PDB-code
| Kinase structure | |
| Kinase: | ABL2 |
| Family: | Abl |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1924 |
| PDB: | 3HMI |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2009-07-07 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | DKI |
 | |
| More entries for 3HMI | |||||
| 3HMI | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | out-like |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 56.7° (16.7Å) |
| G-rich loop rotation: | 16.1° |
| Quality Score: | 9.5 |
| Resolution: | 1.65 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 5 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-I | Cluster I1 I5 | Ligand Yes No | Protein Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | HKLGGGQYGEVYVVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIVTEYMPYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS |
| Sequence structure: | HKLGGGQYGEVYVVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIVTEYMPYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL261720 |
| Bioaffinities: | 7 records for 5 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Dual specificity protein kinase CLK3 | 7.5 | 7.5 | 7.5 | pIC50 | 1 |
| Homo sapiens | Dual specificty protein kinase CLK1 | 8.1 | 8.1 | 8.1 | pIC50 | 1 |
| Homo sapiens | Glycogen synthase kinase-3 beta | 6.7 | 6.7 | 6.9 | pIC50 | 2 |
| Homo sapiens | Interferon-induced, double-stranded RNA-activated protein kinase | 5.8 | 5.8 | 5.8 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 7.5 | 7.5 | 7.5 | pIC50 | 2 |
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 H 292 | 2 K 293 | 3 L 294 | 4 G 295 | 5 G 296 | 6 G 297 | 7 Q 298 | 8 Y 299 | 9 G 300 | 10 E 301 | 11 V 302 | 12 Y 303 | 13 V 304 | 14 V 314 | 15 A 315 | 16 V 316 | 17 K 317 | 18 T 318 | 19 L 319 | 20 E 328 |
| • | • | •• | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 329 | 22 L 330 | 23 K 331 | 24 E 332 | 25 A 333 | 26 A 334 | 27 V 335 | 28 M 336 | 29 K 337 | 30 E 338 | 31 I 339 | 32 K 340 | 33 P 342 | 34 N 343 | 35 L 344 | 36 V 345 | 37 Q 346 | 38 L 347 | 39 L 348 | 40 G 349 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 350 | 42 Y 358 | 43 I 359 | 44 V 360 | 45 T 361 | 46 E 362 | 47 Y 363 | 48 M 364 | 49 P 365 | 50 Y 366 | 51 G 367 | 52 N 368 | 53 L 369 | 54 L 370 | 55 D 371 | 56 Y 372 | 57 L 373 | 58 R 374 | 59 E 375 | 60 Y 399 |
| • | •• | ••• | • | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 400 | 62 E 401 | 63 K 402 | 64 K 403 | 65 N 404 | 66 F 405 | 67 I 406 | 68 H 407 | 69 R 408 | 70 D 409 | 71 L 410 | 72 A 411 | 73 A 412 | 74 R 413 | 75 N 414 | 76 C 415 | 77 L 416 | 78 V 417 | 79 V 425 | 80 A 426 |
| • | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 427 | 82 F 428 | 83 G 429 | 84 L 430 | 85 S 431 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
