UniProt Q16654
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial (Q16654)
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial (UniProt Q16654), EC 2.7.11.2: 14 experimental structures and 1 predicted model on GenesisL1, 6 ligands bound, 15 pockets. Binding sites, druggability…
- UniProt
- Q16654
- Protein
- [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
- EC
- 2.7.11.2
- Experimental structures
- 14
- Predicted models
- 1
- Ligands
- 6
- Pockets
- 15 · 2 records with a druggable one
Structures
15 records of Q16654 in the MolNFT archive: 14 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2E0A | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with AMPPNP | x-ray diffraction | A, B | — | — |
| 2E0A | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with amppnp | x-ray diffraction | A, B | — | — |
| 2ZDX | Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4 | x-ray diffraction | A, B | — | — |
| 2ZDX | Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4 | x-ray diffraction | A, B | — | — |
| 2ZDY | Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4 | x-ray diffraction | A, B | — | — |
| 2ZDY | Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4 | x-ray diffraction | A, B | — | — |
| 2ZKJ | Crystal structure of human PDK4-ADP complex | x-ray diffraction | A, B | — | — |
| 2ZKJ | Crystal structure of human PDK4-ADP complex | x-ray diffraction | A, B | — | — |
| 3D2R | Crystal structure of pyruvate dehydrogenase kinase isoform 4 in complex with ADP | x-ray diffraction | A, B | — | — |
| 3D2R | Crystal structure of pyruvate dehydrogenase kinase isoform 4 in complex with ADP | x-ray diffraction | A, B | — | — |
| 7EAT | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 1 | x-ray diffraction | A, B | SO4, W6P | 11 (best 0.58) |
| 7EAT | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 1 | x-ray diffraction | A, B | SO4, W6P | — |
| 7EBB | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 2 | x-ray diffraction | A, B | SO4, 42A, MG, ADP | — |
| 7EBG | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 7 | x-ray diffraction | A, B | SO4, J0L, MG, ADP | — |
| Q16654 | AlphaFold monomer V2.0 prediction for [pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme… | predicted | A | — | 4 (best 0.73) |
Ligands
Experiment against prediction
- 7EBB chain A against the predicted model Q16654: TM-score 0.99, RMSD 0.60 Å
- 2ZDY chain B against the predicted model Q16654: TM-score 0.99, RMSD 0.71 Å
- 2ZDY chain B against the predicted model Q16654: TM-score 0.99, RMSD 0.71 Å
- 7EAT chain A against the predicted model Q16654: TM-score 0.99, RMSD 0.76 Å
- 7EAT chain A against the predicted model Q16654: TM-score 0.99, RMSD 0.76 Å
- 2E0A chain B against the predicted model Q16654: TM-score 0.99, RMSD 0.78 Å
- 2E0A chain B against the predicted model Q16654: TM-score 0.99, RMSD 0.78 Å
- 7EBG chain A against the predicted model Q16654: TM-score 0.99, RMSD 0.76 Å
- 2ZKJ chain A against the predicted model Q16654: TM-score 0.99, RMSD 0.82 Å
- 2ZKJ chain A against the predicted model Q16654: TM-score 0.99, RMSD 0.82 Å
Elsewhere
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