PDB-code
| Kinase structure | |
| Kinase: | ZAP70 |
| Family: | Syk |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2285 |
| PDB: | 4K2R |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2013-05-08 |
| PubMed: | 23530057 |
| Chain: | A |
| Orthosteric ligand: | ANP |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 51.9° (15.1Å) |
| G-rich loop rotation: | 44.2° |
| Quality Score: | 8 |
| Resolution: | 3 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | ||||
| Pocket alignment | |
| Uniprot sequence: | IELGCGNFGSVRQVAIKVLEMMREAQIMHQLDPYIVRLIGVMLVMEMAGGGPLHKFLVGYLEEKNFVHRDLAARNVLLISDFGLS |
| Sequence structure: | IELGCGNFGSVRQVAIKVLEMMREAQIMHQLDPYIVRLIGVMLVMEMAGGGPLHKFLVGYLEEKNFVHRNLAARNVLLISDFGLS |
| 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 I 342 | 2 E 343 | 3 L 344 | 4 G 345 | 5 C 346 | 6 G 347 | 7 N 348 | 8 F 349 | 9 G 350 | 10 S 351 | 11 V 352 | 12 R 353 | 13 Q 354 | 14 V 366 | 15 A 367 | 16 I 368 | 17 K 369 | 18 V 370 | 19 L 371 | 20 E 382 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 M 383 | 22 M 384 | 23 R 385 | 24 E 386 | 25 A 387 | 26 Q 388 | 27 I 389 | 28 M 390 | 29 H 391 | 30 Q 392 | 31 L 393 | 32 D 394 | 33 P 396 | 34 Y 397 | 35 I 398 | 36 V 399 | 37 R 400 | 38 L 401 | 39 I 402 | 40 G 403 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 404 | 42 M 411 | 43 L 412 | 44 V 413 | 45 M 414 | 46 E 415 | 47 M 416 | 48 A 417 | 49 G 418 | 50 G 419 | 51 G 420 | 52 P 421 | 53 L 422 | 54 H 423 | 55 K 424 | 56 F 425 | 57 L 426 | 58 V 427 | 59 G 428 | 60 Y 451 |
| • | • | • | •• | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 452 | 62 E 453 | 63 E 454 | 64 K 455 | 65 N 456 | 66 F 457 | 67 V 458 | 68 H 459 | 69 R 460 | 70 N 461 | 71 L 462 | 72 A 463 | 73 A 464 | 74 R 465 | 75 N 466 | 76 V 467 | 77 L 468 | 78 L 469 | 79 I 477 | 80 S 478 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 479 | 82 F 480 | 83 G 481 | 84 L 482 | 85 S 483 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
