UniProt P09616
Alpha-hemolysin (P09616)
Alpha-hemolysin (UniProt P09616): 24 experimental structures and 1 predicted model on GenesisL1, 2 ligands bound, 126 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P09616
- Protein
- Alpha-hemolysin
- Experimental structures
- 24
- Predicted models
- 1
- Ligands
- 2
- Pockets
- 126 · 7 records with a druggable one
Structures
25 records of P09616 in the MolNFT archive: 24 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3M2L | Crystal structure of the M113F mutant of alpha-hemolysin | x-ray diffraction | A, B, C, D, E, F, G | — | — |
| 3M2L | Crystal structure of the M113F mutant of alpha-hemolysin | x-ray diffraction | A, B, C, D, E, F, G | — | — |
| 3M3R | Crystal structure of the M113F alpha-hemolysin mutant complexed with beta-cyclodextrin | x-ray diffraction | A, B, C, D, E, F, G | — | — |
| 3M3R | Crystal structure of the M113F alpha-hemolysin mutant complexed with beta-cyclodextrin | x-ray diffraction | A, B, C, D, E, F, G | — | — |
| 3M4D | Crystal structure of the M113N mutant of alpha-hemolysin | x-ray diffraction | A, B, C, D, E, F, G | — | — |
| 3M4D | Crystal structure of the M113N mutant of alpha-hemolysin | x-ray diffraction | A, B, C, D, E, F, G | — | — |
| 3M4E | Crystal structure of the M113N mutant of alpha-hemolysin bound to beta-cyclodextrin | x-ray diffraction | A, B, C, D, E, F, G | — | — |
| 3M4E | Crystal structure of the M113N mutant of alpha-hemolysin bound to beta-cyclodextrin | x-ray diffraction | A, B, C, D, E, F, G | — | — |
| 4IDJ | S.Aureus a-hemolysin monomer in complex with Fab | x-ray diffraction | A | — | — |
| 4IDJ | S.AUREUS a-hemolysin monomer in complex with Fab | x-ray diffraction | A | — | — |
| 4YHD | Staphylococcal alpha-hemolysin H35A mutant monomer | x-ray diffraction | A, B, C, D, E, G | — | — |
| 4YHD | Staphylococcal alpha-hemolysin H35A mutant monomer | x-ray diffraction | A, B, C, D, E, G | — | — |
| 6U3T | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | x-ray diffraction | A, B | PQJ, SO4 | 6 (best 0.68) |
| 6U3T | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | x-ray diffraction | A, B | PQJ, SO4 | — |
| 6U49 | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | x-ray diffraction | A, B, C, D, E, F, G | PQJ, SO4 | 20 (best 0.80) |
| 6U49 | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | x-ray diffraction | A, B, C, D, E, F, G | PQJ, SO4 | — |
| 6U4P | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | x-ray diffraction | A, B, C, D, E, F, G | PQJ, SO4 | 20 (best 0.79) |
| 6U4P | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | x-ray diffraction | A, B, C, D, E, F, G | PQJ, SO4 | — |
| 7AHL | Alpha-hemolysin from staphylococcus aureus | x-ray diffraction | A, B, C, D, E, F, G | — | 20 (best 0.75) |
| 7AHL | Alpha-hemolysin from staphylococcus aureus | x-ray diffraction | A, B, C, D, E, F, G | — | — |
| 7O1Q | Amyloid beta oligomer displayed on the alpha hemolysin scaffold | electron microscopy | A, B, C, D, E, F, G | — | 20 (best 0.82) |
| 7O1Q | Amyloid beta oligomer displayed on the alpha hemolysin scaffold | electron microscopy | A, B, C, D, E, F, G | — | — |
| 8JX2 | alpha-Hemolysin(G122S/K147R)-SpyTag/SpyCatcher head to head 14-mer | electron microscopy | A, B, C, D, E, F, G, H, I, J, K, L, M, N | — | 20 (best 0.81) |
| 8JX3 | alpha-Hemolysin(G122S/K147R/K237C)-SpyTag/SpyCatcher head to head 14-mer | electron microscopy | A, B, C, D, E, F, G, H, I, J, K, L, M, N | — | 20 (best 0.80) |
| P09616 | AlphaFold monomer V2.0 prediction for alpha-hemolysin (P09616) | predicted | A | — | — |
Ligands
Experiment against prediction
- 6U3T chain A against the predicted model P09616: TM-score 0.99, RMSD 0.68 Å
- 6U3T chain A against the predicted model P09616: TM-score 0.99, RMSD 0.68 Å
- 4YHD chain G against the predicted model P09616: TM-score 0.98, RMSD 0.84 Å
- 4YHD chain G against the predicted model P09616: TM-score 0.98, RMSD 0.84 Å
- 4YHD chain E against the predicted model P09616: TM-score 0.98, RMSD 0.86 Å
- 4YHD chain E against the predicted model P09616: TM-score 0.98, RMSD 0.86 Å
- 4YHD chain C against the predicted model P09616: TM-score 0.98, RMSD 1.04 Å
- 4YHD chain C against the predicted model P09616: TM-score 0.98, RMSD 1.04 Å
- 6U3T chain B against the predicted model P09616: TM-score 0.98, RMSD 0.90 Å
- 6U3T chain B against the predicted model P09616: TM-score 0.98, RMSD 0.90 Å
Elsewhere
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