PDB-code
| Kinase structure | |
| Kinase: | LIMK1 |
| Family: | LISK |
| Group: | TKL |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2054 |
| PDB: | 7ATS |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2020-11-25 |
| Chain: | A |
| Orthosteric ligand: | RXQ |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 54.2° (16.8Å) |
| G-rich loop rotation: | 49.3° |
| Quality Score: | 7.2 |
| Resolution: | 2.8 Å |
| Missing Residues: | 2 |
| Missing Atoms: | 97 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate | BP-I-B BP-II-in BP-II-A-in | |||
| Pocket alignment | |
| Uniprot sequence: | EVLGKGCFGQAIKMVMKELTFLKEVKVMRCLEPNVLKFIGVNFITEYIKGGTLRGIIKSYLHSMNIIHRDLNSHNCLVVADFGLA |
| Sequence structure: | EVLGKGCFGQAIKMVMKELTFLKEVKVMRCLEPNVLKFIGVNFITEYIKGGTLRGIIKSYLHSMNIIHRDLNSHNCLVVADFG__ |
| 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 E 343 | 2 V 344 | 3 L 345 | 4 G 346 | 5 K 347 | 6 G 348 | 7 C 349 | 8 F 350 | 9 G 351 | 10 Q 352 | 11 A 353 | 12 I 354 | 13 K 355 | 14 M 365 | 15 V 366 | 16 M 367 | 17 K 368 | 18 E 369 | 19 L 370 | 20 T 380 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 381 | 22 L 382 | 23 K 383 | 24 E 384 | 25 V 385 | 26 K 386 | 27 V 387 | 28 M 388 | 29 R 389 | 30 C 390 | 31 L 391 | 32 E 392 | 33 P 394 | 34 N 395 | 35 V 396 | 36 L 397 | 37 K 398 | 38 F 399 | 39 I 400 | 40 G 401 |
| • | • | • | |||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 402 | 42 N 410 | 43 F 411 | 44 I 412 | 45 T 413 | 46 E 414 | 47 Y 415 | 48 I 416 | 49 K 417 | 50 G 418 | 51 G 419 | 52 T 420 | 53 L 421 | 54 R 422 | 55 G 423 | 56 I 424 | 57 I 425 | 58 K 426 | 59 S 427 | 60 Y 450 |
| ••• | • | • | •• | •• | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 451 | 62 H 452 | 63 S 453 | 64 M 454 | 65 N 455 | 66 I 456 | 67 I 457 | 68 H 458 | 69 R 459 | 70 D 460 | 71 L 461 | 72 N 462 | 73 S 463 | 74 H 464 | 75 N 465 | 76 C 466 | 77 L 467 | 78 V 468 | 79 V 476 | 80 A 477 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 478 | 82 F 479 | 83 G 480 | 84 _ _ | 85 _ _ | |||||||||||||||
| ••• | •• | ||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
