PDB-code
| Kinase structure | |
| Kinase: | ABL1 |
| Family: | Abl |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1923 |
| PDB: | 2HZI |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2007-01-16 |
| PubMed: | 17164530 |
| Chain: | B |
| (Alternate) Model: | A |
| Orthosteric ligand: | JIN |
 | |
| More entries for 2HZI | |||||
| 2HZI | Alternative model: | A | Chain: | A | |
| 2HZI | Alternative model: | B | Chain: | A | |
| 2HZI | Alternative model: | B | Chain: | B | |
| Structural information | |
| DFG conformation: | out-like |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 55° (16.7Å) |
| G-rich loop rotation: | 2.3° |
| Quality Score: | 9.6 |
| Resolution: | 1.7 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 4 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate back | BP-I-A BP-I-B | Cluster I1 | Ligand No | Protein Yes |
| Pocket alignment | |
| Uniprot sequence: | HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS |
| Sequence structure: | HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL574058 |
| Bioaffinities: | 7 records for 4 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Epidermal growth factor receptor erbB1 | 6.4 | 6.4 | 6.4 | pIC50 | 1 |
| Homo sapiens | Fibroblast growth factor receptor 1 | 6 | 6 | 6 | pIC50 | 1 |
| Homo sapiens | Tyrosine- and threonine-specific cdc2-inhibitory kinase | 5.6 | 5.6 | 7 | pIC50 | 2 |
| Homo sapiens | Tyrosine- and threonine-specific cdc2-inhibitory kinase | 4.9 | 4.9 | 8 | pKi | 2 |
| Homo sapiens | Tyrosine-protein kinase SRC | 7.8 | 7.8 | 7.8 | 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 H 246 | 2 K 247 | 3 L 248 | 4 G 249 | 5 G 250 | 6 G 251 | 7 Q 252 | 8 Y 253 | 9 G 254 | 10 E 255 | 11 V 256 | 12 Y 257 | 13 E 258 | 14 V 268 | 15 A 269 | 16 V 270 | 17 K 271 | 18 T 272 | 19 L 273 | 20 E 282 |
| • | • | • | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 283 | 22 L 284 | 23 K 285 | 24 E 286 | 25 A 287 | 26 A 288 | 27 V 289 | 28 M 290 | 29 K 291 | 30 E 292 | 31 I 293 | 32 K 294 | 33 P 296 | 34 N 297 | 35 L 298 | 36 V 299 | 37 Q 300 | 38 L 301 | 39 L 302 | 40 G 303 |
| • | • | ||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 304 | 42 Y 312 | 43 I 313 | 44 I 314 | 45 T 315 | 46 E 316 | 47 F 317 | 48 M 318 | 49 T 319 | 50 Y 320 | 51 G 321 | 52 N 322 | 53 L 323 | 54 L 324 | 55 D 325 | 56 Y 326 | 57 L 327 | 58 R 328 | 59 E 329 | 60 Y 353 |
| • | • | • | •• | ••• | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 354 | 62 E 355 | 63 K 356 | 64 K 357 | 65 N 358 | 66 F 359 | 67 I 360 | 68 H 361 | 69 R 362 | 70 D 363 | 71 L 364 | 72 A 365 | 73 A 366 | 74 R 367 | 75 N 368 | 76 C 369 | 77 L 370 | 78 V 371 | 79 V 379 | 80 A 380 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 381 | 82 F 382 | 83 G 383 | 84 L 384 | 85 S 385 | |||||||||||||||
| • | •• | ||||||||||||||||||
Interaction pattern search
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