PDB-code
| Kinase structure | |
| Kinase: | DCLK1 |
| Family: | DCAMKL |
| Group: | CAMK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2005 |
| PDB: | 7KX6 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2021-09-22 |
| PubMed: | 34545159 |
| Chain: | A |
| Orthosteric ligand: | X7Y |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 7.3 |
| Resolution: | 2.5 Å |
| Missing Residues: | 2 |
| Missing Atoms: | 19 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-I | Cluster I1 I4 I5 I10 I11 | Ligand No No Yes Yes Yes | Protein Yes Yes Yes Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | RTIGDGNFAVVKEYALKIIMIQNEVSILRRVKPNIVLLIEEYLVMELVKGGDLFDAITSYLHSLNIVHRDIKPENLLVLGDFGLA |
| Sequence structure: | RTIGD__FAVVKEYALKIIMIQNEVSILRRVKPNIVLLIEEYLVMELVKGGDLFDAITSYLHSLNIVHRDIKPENLLVLGDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1673039 |
| Bioaffinities: | 7 records for 6 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Mitogen-activated protein kinase 7 | 6.7 | 6.7 | 6.7 | pIC50 | 1 |
| Homo sapiens | Mitogen-activated protein kinase 7 | 7.7 | 7.7 | 7.7 | pKd | 1 |
| Homo sapiens | Non-receptor tyrosine-protein kinase TNK1 | 7.5 | 7.5 | 7.5 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase DCLK1 | 8.9 | 8.9 | 8.9 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase DCLK2 | 8 | 8 | 8 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase GAK | 6.4 | 6.4 | 6.4 | pKd | 1 |
| Homo sapiens | Tyrosine kinase non-receptor protein 2 | 6.4 | 6.4 | 6.4 | pKd | 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 R 394 | 2 T 395 | 3 I 396 | 4 G 397 | 5 D 398 | 6 _ _ | 7 _ _ | 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
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