PDB-code
| Kinase structure | |
| Kinase: | DYRK2 |
| Family: | DYRK |
| Group: | CMGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2011 |
| PDB: | 7DHH |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2021-11-17 |
| PubMed: | 35439114 |
| Chain: | A |
| Orthosteric ligand: | H7L |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 57° (17.8Å) |
| G-rich loop rotation: | 62.8° |
| Quality Score: | 8 |
| Resolution: | 2.486 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I4 | Ligand Yes | Protein Yes |
| Pocket alignment | |
| Uniprot sequence: | KVIGKGSFGQVVKVALKMVQAAEEIRILEHLRMNVIHMLENCMTFELLS-MNLYELIKKALHKNRIIHCDLKPENILLVIDFGSS |
| Sequence structure: | KVIGKGSFGQVVKVALKMVQAAEEIRILEHLRMNVIHMLENCMTFELLS_MNLYELIKKALHKNRIIHCDLKPENILLVIDFGSS |
| Ligand affinity | |
| Ligand not found in ChEMBL. | |
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 226 | 2 V 227 | 3 I 228 | 4 G 229 | 5 K 230 | 6 G 231 | 7 S 232 | 8 F 233 | 9 G 234 | 10 Q 235 | 11 V 236 | 12 V 237 | 13 K 238 | 14 V 248 | 15 A 249 | 16 L 250 | 17 K 251 | 18 M 252 | 19 V 253 | 20 Q 262 |
| • | • | • | • | • | • | • | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 263 | 22 A 264 | 23 E 265 | 24 E 266 | 25 I 267 | 26 R 268 | 27 I 269 | 28 L 270 | 29 E 271 | 30 H 272 | 31 L 273 | 32 R 274 | 33 M 282 | 34 N 283 | 35 V 284 | 36 I 285 | 37 H 286 | 38 M 287 | 39 L 288 | 40 E 289 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 N 290 | 42 C 298 | 43 M 299 | 44 T 300 | 45 F 301 | 46 E 302 | 47 L 303 | 48 L 304 | 49 S 305 | 50 _ _ | 51 M 306 | 52 N 307 | 53 L 308 | 54 Y 309 | 55 E 310 | 56 L 311 | 57 I 312 | 58 K 313 | 59 K 314 | 60 A 338 |
| • | • | • | •• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 339 | 62 H 340 | 63 K 341 | 64 N 342 | 65 R 343 | 66 I 344 | 67 I 345 | 68 H 346 | 69 C 347 | 70 D 348 | 71 L 349 | 72 K 350 | 73 P 351 | 74 E 352 | 75 N 353 | 76 I 354 | 77 L 355 | 78 L 356 | 79 V 366 | 80 I 367 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 368 | 82 F 369 | 83 G 370 | 84 S 371 | 85 S 372 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
