PDB-code
| Kinase structure | |
| Kinase: | Src (SRC) |
| Family: | Src |
| Group: | TK |
| Species: | MOUSE |
| PDB: | 8XN8 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2024-01-24 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | ADP |
 | |
| More entries for 8XN8 | |||||
| 8XN8 | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 52.4° (15.4Å) |
| G-rich loop rotation: | 56.2° |
| Quality Score: | 8 |
| Resolution: | 1.95 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I3 I4 I5 I6 I7 I11 | Ligand Yes No No No Yes Yes Yes | Protein Yes Yes No Yes Yes No Yes | |
| Pocket alignment | |
| Uniprot sequence: | VKLGQGCFGEVWMVAIKTLAFLQEAQVMKKLREKLVQLYAVYIVTEYMNKGSLLDFLKGYVERMNYVHRDLRAANILVVADFGLA |
| Sequence structure: | VKLGQGCFGEVWMVAIKTLAFLQEAQVMKKLREKLVQLYAVYIVTEYMNKGSLLDFLKGYVERMNYVHRDLRAANILVVADFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL14830 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 7 | 4.2 | 4.2 | 5.4 | pKd | 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 V 273 | 2 K 274 | 3 L 275 | 4 G 276 | 5 Q 277 | 6 G 278 | 7 C 279 | 8 F 280 | 9 G 281 | 10 E 282 | 11 V 283 | 12 W 284 | 13 M 285 | 14 V 294 | 15 A 295 | 16 I 296 | 17 K 297 | 18 T 298 | 19 L 299 | 20 A 308 |
| • | • | • | • | • | •• | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 309 | 22 L 310 | 23 Q 311 | 24 E 312 | 25 A 313 | 26 Q 314 | 27 V 315 | 28 M 316 | 29 K 317 | 30 K 318 | 31 L 319 | 32 R 320 | 33 E 322 | 34 K 323 | 35 L 324 | 36 V 325 | 37 Q 326 | 38 L 327 | 39 Y 328 | 40 A 329 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 330 | 42 Y 337 | 43 I 338 | 44 V 339 | 45 T 340 | 46 E 341 | 47 Y 342 | 48 M 343 | 49 N 344 | 50 K 345 | 51 G 346 | 52 S 347 | 53 L 348 | 54 L 349 | 55 D 350 | 56 F 351 | 57 L 352 | 58 K 353 | 59 G 354 | 60 Y 378 |
| • | •• | •• | • | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 V 379 | 62 E 380 | 63 R 381 | 64 M 382 | 65 N 383 | 66 Y 384 | 67 V 385 | 68 H 386 | 69 R 387 | 70 D 388 | 71 L 389 | 72 R 390 | 73 A 391 | 74 A 392 | 75 N 393 | 76 I 394 | 77 L 395 | 78 V 396 | 79 V 404 | 80 A 405 |
| •• | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 406 | 82 F 407 | 83 G 408 | 84 L 409 | 85 A 410 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
