PDB-code
| Kinase structure | |
| Kinase: | DYRK3 |
| Family: | DYRK |
| Group: | CMGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2012 |
| PDB: | 5Y86 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2018-05-02 |
| PubMed: | 29634919 |
| Chain: | A |
| Orthosteric ligand: | HRM |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 49.9° (15.6Å) |
| G-rich loop rotation: | 51.2° |
| Quality Score: | 8 |
| Resolution: | 1.9 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I2 | Ligand No No | Protein Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | KIIGKGSFGQVARVALKMVQAAEEIRILEHLKMNVIHMLESCMAFELLS-IDLYELIKKALHKNKIIHCDLKPENILLVIDFGSS |
| Sequence structure: | KIIGKGSFGQVARVALKMVQAAEEIRILEHLKMNVIHMLESCMAFELLS_IDLYELIKKALHKNKIIHCDLKPENILLVIDFGSS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL269538 |
| Bioaffinities: | 57 records for 13 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Casein kinase I delta | 5.8 | 5.8 | 5.8 | pIC50 | 1 |
| Mus musculus | Dual specificity protein kinase CLK1 | 7.1 | 7.1 | 7.1 | pIC50 | 1 |
| Mus musculus | Dual specificity protein kinase CLK2 | 6.6 | 6.6 | 6.6 | pIC50 | 1 |
| Mus musculus | Dual specificity protein kinase CLK4 | 7.3 | 7.3 | 7.3 | pIC50 | 1 |
| Rattus norvegicus | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 7.5 | 7.3 | 7.5 | pIC50 | 3 |
| Homo sapiens | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 7.2 | 6.2 | 8.1 | pIC50 | 22 |
| Homo sapiens | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 7.5 | 7.5 | 7.5 | pKi | 1 |
| Homo sapiens | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 6.8 | 6.8 | 7.6 | pIC50 | 4 |
| Homo sapiens | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | Dual-specificity tyrosine-phosphorylation regulated kinase 2 | 6.1 | 5.5 | 6.9 | pIC50 | 8 |
| Homo sapiens | Dual-specificity tyrosine-phosphorylation regulated kinase 3 | 6.1 | 6.1 | 6.7 | pIC50 | 5 |
| Homo sapiens | Dual specificity tyrosine-phosphorylation-regulated kinase 4 | 4.1 | 4.1 | 5 | pIC50 | 3 |
| Homo sapiens | Dual specificty protein kinase CLK1 | 7.1 | 6.7 | 7.6 | pIC50 | 4 |
| Homo sapiens | Serine/threonine-protein kinase haspin | 6.2 | 6.2 | 6.2 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase PIM3 | 5.4 | 5.4 | 5.4 | pIC50 | 1 |
Kinase-ligand interaction pattern
• Hydrophobic • Aromatic face-to-face • Aromatic face-to-edge • H-bond donor • H-bond acceptor • Ionic positive • Ionic negative
| I | g.l | II | III | αC | |||||||||||||||
| 1 K 213 | 2 I 214 | 3 I 215 | 4 G 216 | 5 K 217 | 6 G 218 | 7 S 219 | 8 F 220 | 9 G 221 | 10 Q 222 | 11 V 223 | 12 A 224 | 13 R 225 | 14 V 235 | 15 A 236 | 16 L 237 | 17 K 238 | 18 M 239 | 19 V 240 | 20 Q 249 |
| • | • | • | • | •• | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 250 | 22 A 251 | 23 E 252 | 24 E 253 | 25 I 254 | 26 R 255 | 27 I 256 | 28 L 257 | 29 E 258 | 30 H 259 | 31 L 260 | 32 K 261 | 33 M 269 | 34 N 270 | 35 V 271 | 36 I 272 | 37 H 273 | 38 M 274 | 39 L 275 | 40 E 276 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 277 | 42 C 285 | 43 M 286 | 44 A 287 | 45 F 288 | 46 E 289 | 47 L 290 | 48 L 291 | 49 S 292 | 50 _ _ | 51 I 293 | 52 D 294 | 53 L 295 | 54 Y 296 | 55 E 297 | 56 L 298 | 57 I 299 | 58 K 300 | 59 K 301 | 60 A 325 |
| •• | • | • | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 326 | 62 H 327 | 63 K 328 | 64 N 329 | 65 K 330 | 66 I 331 | 67 I 332 | 68 H 333 | 69 C 334 | 70 D 335 | 71 L 336 | 72 K 337 | 73 P 338 | 74 E 339 | 75 N 340 | 76 I 341 | 77 L 342 | 78 L 343 | 79 V 353 | 80 I 354 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 355 | 82 F 356 | 83 G 357 | 84 S 358 | 85 S 359 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
