PDB-code
| Kinase structure | |
| Kinase: | MAP3K14 (NIK) |
| Family: | STE-Unique |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2074 |
| PDB: | 6Z1Q |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2020-07-08 |
| Chain: | B |
| (Alternate) Model: | A |
| Orthosteric ligand: | Q58 |
 | |
| More entries for 6Z1Q | |||||
| 6Z1Q | Alternative model: | A | Chain: | A | |
| 6Z1Q | Alternative model: | B | Chain: | A | |
| 6Z1Q | Alternative model: | B | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 49.1° (14.7Å) |
| G-rich loop rotation: | 76.1° |
| Quality Score: | 9.4 |
| Resolution: | 2.42 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 6 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I4 I5 I11 | Ligand No No Yes Yes | Protein Yes Yes Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | LRLGRGSFGEVHRCAVKKVFRAEELMACAGLTPRIVPLYGANIFMELLEGGSLGQLVKEYLHSRRILHGDVKADNVLLLCDFGHA |
| Sequence structure: | LRLGRGSFGEVHRCAVKKVFRAEELMACAGLTPRIVPLYGANIFMELLEGGSLGQLVKEYLHSRRILHGDVKADNVLLLCDFGHA |
| Ligand affinity | |
| Ligand not found in ChEMBL. | |
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 L 404 | 2 R 405 | 3 L 406 | 4 G 407 | 5 R 408 | 6 G 409 | 7 S 410 | 8 F 411 | 9 G 412 | 10 E 413 | 11 V 414 | 12 H 415 | 13 R 416 | 14 C 426 | 15 A 427 | 16 V 428 | 17 K 429 | 18 K 430 | 19 V 431 | 20 F 436 |
| •• | • | • | • | • | • | • | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 R 437 | 22 A 438 | 23 E 439 | 24 E 440 | 25 L 441 | 26 M 442 | 27 A 443 | 28 C 444 | 29 A 445 | 30 G 446 | 31 L 447 | 32 T 448 | 33 P 450 | 34 R 451 | 35 I 452 | 36 V 453 | 37 P 454 | 38 L 455 | 39 Y 456 | 40 G 457 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 458 | 42 N 466 | 43 I 467 | 44 F 468 | 45 M 469 | 46 E 470 | 47 L 471 | 48 L 472 | 49 E 473 | 50 G 474 | 51 G 475 | 52 S 476 | 53 L 477 | 54 G 478 | 55 Q 479 | 56 L 480 | 57 V 481 | 58 K 482 | 59 E 483 | 60 Y 505 |
| • | • | • | •• | • | • | • | • | ||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 506 | 62 H 507 | 63 S 508 | 64 R 509 | 65 R 510 | 66 I 511 | 67 L 512 | 68 H 513 | 69 G 514 | 70 D 515 | 71 V 516 | 72 K 517 | 73 A 518 | 74 D 519 | 75 N 520 | 76 V 521 | 77 L 522 | 78 L 523 | 79 L 532 | 80 C 533 |
| •• | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 534 | 82 F 535 | 83 G 536 | 84 H 537 | 85 A 538 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
