UniProt Q3SX13
PKI peptide (Q3SX13)
PKI peptide (UniProt Q3SX13): 34 experimental structures and 1 predicted model on GenesisL1, 1 ligand bound, 2 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q3SX13
- Protein
- PKI peptide
- Experimental structures
- 34
- Predicted models
- 1
- Ligands
- 1
- Pockets
- 2 · 1 record with a druggable one
Structures
35 records of Q3SX13 in the MolNFT archive: 34 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2UZT | PKA structures of AKT, indazole-pyridine inhibitors | x-ray diffraction | B | — | — |
| 2UZT | PKA structures of AKT, indazole-pyridine inhibitors | x-ray diffraction | B | — | — |
| 2UZU | PKA structures of indazole-pyridine series of AKT inhibitors | x-ray diffraction | I | — | — |
| 2UZU | PKA structures of indazole-pyridine series of AKT inhibitors | x-ray diffraction | I | — | — |
| 2UZV | PKA structures of indazole-pyridine series of AKT inhibitors | x-ray diffraction | 2 | — | — |
| 2UZV | PKA structures of indazole-pyridine series of AKT inhibitors | x-ray diffraction | 2 | — | — |
| 2UZW | PKA structures of indazole-pyridine series of AKT inhibitors | x-ray diffraction | I | — | — |
| 2UZW | PKA structures of indazole-pyridine series of AKT inhibitors | x-ray diffraction | I | — | — |
| 3E8C | Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors | x-ray diffraction | G, H, I, J, K, L | — | — |
| 3E8C | Crystal structures of the kinase domain of PKA in complex with ATP- competitive inhibitors | x-ray diffraction | G, H, I, J, K, L | — | — |
| 3E8E | Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors | x-ray diffraction | G, C, F, J, N, Q | — | — |
| 3E8E | Crystal structures of the kinase domain of PKA in complex with ATP- competitive inhibitors | x-ray diffraction | G, C, F, J, N, Q | — | — |
| 3ZO1 | The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors | x-ray diffraction | I | — | — |
| 3ZO1 | The synthesis and evaluation of diazaspirocyclic protein kinase inhibitors | x-ray diffraction | I | — | — |
| 3ZO3 | The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors | x-ray diffraction | I | — | — |
| 3ZO3 | The synthesis and evaluation of diazaspirocyclic protein kinase inhibitors | x-ray diffraction | I | — | — |
| 3ZO4 | The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors | x-ray diffraction | I | — | — |
| 3ZO4 | The synthesis and evaluation of diazaspirocyclic protein kinase inhibitors | x-ray diffraction | I | — | — |
| 4C33 | PKA-S6K1 Chimera Apo | x-ray diffraction | I | — | — |
| 4C33 | PKA-S6K1 chimera apo | x-ray diffraction | I | — | — |
| 4C34 | PKA-S6K1 Chimera with Staurosporine bound | x-ray diffraction | I | — | — |
| 4C34 | PKA-S6K1 chimera with staurosporine bound | x-ray diffraction | I | — | — |
| 4C35 | PKA-S6K1 Chimera with compound 1 (NU1085) bound | x-ray diffraction | I | — | — |
| 4C35 | PKA-S6K1 chimera with compound 1 (NU1085) bound | x-ray diffraction | I | — | — |
| 4C36 | PKA-S6K1 Chimera with compound 15e (CCT147581) bound | x-ray diffraction | I | — | — |
| 4C36 | PKA-S6K1 chimera with compound 15E (CCT147581) bound | x-ray diffraction | I | — | — |
| 4C37 | PKA-S6K1 Chimera with compound 21a (CCT196539) bound | x-ray diffraction | I | — | — |
| 4C37 | PKA-S6K1 chimera with compound 21A (CCT196539) bound | x-ray diffraction | I | — | — |
| 4YXR | CRYSTAL STRUCTURE OF PKA IN COMPLEX WITH inhibitor. | x-ray diffraction | I | — | — |
| 4YXR | Crystal structure of PKA in complex with inhibitor. | x-ray diffraction | I | — | — |
| 5VHB | Crystal structure of protein kinase a in complex with the pki peptide and aminobenzothiazole based… | x-ray diffraction | B | — | — |
| 5VI9 | Crystal structure of protein kinase a in complex with the pki peptide and aminobenzothiazole based… | x-ray diffraction | B | — | — |
| 5VIB | Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based… | x-ray diffraction | B | 9D1 | 2 (best 0.77) |
| 5VIB | Crystal structure of protein kinase a in complex with the pki peptide and aminobenzothiazole based… | x-ray diffraction | B | 9D1 | — |
| Q3SX13 | AlphaFold monomer V2.0 prediction for camp-dependent protein kinase inhibitor alpha (Q3SX13) | predicted | A | — | — |
Ligands
- 9D1 · 3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol · in 2 records
Experiment against prediction
- 4C33 chain I against the predicted model Q3SX13: TM-score 0.47, RMSD 1.19 Å
- 4C33 chain I against the predicted model Q3SX13: TM-score 0.47, RMSD 1.19 Å
- 5VHB chain B against the predicted model Q3SX13: TM-score 0.45, RMSD 1.15 Å
- 3ZO1 chain I against the predicted model Q3SX13: TM-score 0.45, RMSD 1.23 Å
- 3ZO1 chain I against the predicted model Q3SX13: TM-score 0.45, RMSD 1.23 Å
- 3ZO3 chain I against the predicted model Q3SX13: TM-score 0.45, RMSD 1.14 Å
- 3ZO3 chain I against the predicted model Q3SX13: TM-score 0.45, RMSD 1.14 Å
- 4C36 chain I against the predicted model Q3SX13: TM-score 0.44, RMSD 1.19 Å
- 4C36 chain I against the predicted model Q3SX13: TM-score 0.44, RMSD 1.19 Å
- 5VIB chain B against the predicted model Q3SX13: TM-score 0.44, RMSD 2.31 Å
Elsewhere
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