PDB-code
| Kinase structure | |
| Kinase: | LIMK2 |
| Family: | LISK |
| Group: | TKL |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2055 |
| PDB: | 4TPT |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2014-10-22 |
| PubMed: | 25589930 |
| Chain: | A |
| Orthosteric ligand: | 35H |
 | |
| More entries for 4TPT | |||
| 4TPT | Chain: | B | |
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 60.5° (17Å) |
| G-rich loop rotation: | 49° |
| Quality Score: | 7.6 |
| Resolution: | 2.6 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| gate back | BP-I-B BP-II-out BP-III | Cluster I1 | Ligand No | Protein Yes |
| Pocket alignment | |
| Uniprot sequence: | EVLGKGFFGQAIKMVMKELTFLTEVKVMRSLDPNVLKFIGVNLLTEYIEGGTLKDFLRSYLHSMCIIHRDLNSHNCLIVADFGLS |
| Sequence structure: | EVLGKGFFGQAIKMVMKELTFLTEVKVMRSLDPNVLKFIGVNLLTEYIEGGTLKDFLRSYLHSMCIIHRDLNSHNCLIVADFGLS |
| 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 335 | 2 V 336 | 3 L 337 | 4 G 338 | 5 K 339 | 6 G 340 | 7 F 341 | 8 F 342 | 9 G 343 | 10 Q 344 | 11 A 345 | 12 I 346 | 13 K 347 | 14 M 357 | 15 V 358 | 16 M 359 | 17 K 360 | 18 E 361 | 19 L 362 | 20 T 372 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 373 | 22 L 374 | 23 T 375 | 24 E 376 | 25 V 377 | 26 K 378 | 27 V 379 | 28 M 380 | 29 R 381 | 30 S 382 | 31 L 383 | 32 D 384 | 33 P 386 | 34 N 387 | 35 V 388 | 36 L 389 | 37 K 390 | 38 F 391 | 39 I 392 | 40 G 393 |
| • | • | • | • | • | |||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 394 | 42 N 402 | 43 L 403 | 44 L 404 | 45 T 405 | 46 E 406 | 47 Y 407 | 48 I 408 | 49 E 409 | 50 G 410 | 51 G 411 | 52 T 412 | 53 L 413 | 54 K 414 | 55 D 415 | 56 F 416 | 57 L 417 | 58 R 418 | 59 S 419 | 60 Y 441 |
| • | • | ||||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 442 | 62 H 443 | 63 S 444 | 64 M 445 | 65 C 446 | 66 I 447 | 67 I 448 | 68 H 449 | 69 R 450 | 70 D 451 | 71 L 452 | 72 N 453 | 73 S 454 | 74 H 455 | 75 N 456 | 76 C 457 | 77 L 458 | 78 I 459 | 79 V 467 | 80 A 468 |
| • | •• | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 469 | 82 F 470 | 83 G 471 | 84 L 472 | 85 S 473 | |||||||||||||||
| •• | • | • | |||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
