PDB-code
| Kinase structure | |
| Kinase: | PAK3 |
| Family: | STE20 |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2135 |
| PDB: | 6FD3 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2018-01-03 |
| PubMed: | 30858169 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | ADP |
 | |
| More entries for 6FD3 | |||||
| 6FD3 | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 46.5° (14.1Å) |
| G-rich loop rotation: | 58° |
| Quality Score: | 8 |
| Resolution: | 1.52 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I1 I4 I5 I7 I11 | Ligand Yes No No Yes Yes | Protein Yes Yes Yes No Yes |
| Allosteric Ligand | |||||||||||||||||||
| Allosteric ligand: | T8L | ||||||||||||||||||
 | |||||||||||||||||||
| Pocket alignment | |
| Uniprot sequence: | EKIGQGASGTVYTVAIKQMLIINEILVMRENKPNIVNYLDSWVVMEYLAGGSLTDVVTEFLHSNQVIHRDIKSDNILLLTDFGFC |
| Sequence structure: | EKIGQGASGTVYTVAIKQMLIINEILVMRENKPNIVNYLDSWVVMEYLAGGSLTDVVTEFLHSNQVIHRDIKSDNILLLTDFGFC |
| 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 E 287 | 2 K 288 | 3 I 289 | 4 G 290 | 5 Q 291 | 6 G 292 | 7 A 293 | 8 S 294 | 9 G 295 | 10 T 296 | 11 V 297 | 12 Y 298 | 13 T 299 | 14 V 309 | 15 A 310 | 16 I 311 | 17 K 312 | 18 Q 313 | 19 M 314 | 20 L 324 |
| • | • | • | • | • | • | • | •• | ||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 325 | 22 I 326 | 23 N 327 | 24 E 328 | 25 I 329 | 26 L 330 | 27 V 331 | 28 M 332 | 29 R 333 | 30 E 334 | 31 N 335 | 32 K 336 | 33 P 338 | 34 N 339 | 35 I 340 | 36 V 341 | 37 N 342 | 38 Y 343 | 39 L 344 | 40 D 345 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 346 | 42 W 354 | 43 V 355 | 44 V 356 | 45 M 357 | 46 E 358 | 47 Y 359 | 48 L 360 | 49 A 361 | 50 G 362 | 51 G 363 | 52 S 364 | 53 L 365 | 54 T 366 | 55 D 367 | 56 V 368 | 57 V 369 | 58 T 370 | 59 E 371 | 60 F 392 |
| • | •• | •• | • | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 393 | 62 H 394 | 63 S 395 | 64 N 396 | 65 Q 397 | 66 V 398 | 67 I 399 | 68 H 400 | 69 R 401 | 70 D 402 | 71 I 403 | 72 K 404 | 73 S 405 | 74 D 406 | 75 N 407 | 76 I 408 | 77 L 409 | 78 L 410 | 79 L 418 | 80 T 419 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 420 | 82 F 421 | 83 G 422 | 84 F 423 | 85 C 424 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
