UniProt Q2YSF8
ATP-dependent Clp protease proteolytic subunit (Q2YSF8)
ATP-dependent Clp protease proteolytic subunit (UniProt Q2YSF8), EC 3.4.21.92: 6 experimental structures and 1 predicted model on GenesisL1, 3 ligands bound, 40 pockets. Binding sites, druggability and experiment against…
- UniProt
- Q2YSF8
- Protein
- ATP-dependent Clp protease proteolytic subunit
- EC
- 3.4.21.92
- Experimental structures
- 6
- Predicted models
- 1
- Ligands
- 3
- Pockets
- 40 · 2 records with a druggable one
Structures
7 records of Q2YSF8 in the MolNFT archive: 6 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5DL1 | ClpP from Staphylococcus aureus in complex with AV145 | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | 5C2 | — |
| 5DL1 | Clpp from staphylococcus aureus in complex with AV145 | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | — | — |
| 6L3X | Discovery of novel peptidomimetic boronate ClpP inhibitors with noncanonical enzyme mechanism as… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | E4U | 20 (best 0.70) |
| 6L3X | Discovery of novel peptidomimetic boronate clpp inhibitors with noncanonical enzyme mechanism as… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | E4U | — |
| 6L40 | Discovery of novel peptidomimetic boronate ClpP inhibitors with noncanonical enzyme mechanism as… | x-ray diffraction | E, A, B, C, D, F, G, H, I, J, K, L, M, N | FN3 | 20 (best 0.68) |
| 6L40 | Discovery of novel peptidomimetic boronate clpp inhibitors with noncanonical enzyme mechanism as… | x-ray diffraction | E, A, B, C, D, F, G, H, I, J, K, L, M, N | FN3 | — |
| Q2YSF8 | AlphaFold monomer V2.0 prediction for ATP-dependent clp protease proteolytic subunit (Q2YSF8) | predicted | A | — | — |
Ligands
- E4U · [(1~{R})-1-[[(2~{S})-2-[[2,5-bis(chloranyl) phenyl]carbonylamino]-3-(1~{H}-indol-3-yl) propanoyl]amino]-3-methyl-butyl]boronic acid · in 2 records
- FN3 · [(1S)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid · in 2 records
- 5C2 · 1-(propan-2-yl)-N-{[2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1H-pyrazolo[3,4-b]pyridine-5-carboxamide · in 1 record
Experiment against prediction
- 6L40 chain F against the predicted model Q2YSF8: TM-score 0.99, RMSD 0.40 Å
- 6L40 chain F against the predicted model Q2YSF8: TM-score 0.99, RMSD 0.40 Å
- 6L40 chain J against the predicted model Q2YSF8: TM-score 0.99, RMSD 0.43 Å
- 6L40 chain J against the predicted model Q2YSF8: TM-score 0.99, RMSD 0.43 Å
- 6L40 chain G against the predicted model Q2YSF8: TM-score 0.99, RMSD 0.45 Å
- 6L40 chain G against the predicted model Q2YSF8: TM-score 0.99, RMSD 0.45 Å
- 6L40 chain K against the predicted model Q2YSF8: TM-score 0.99, RMSD 0.45 Å
- 6L40 chain K against the predicted model Q2YSF8: TM-score 0.99, RMSD 0.45 Å
- 6L40 chain C against the predicted model Q2YSF8: TM-score 0.99, RMSD 0.45 Å
- 6L40 chain C against the predicted model Q2YSF8: TM-score 0.99, RMSD 0.45 Å
Elsewhere
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