PDB-code
| Kinase structure | |
| Kinase: | PRKCA (PKCa) |
| Family: | PKC |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1482 |
| PDB: | 8UAK |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2024-01-24 |
| PubMed: | 38198520 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | W39 |
 | |
| More entries for 8UAK | |||||
| 8UAK | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 54.6° (17Å) |
| G-rich loop rotation: | 36.6° |
| Quality Score: | 8 |
| Resolution: | 2.82 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | ||||
| Pocket alignment | |
| Uniprot sequence: | MVLGKGSFGKVMLYAIKILCTMVEKRVLALLDPFLTQLHSCYFVMEYVNGGDLMYHIQQFLHKRGIIYRDLKLDNVMLIADFGMC |
| Sequence structure: | MVLGKGSFGKVMLYAIKILCTMVEKRVLALLDPFLTQLHSCYFVMEYVNGGDLMYHIQQFLHKRGIIYRNLKLDNVMLIADFGMC |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL3982723 |
| Bioaffinities: | 3 records for 3 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Glycogen synthase kinase-3 beta | 5.5 | 5.5 | 5.5 | pIC50 | 1 |
| Homo sapiens | Protein kinase C alpha | 8.7 | 8.7 | 8.7 | pIC50 | 1 |
| Homo sapiens | Protein kinase C theta | 9.4 | 9.4 | 9.4 | 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 M 343 | 2 V 344 | 3 L 345 | 4 G 346 | 5 K 347 | 6 G 348 | 7 S 349 | 8 F 350 | 9 G 351 | 10 K 352 | 11 V 353 | 12 M 354 | 13 L 355 | 14 Y 365 | 15 A 366 | 16 I 367 | 17 K 368 | 18 I 369 | 19 L 370 | 20 C 383 |
| • | • | •• | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 T 384 | 22 M 385 | 23 V 386 | 24 E 387 | 25 K 388 | 26 R 389 | 27 V 390 | 28 L 391 | 29 A 392 | 30 L 393 | 31 L 394 | 32 D 395 | 33 P 398 | 34 F 399 | 35 L 400 | 36 T 401 | 37 Q 402 | 38 L 403 | 39 H 404 | 40 S 405 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 C 406 | 42 Y 414 | 43 F 415 | 44 V 416 | 45 M 417 | 46 E 418 | 47 Y 419 | 48 V 420 | 49 N 421 | 50 G 422 | 51 G 423 | 52 D 424 | 53 L 425 | 54 M 426 | 55 Y 427 | 56 H 428 | 57 I 429 | 58 Q 430 | 59 Q 431 | 60 F 453 |
| • | • | •• | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 454 | 62 H 455 | 63 K 456 | 64 R 457 | 65 G 458 | 66 I 459 | 67 I 460 | 68 Y 461 | 69 R 462 | 70 N 463 | 71 L 464 | 72 K 465 | 73 L 466 | 74 D 467 | 75 N 468 | 76 V 469 | 77 M 470 | 78 L 471 | 79 I 479 | 80 A 480 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 481 | 82 F 482 | 83 G 483 | 84 M 484 | 85 C 485 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
