UniProt Q6DE08
Aurora kinase B-A (Q6DE08)
Aurora kinase B-A (UniProt Q6DE08), EC 2.7.11.1: 24 experimental structures and 1 predicted model on GenesisL1, 12 ligands bound, 151 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q6DE08
- Protein
- Aurora kinase B-A
- EC
- 2.7.11.1
- Experimental structures
- 24
- Predicted models
- 1
- Ligands
- 12
- Pockets
- 151 · 25 records with a druggable one
Structures
25 records of Q6DE08 in the MolNFT archive: 24 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2BFX | Mechanism of Aurora-B activation by INCENP and inhibition by Hesperadin. | x-ray diffraction | A, B | — | 5 (best 0.76) |
| 2BFX | Mechanism of aurora-B activation by incenp and inhibition by hesperadin. | x-ray diffraction | A, B | — | 5 (best 0.76) |
| 2BFY | Complex of Aurora-B with INCENP and Hesperadin. | x-ray diffraction | A, B | H1N | 7 (best 0.76) |
| 2BFY | Complex of aurora-B with incenp and hesperadin. | x-ray diffraction | A, B | H1N | 7 (best 0.76) |
| 2VGO | Crystal structure of Aurora B kinase in complex with Reversine inhibitor | x-ray diffraction | A, B | AD5 | 6 (best 0.75) |
| 2VGO | Crystal structure of aurora B kinase in complex with reversine inhibitor | x-ray diffraction | A, B | AD5 | 6 (best 0.75) |
| 2VGP | Crystal structure of Aurora B kinase in complex with a aminothiazole inhibitor | x-ray diffraction | A, B | AD6 | 7 (best 0.76) |
| 2VGP | Crystal structure of aurora B kinase in complex with a aminothiazole inhibitor | x-ray diffraction | A, B | AD6 | 7 (best 0.76) |
| 2VRX | Structure of Aurora B kinase in complex with ZM447439 | x-ray diffraction | A, B | 447 | 6 (best 0.76) |
| 2VRX | Structure of aurora B kinase in complex with ZM447439 | x-ray diffraction | A, B | 447 | 6 (best 0.76) |
| 3ZTX | Aurora kinase selective inhibitors identified using a Taxol-induced checkpoint sensitivity screen. | x-ray diffraction | A, B | ZTX | 7 (best 0.76) |
| 3ZTX | Aurora kinase selective inhibitors identified using a taxol- induced checkpoint sensitivity screen. | x-ray diffraction | A, B | ZTX | 7 (best 0.76) |
| 4B8L | Aurora B kinase P353G mutant | x-ray diffraction | A | A0P | 3 (best 0.68) |
| 4B8L | Aurora B kinase P353G mutant | x-ray diffraction | A | A0P | 3 (best 0.68) |
| 4B8M | Aurora B kinase in complex with VX-680 | x-ray diffraction | A, B | VX6 | 8 (best 0.75) |
| 4B8M | Aurora B kinase in complex with vx-680 | x-ray diffraction | A, B | VX6 | 8 (best 0.75) |
| 4C2V | Aurora B kinase in complex with the specific inhibitor Barasertib | x-ray diffraction | A, B | YJA | 5 (best 0.74) |
| 4C2V | Aurora B kinase in complex with the specific inhibitor barasertib | x-ray diffraction | A, B | YJA | 5 (best 0.74) |
| 4C2W | Crystal structure of Aurora B in complex with AMP-PNP | x-ray diffraction | A, B | ANP | 7 (best 0.76) |
| 4C2W | Crystal structure of aurora B in complex with AMP-pnp | x-ray diffraction | A, B | ANP | 7 (best 0.76) |
| 5EYK | Crystal structure of aurora B in complex with bi 847325 | x-ray diffraction | A, B | 5U5 | 6 (best 0.73) |
| 5EYK | Crystal structure of aurora B in complex with bi 847325 | x-ray diffraction | A, B | 5U5 | 6 (best 0.73) |
| 5K3Y | Crystal structure of AuroraB/INCENP in complex with BI 811283 | x-ray diffraction | A, B | 6Q4 | 7 (best 0.74) |
| 5K3Y | Crystal structure of AURORAB/INCENP in complex with bi 811283 | x-ray diffraction | A, B | TPO, 6Q4 | 7 (best 0.74) |
| Q6DE08 | AlphaFold monomer V2.0 prediction for aurora kinase B-a (Q6DE08) | predicted | A | — | 3 (best 0.76) |
Ligands
- 447 · N-(4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide · in 2 records
- 5U5 · 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide · in 2 records
- 6Q4 · N-methyl-N-(1-methylpiperidin-4-yl)-4-{[4-({(1R,2S)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide · in 2 records
- A0P · 9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-L-arabinofuranosyl}-9H-purin-6-amine · in 2 records
- AD5 · N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine · in 2 records
- AD6 · 4-[(5-bromo-1,3-thiazol-2-yl)amino]-N-methylbenzamide · in 2 records
- ANP · Phosphoaminophosphonic acid-adenylate ester · in 2 records
- H1N · N-[2-oxo-3-((E)-phenyl{[4-(piperidin-1-ylmethyl) phenyl]imino}methyl)-2,6-dihydro-1H-indol-5-yl]ethanesulfonamide · in 2 records
- VX6 · Cyclopropanecarboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)-pyrimidin-2-ylsulfanyl]-phenyl}-amide · in 2 records
- YJA · 2-[5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-3-yl]-N-(3-fluorophenyl)ethanamide · in 2 records
- ZTX · 2-((4-(4-hydroxypiperidin-1-yl)phenyl)amino)-5,11-dimethyl-5H-benzo[e]pyrimido [5,4-b][1,4]diazepin-6(11H)-one · in 2 records
- TPO · Phosphothreonine · in 1 record
Experiment against prediction
- 4B8M chain A against the predicted model Q6DE08: TM-score 0.99, RMSD 0.46 Å
- 4B8M chain A against the predicted model Q6DE08: TM-score 0.99, RMSD 0.46 Å
- 2VGP chain A against the predicted model Q6DE08: TM-score 0.99, RMSD 0.46 Å
- 2VGP chain A against the predicted model Q6DE08: TM-score 0.99, RMSD 0.46 Å
- 3ZTX chain A against the predicted model Q6DE08: TM-score 0.99, RMSD 0.47 Å
- 3ZTX chain A against the predicted model Q6DE08: TM-score 0.99, RMSD 0.47 Å
- 4C2W chain A against the predicted model Q6DE08: TM-score 0.99, RMSD 0.48 Å
- 4C2W chain A against the predicted model Q6DE08: TM-score 0.99, RMSD 0.48 Å
- 2VRX chain A against the predicted model Q6DE08: TM-score 0.99, RMSD 0.48 Å
- 2VRX chain A against the predicted model Q6DE08: TM-score 0.99, RMSD 0.48 Å
Elsewhere
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