PDB-code
| Kinase structure | |
| Kinase: | SRC |
| Family: | Src |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2206 |
| PDB: | 7OTE |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2022-06-22 |
| PubMed: | 37848415 |
| Chain: | A |
| Orthosteric ligand: | 0LI |
 | |
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 58.5° (18.1Å) |
| G-rich loop rotation: | 53.8° |
| Quality Score: | 8.6 |
| Resolution: | 2.49 Å |
| Missing Residues: | 2 |
| Missing Atoms: | 6 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate back | BP-I-A BP-I-B BP-II-out BP-III BP-IV | |||
| Pocket alignment | |
| Uniprot sequence: | VKLGQGCFGEVWMVAIKTLAFLQEAQVMKKLREKLVQLYAVYIVTEYMSKGSLLDFLKGYVERMNYVHRDLRAANILVVADFGLA |
| Sequence structure: | VKLGQGCFGEVWMVAIKTLAFLQEAQVMKKLREKLVQLYAVYIVTEYMSKGSLLDFLKGYVERMNYVHRDLRAANILVVADFG__ |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1171837 |
| Bioaffinities: | 47 records for 16 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Fibroblast growth factor receptor 1 | 8.9 | 8.7 | 9.2 | pIC50 | 4 |
| Homo sapiens | Fibroblast growth factor receptor 2 | 8.9 | 8.9 | 8.9 | pIC50 | 1 |
| Homo sapiens | Fibroblast growth factor receptor 3 | 8 | 8 | 8 | pIC50 | 1 |
| Homo sapiens | Fibroblast growth factor receptor 4 | 8.2 | 8.2 | 8.2 | pIC50 | 1 |
| Homo sapiens | Platelet-derived growth factor receptor alpha | 8.6 | 8.6 | 8.6 | pIC50 | 1 |
| Homo sapiens | Platelet-derived growth factor receptor beta | 8.9 | 8.9 | 8.9 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase RIPK2 | 8.2 | 8.2 | 8.2 | pIC50 | 1 |
| Homo sapiens | Stem cell growth factor receptor | 8.8 | 8.3 | 8.8 | pIC50 | 3 |
| Homo sapiens | Tyrosine-protein kinase ABL | 9 | 8.1 | 9.5 | pIC50 | 18 |
| Homo sapiens | Tyrosine-protein kinase Lyn | 9.6 | 9.6 | 9.6 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 9.5 | 9.5 | 9.5 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor RET | 7.6 | 7.5 | 9.5 | pIC50 | 4 |
| Gallus gallus | Tyrosine-protein kinase SRC | 9.1 | 9.1 | 9.1 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase SRC | 8.5 | 8.5 | 8.6 | pIC50 | 2 |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 7.7 | 7.7 | 7.7 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 8.7 | 8.4 | 8.8 | pIC50 | 6 |
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 V 274 | 2 K 275 | 3 L 276 | 4 G 277 | 5 Q 278 | 6 G 279 | 7 C 280 | 8 F 281 | 9 G 282 | 10 E 283 | 11 V 284 | 12 W 285 | 13 M 286 | 14 V 295 | 15 A 296 | 16 I 297 | 17 K 298 | 18 T 299 | 19 L 300 | 20 A 309 |
| • | • | • | • | •• | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 310 | 22 L 311 | 23 Q 312 | 24 E 313 | 25 A 314 | 26 Q 315 | 27 V 316 | 28 M 317 | 29 K 318 | 30 K 319 | 31 L 320 | 32 R 321 | 33 E 323 | 34 K 324 | 35 L 325 | 36 V 326 | 37 Q 327 | 38 L 328 | 39 Y 329 | 40 A 330 |
| • | • | • | • | • | • | ||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 331 | 42 Y 338 | 43 I 339 | 44 V 340 | 45 T 341 | 46 E 342 | 47 Y 343 | 48 M 344 | 49 S 345 | 50 K 346 | 51 G 347 | 52 S 348 | 53 L 349 | 54 L 350 | 55 D 351 | 56 F 352 | 57 L 353 | 58 K 354 | 59 G 355 | 60 Y 379 |
| • | • | •• | •• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 V 380 | 62 E 381 | 63 R 382 | 64 M 383 | 65 N 384 | 66 Y 385 | 67 V 386 | 68 H 387 | 69 R 388 | 70 D 389 | 71 L 390 | 72 R 391 | 73 A 392 | 74 A 393 | 75 N 394 | 76 I 395 | 77 L 396 | 78 V 397 | 79 V 405 | 80 A 406 |
| •• | • | • | • | • | • | ||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 407 | 82 F 408 | 83 G 409 | 84 _ _ | 85 _ _ | |||||||||||||||
| • | •• | ||||||||||||||||||
Interaction pattern search
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