PDB-code
| Kinase structure | |
| Kinase: | COQ8A (ADCK3) |
| Family: | ABC1 |
| Group: | Atypical |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1927 |
| PDB: | 5I35 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2016-08-17 |
| PubMed: | 27499294 |
| Chain: | A |
| Orthosteric ligand: | ANP |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 54.5° (17Å) |
| G-rich loop rotation: | 94.4° |
| Quality Score: | 7.6 |
| Resolution: | 2.3 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I2 | Ligand Yes | Protein Yes |
| Pocket alignment | |
| Uniprot sequence: | RPFAAASIGQVHLVAMKIQDYQREAACARKFRFYVPEIVDEVLTTELVSGFPLDQAEGLELFEFNFMQTDPNWSNFFYLLDFGAT |
| Sequence structure: | RPFAAASIGQVHLVAMKIQDYQREAACARKFRFYVPEIVDEVLTTELVSGFPLDQAEGLELFEFHFMQTDPNWSNFFYLLDFGAT |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1230989 |
| 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 334 | 2 P 335 | 3 F 336 | 4 A 337 | 5 A 338 | 6 A 339 | 7 S 340 | 8 I 341 | 9 G 342 | 10 Q 343 | 11 V 344 | 12 H 345 | 13 L 346 | 14 V 355 | 15 A 356 | 16 M 357 | 17 K 358 | 18 I 359 | 19 Q 360 | 20 D 407 |
| •• | • | • | •• | • | • | • | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 Y 408 | 22 Q 409 | 23 R 410 | 24 E 411 | 25 A 412 | 26 A 413 | 27 C 414 | 28 A 415 | 29 R 416 | 30 K 417 | 31 F 418 | 32 R 419 | 33 F 428 | 34 Y 429 | 35 V 430 | 36 P 431 | 37 E 432 | 38 I 433 | 39 V 434 | 40 D 435 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 E 436 | 42 V 442 | 43 L 443 | 44 T 444 | 45 T 445 | 46 E 446 | 47 L 447 | 48 V 448 | 49 S 449 | 50 G 450 | 51 F 451 | 52 P 452 | 53 L 453 | 54 D 454 | 55 Q 455 | 56 A 456 | 57 E 457 | 58 G 458 | 59 L 459 | 60 E 478 |
| • | • | • | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 479 | 62 F 480 | 63 E 481 | 64 F 482 | 65 H 483 | 66 F 484 | 67 M 485 | 68 Q 486 | 69 T 487 | 70 D 488 | 71 P 489 | 72 N 490 | 73 W 491 | 74 S 492 | 75 N 493 | 76 F 494 | 77 F 495 | 78 Y 496 | 79 L 505 | 80 L 506 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 507 | 82 F 508 | 83 G 509 | 84 A 510 | 85 T 511 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
