PDB-code
| Kinase structure | |
| Kinase: | DCLK1 |
| Family: | DCAMKL |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2005 |
| PDB: | 5JZJ |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2016-08-24 |
| PubMed: | 27545623 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | AN2 |
 | |
| More entries for 5JZJ | |||||
| 5JZJ | Alternative model: | A | Chain: | B | |
| 5JZJ | Alternative model: | B | Chain: | A | |
| 5JZJ | Alternative model: | B | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 49.9° (14.8Å) |
| G-rich loop rotation: | 48.2° |
| Quality Score: | 9.4 |
| Resolution: | 1.71 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 6 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I4 I5 I7 | Ligand No No Yes Yes | Protein Yes Yes Yes No | |
| Pocket alignment | |
| Uniprot sequence: | RTIGDGNFAVVKEYALKIIMIQNEVSILRRVKPNIVLLIEEYLVMELVKGGDLFDAITSYLHSLNIVHRDIKPENLLVLGDFGLA |
| Sequence structure: | RTIGDGNFAVVKEYALKIIMIQNEVSILRRVKPNIVLLIEEYLVMELVKGGDLFDAITSYLHSLNIVHRDIKPENLLVLGDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL574810 |
| Bioaffinities: | No (p)Ki/(p)IC50/(p)EC50 values for kinases found (confidence ≥ 8). |
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 R 394 | 2 T 395 | 3 I 396 | 4 G 397 | 5 D 398 | 6 G 399 | 7 N 400 | 8 F 401 | 9 A 402 | 10 V 403 | 11 V 404 | 12 K 405 | 13 E 406 | 14 Y 416 | 15 A 417 | 16 L 418 | 17 K 419 | 18 I 420 | 19 I 421 | 20 M 432 |
| • | • | • | •• | • | • | • | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 433 | 22 Q 434 | 23 N 435 | 24 E 436 | 25 V 437 | 26 S 438 | 27 I 439 | 28 L 440 | 29 R 441 | 30 R 442 | 31 V 443 | 32 K 444 | 33 P 446 | 34 N 447 | 35 I 448 | 36 V 449 | 37 L 450 | 38 L 451 | 39 I 452 | 40 E 453 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 E 454 | 42 Y 462 | 43 L 463 | 44 V 464 | 45 M 465 | 46 E 466 | 47 L 467 | 48 V 468 | 49 K 469 | 50 G 470 | 51 G 471 | 52 D 472 | 53 L 473 | 54 F 474 | 55 D 475 | 56 A 476 | 57 I 477 | 58 T 478 | 59 S 479 | 60 Y 501 |
| • | • | • | •• | •• | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 502 | 62 H 503 | 63 S 504 | 64 L 505 | 65 N 506 | 66 I 507 | 67 V 508 | 68 H 509 | 69 R 510 | 70 D 511 | 71 I 512 | 72 K 513 | 73 P 514 | 74 E 515 | 75 N 516 | 76 L 517 | 77 L 518 | 78 V 519 | 79 L 531 | 80 G 532 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 533 | 82 F 534 | 83 G 535 | 84 L 536 | 85 A 537 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
