UniProt Q00972
[3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial (Q00972)
[3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial (UniProt Q00972), EC 2.7.11.4: 32 experimental structures and 1 predicted model on GenesisL1, 6 ligands bound, 15 pockets. Binding sites, druggability and…
- UniProt
- Q00972
- Protein
- [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial
- EC
- 2.7.11.4
- Experimental structures
- 32
- Predicted models
- 1
- Ligands
- 6
- Pockets
- 15 · 2 records with a druggable one
Structures
33 records of Q00972 in the MolNFT archive: 32 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1GJV | Branched-chain alpha-ketoacid dehydrogenase kinase (BCK) complxed with ATP-gamma-S | x-ray diffraction | A | — | — |
| 1GJV | Branched-chain alpha-ketoacid dehydrogenase kinase (bck) complxed with ATP-gamma-S | x-ray diffraction | A | — | — |
| 1GKX | Branched-chain alpha-ketoacid dehydrogenase kinase (BCK) | x-ray diffraction | A | — | — |
| 1GKX | Branched-chain alpha-ketoacid dehydrogenase kinase (bck) | x-ray diffraction | A | — | — |
| 1GKZ | Branched-chain alpha-ketoacid dehydrogenase kinase (BCK) complxed with ADP | x-ray diffraction | A | — | — |
| 1GKZ | Branched-chain alpha-ketoacid dehydrogenase kinase (bck) complxed with ADP | x-ray diffraction | A | — | — |
| 3TZ0 | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/S-alpha-chloroisocaproate… | x-ray diffraction | A | — | — |
| 3TZ0 | Crystal structure of branched-chain alpha-ketoacid dehydrogenase KINASE/S-alpha-chloroisocaproate… | x-ray diffraction | A | — | — |
| 3TZ2 | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/phenylbutyrate complex | x-ray diffraction | A | — | — |
| 3TZ2 | Crystal structure of branched-chain alpha-ketoacid dehydrogenase KINASE/PHENYLBUTYRATE complex | x-ray diffraction | A | — | — |
| 3TZ4 | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/S-alpha-chloroisocaproate… | x-ray diffraction | A | — | — |
| 3TZ4 | Crystal structure of branched-chain alpha-ketoacid dehydrogenase KINASE/S-alpha-chloroisocaproate… | x-ray diffraction | A | — | — |
| 3TZ5 | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/phenylbutyrate complex with… | x-ray diffraction | A | — | — |
| 3TZ5 | Crystal structure of branched-chain alpha-ketoacid dehydrogenase KINASE/PHENYLBUTYRATE complex with… | x-ray diffraction | A | — | — |
| 3VAD | Crystal structure of I170F mutant branched-chain alpha-ketoacid dehydrogenase kinase in complex… | x-ray diffraction | A | — | — |
| 3VAD | Crystal structure of I170F mutant branched-chain alpha-ketoacid dehydrogenase kinase in complex… | x-ray diffraction | A | — | — |
| 4DZY | Crystal structure of branched-chain alpha-ketoacid dehydrogenase… | x-ray diffraction | A | — | — |
| 4DZY | Crystal structure of branched-chain alpha-ketoacid dehydrogenase… | x-ray diffraction | A | — | — |
| 4E00 | Crystal structure of branched-chain alpha-ketoacid dehydrogenase… | x-ray diffraction | A | — | — |
| 4E00 | Crystal structure of branched-chain alpha-ketoacid dehydrogenase… | x-ray diffraction | A | — | — |
| 4E01 | Crystal structure of branched-chain alpha-ketoacid dehydrogenase… | x-ray diffraction | A | — | — |
| 4E01 | Crystal structure of branched-chain alpha-ketoacid dehydrogenase… | x-ray diffraction | A | — | — |
| 4E02 | Crystal structure of branched-chain alpha-ketoacid dehydrogenase… | x-ray diffraction | A | — | — |
| 4E02 | Crystal structure of branched-chain alpha-ketoacid dehydrogenase… | x-ray diffraction | A | — | — |
| 4H7Q | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase in complex with… | x-ray diffraction | A | — | — |
| 4H7Q | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase in complex with… | x-ray diffraction | A | — | — |
| 4H81 | Crystal structure of branched-chain alpha-ketoacid dehydrogenase… | x-ray diffraction | A | — | — |
| 4H81 | Crystal structure of branched-chain alpha-ketoacid dehydrogenase… | x-ray diffraction | A | — | — |
| 4H85 | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(R)-alpha-chloroisocaproate… | x-ray diffraction | A | — | — |
| 4H85 | Crystal structure of branched-chain alpha-ketoacid dehydrogenase KINASE/(R)-alpha-chloroisocaproate… | x-ray diffraction | A | — | — |
| 8EGD | Branched chain ketoacid dehydrogenase kinase in complex with inhibitor | x-ray diffraction | A | ADP, MG, K, SO4, WIH | 8 (best 0.76) |
| 8F4Q | rat branched chain ketoacid dehydrogenase kinase in complex with inhibtors | x-ray diffraction | A | ADP, SO4, XER | 7 (best 0.73) |
| Q00972 | AlphaFold monomer V2.0 prediction for [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase… | predicted | A | — | — |
Ligands
Experiment against prediction
- 4H81 chain A against the predicted model Q00972: TM-score 0.99, RMSD 0.78 Å
- 4H81 chain A against the predicted model Q00972: TM-score 0.99, RMSD 0.78 Å
- 4H85 chain A against the predicted model Q00972: TM-score 0.99, RMSD 0.85 Å
- 4H85 chain A against the predicted model Q00972: TM-score 0.99, RMSD 0.85 Å
- 4H7Q chain A against the predicted model Q00972: TM-score 0.99, RMSD 0.89 Å
- 4H7Q chain A against the predicted model Q00972: TM-score 0.99, RMSD 0.89 Å
- 8F4Q chain A against the predicted model Q00972: TM-score 0.98, RMSD 0.83 Å
- 4E02 chain A against the predicted model Q00972: TM-score 0.98, RMSD 0.95 Å
- 4E02 chain A against the predicted model Q00972: TM-score 0.98, RMSD 0.95 Å
- 8EGD chain A against the predicted model Q00972: TM-score 0.98, RMSD 1.01 Å
Elsewhere
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