UniProt Q2M2I8
AP2-associated protein kinase 1 (Q2M2I8)
AP2-associated protein kinase 1 (UniProt Q2M2I8), EC 2.7.11.1: 7 experimental structures and 1 predicted model on GenesisL1, 5 ligands bound, 20 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- Q2M2I8
- Protein
- AP2-associated protein kinase 1
- EC
- 2.7.11.1
- Experimental structures
- 7
- Predicted models
- 1
- Ligands
- 5
- Pockets
- 20 · 4 records with a druggable one
Structures
8 records of Q2M2I8 in the MolNFT archive: 7 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4WSQ | Crystal structure of adaptor protein 2 associated kinase (AAK1) in complex with small molecule… | x-ray diffraction | A, B | — | — |
| 5L4Q | Crystal Structure of Adaptor Protein 2 Associated Kinase 1 (AAK1) in Complex with LKB1 (AAK1 Dual… | x-ray diffraction | A, B | LKB | 5 (best 0.69) |
| 5L4Q | Crystal structure of adaptor protein 2 associated kinase 1 (AAK1) in complex with LKB1 (AAK1 dual… | x-ray diffraction | A, B | LKB | — |
| 5TE0 | Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120 | x-ray diffraction | A | XIN | 3 (best 0.64) |
| 5TE0 | Crystal structure of adaptor protein 2 associated kinase (AAK1) in complex with bibf 1120 | x-ray diffraction | A | XIN | — |
| 8GMC | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 COMPLEXED WITH… | x-ray diffraction | A, B | YFV, SO4 | 7 (best 0.79) |
| 8GMD | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 COMPLEXED WITH… | x-ray diffraction | A, B | ZRR, SO4 | 5 (best 0.80) |
| Q2M2I8 | AlphaFold monomer V2.0 prediction for AP2-associated protein kinase 1 (Q2M2I8) | predicted | A | — | — |
Ligands
- LKB · ~{N}-[5-(4-cyanophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide · in 2 records
- SO4 · Sulfate ion · in 2 records
- XIN · Methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl) acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate · in 2 records
- YFV · 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-F][1,2, 4]triazin-4-amine · in 1 record
- ZRR · (5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol · in 1 record
Experiment against prediction
- 5TE0 chain A against the predicted model Q2M2I8: TM-score 0.99, RMSD 0.80 Å
- 5TE0 chain A against the predicted model Q2M2I8: TM-score 0.99, RMSD 0.80 Å
- 5L4Q chain B against the predicted model Q2M2I8: TM-score 0.98, RMSD 0.79 Å
- 5L4Q chain B against the predicted model Q2M2I8: TM-score 0.98, RMSD 0.79 Å
- 4WSQ chain A against the predicted model Q2M2I8: TM-score 0.98, RMSD 0.93 Å
- 8GMD chain A against the predicted model Q2M2I8: TM-score 0.98, RMSD 0.91 Å
- 8GMC chain A against the predicted model Q2M2I8: TM-score 0.98, RMSD 0.95 Å
- 5L4Q chain A against the predicted model Q2M2I8: TM-score 0.98, RMSD 0.94 Å
- 5L4Q chain A against the predicted model Q2M2I8: TM-score 0.98, RMSD 0.94 Å
- 4WSQ chain B against the predicted model Q2M2I8: TM-score 0.98, RMSD 1.20 Å
Elsewhere
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