UniProt Q00534
Cyclin-dependent kinase 6 (Q00534)
Cyclin-dependent kinase 6 (UniProt Q00534), EC 2.7.11.22: 36 experimental structures and 1 predicted model on GenesisL1, 6 ligands bound, 9 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q00534
- Protein
- Cyclin-dependent kinase 6
- EC
- 2.7.11.22
- Experimental structures
- 36
- Predicted models
- 1
- Ligands
- 6
- Pockets
- 9 · 5 records with a druggable one
Structures
37 records of Q00534 in the MolNFT archive: 36 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1BI7 | Mechanism of G1 cyclin dependent kinase inhibition from the structure of the CDK6-P16INK4A tumor… | x-ray diffraction | A | — | — |
| 1BI7 | Mechanism of G1 cyclin dependent kinase inhibition from the structure of the CDK6-P16INK4A tumor… | x-ray diffraction | A | — | — |
| 1BI8 | Mechanism of G1 cyclin dependent kinase inhibition from the structures CDK6-P19INK4D inhibitor… | x-ray diffraction | A, C | — | — |
| 1BI8 | Mechanism of G1 cyclin dependent kinase inhibition from the structures CDK6-P19INK4D inhibitor… | x-ray diffraction | A, C | — | — |
| 1BLX | P19INK4D/CDK6 complex | x-ray diffraction | A | — | — |
| 1BLX | P19INK4D/CDK6 complex | x-ray diffraction | A | — | — |
| 1G3N | Structure of a P18(INK4C)-CDK6-K-cyclin ternary complex | x-ray diffraction | A, E | — | — |
| 1G3N | Structure of a P18(INK4C)-CDK6-K-cyclin ternary complex | x-ray diffraction | A, E | — | — |
| 1JOW | Crystal structure of a complex of human CDK6 and a viral cyclin | x-ray diffraction | B | — | — |
| 1JOW | Crystal structure of a complex of human CDK6 and a viral cyclin | x-ray diffraction | B | — | — |
| 1XO2 | Crystal structure of a human cyclin-dependent kinase 6 complex with a flavonol inhibitor, fisetin | x-ray diffraction | B | — | — |
| 1XO2 | Crystal structure of a human cyclin-dependent kinase 6 complex with a flavonol inhibitor, fisetin | x-ray diffraction | B | — | — |
| 2EUF | X-ray structure of human CDK6-Vcyclin in complex with the inhibitor PD0332991 | x-ray diffraction | B | — | — |
| 2EUF | X-ray structure of human CDK6-vcyclin in complex with the inhibitor PD0332991 | x-ray diffraction | B | — | — |
| 2F2C | X-ray structure of human CDK6-Vcyclinwith the inhibitor aminopurvalanol | x-ray diffraction | B | — | — |
| 2F2C | X-ray structure of human CDK6-vcyclinwith the inhibitor aminopurvalanol | x-ray diffraction | B | — | — |
| 3NUP | CDK6 (monomeric) in complex with inhibitor | x-ray diffraction | A | — | — |
| 3NUP | CDK6 (monomeric) in complex with inhibitor | x-ray diffraction | A | — | — |
| 3NUX | CDK6 (monomeric) in complex with inhibitor | x-ray diffraction | A | — | — |
| 3NUX | CDK6 (monomeric) in complex with inhibitor | x-ray diffraction | A | — | — |
| 4AUA | Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6) | x-ray diffraction | A | — | — |
| 4AUA | Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6) | x-ray diffraction | A | — | — |
| 4EZ5 | CDK6 (monomeric) in complex with inhibitor | x-ray diffraction | A | — | — |
| 4EZ5 | CDK6 (monomeric) in complex with inhibitor | x-ray diffraction | A | — | — |
| 4TTH | Crystal structure of a CDK6/Vcyclin complex with inhibitor bound | x-ray diffraction | B | — | — |
| 4TTH | Crystal structure of a CDK6/VCYCLIN complex with inhibitor bound | x-ray diffraction | B | — | — |
| 5L2I | The X-ray co-crystal structure of human CDK6 and Palbociclib. | x-ray diffraction | A | LQQ | 1 (best 0.70) |
| 5L2I | The X-ray co-crystal structure of human CDK6 and palbociclib. | x-ray diffraction | A | LQQ | — |
| 5L2S | The X-ray co-crystal structure of human CDK6 and Abemaciclib. | x-ray diffraction | A | 6ZV | 2 (best 0.62) |
| 5L2S | The X-ray co-crystal structure of human CDK6 and abemaciclib. | x-ray diffraction | A | 6ZV | — |
| 5L2T | The X-ray co-crystal structure of human CDK6 and Ribociclib. | x-ray diffraction | A | 6ZZ | 2 (best 0.71) |
| 5L2T | The X-ray co-crystal structure of human CDK6 and ribociclib. | x-ray diffraction | A | 6ZZ | — |
| 6OQL | CDK6 in complex with Cpd13 (R)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl… | x-ray diffraction | A | N1A | 2 (best 0.70) |
| 6OQL | CDK6 in complex with CPD13 (R)-5-fluoro-4-(4-methyl-5,6,7,8… | x-ray diffraction | A | N1A | — |
| 6OQO | CDK6 in complex with CPD24 N-(5-(6-ethyl-2,6-DIAZASPIRO[3.3]HEPTAN-2… | x-ray diffraction | A | N1J | — |
| 8I0M | Structure of CDK6 in complex with inhibitor | x-ray diffraction | A | NJ6 | 2 (best 0.67) |
| Q00534 | AlphaFold monomer V2.0 prediction for cyclin-dependent kinase 6 (Q00534) | predicted | A | — | — |
Ligands
- 6ZV · N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]pyrimidin-2-amine · in 2 records
- 6ZZ · 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl) pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide · in 2 records
- LQQ · 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one · in 2 records
- N1A · 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine · in 2 records
- N1J · N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine · in 1 record
- NJ6 · 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide · in 1 record
Experiment against prediction
- 3NUP chain A against the predicted model Q00534: TM-score 0.98, RMSD 0.77 Å
- 3NUP chain A against the predicted model Q00534: TM-score 0.98, RMSD 0.77 Å
- 6OQO chain A against the predicted model Q00534: TM-score 0.98, RMSD 0.80 Å
- 5L2S chain A against the predicted model Q00534: TM-score 0.98, RMSD 0.80 Å
- 5L2S chain A against the predicted model Q00534: TM-score 0.98, RMSD 0.80 Å
- 3NUX chain A against the predicted model Q00534: TM-score 0.98, RMSD 0.82 Å
- 3NUX chain A against the predicted model Q00534: TM-score 0.98, RMSD 0.82 Å
- 6OQL chain A against the predicted model Q00534: TM-score 0.98, RMSD 0.85 Å
- 6OQL chain A against the predicted model Q00534: TM-score 0.98, RMSD 0.85 Å
- 4EZ5 chain A against the predicted model Q00534: TM-score 0.98, RMSD 0.84 Å
Elsewhere
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