11 | x-ray diffraction | A, D | ZN | 16 (best 0.82) |
| 7LZP | LC/A-jpu-B9-jpu-A11-jpu-G11 | x-ray diffraction | A, D | ZN | — |
| 7M1H | Crystal structure of LC/A-JPU-C10-JPU-D12-JPU-B8-JPU-G3-ciA-F12-ciA-D12 | x-ray diffraction | A | ZN | 10 (best 0.83) |
| 7M1H | Crystal structure of LC/A-jpu-C10-jpu-D12-jpu-B8-jpu-G3-cia-F12-cia- D12 | x-ray diffraction | A | ZN | — |
| P0DPI0 | AlphaFold monomer V2.0 prediction for botulinum neurotoxin type a (P0DPI0) | predicted | A | — | — |
Ligands
- ZN · Zinc ion · in 10 records
- PO4 · Phosphate ion · in 2 records
- UZP · (3R)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-pentylpentanediamide · in 2 records
- UZS · N-hydroxy-7-sulfanylheptanamide · in 2 records
- UZM · (3S)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-(3-sulfanylpropyl)pentanediamide · in 1 record
- UZV · N-hydroxy-5-sulfanylpentanamide · in 1 record
- UZY · N-hydroxy-6-sulfanylhexanamide · in 1 record
Experiment against prediction
- 7LZP chain A against the predicted model P0DPI0: TM-score 0.96, RMSD 1.62 Å
- 7LZP chain A against the predicted model P0DPI0: TM-score 0.96, RMSD 1.62 Å
- 7LZP chain D against the predicted model P0DPI0: TM-score 0.95, RMSD 1.92 Å
- 7LZP chain D against the predicted model P0DPI0: TM-score 0.95, RMSD 1.92 Å
- 6XCF chain A against the predicted model P0DPI0: TM-score 0.95, RMSD 1.75 Å
- 6XCF chain A against the predicted model P0DPI0: TM-score 0.95, RMSD 1.75 Å
- 6XCC chain A against the predicted model P0DPI0: TM-score 0.95, RMSD 1.90 Å
- 6XCE chain A against the predicted model P0DPI0: TM-score 0.95, RMSD 1.78 Å
- 6XCD chain A against the predicted model P0DPI0: TM-score 0.95, RMSD 1.81 Å
- 6XCD chain A against the predicted model P0DPI0: TM-score 0.95, RMSD 1.81 Å
Elsewhere
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