PDB-code
| Kinase structure | |
| Kinase: | PTK2 (FAK) |
| Family: | FAK |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2180 |
| PDB: | 4I4E |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2013-03-06 |
| PubMed: | 23414845 |
| Chain: | A |
| (Alternate) Model: | C |
| Orthosteric ligand: | 1BQ |
 | |
| More entries for 4I4E | |||||
| 4I4E | Alternative model: | A | Chain: | A | |
| 4I4E | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 63.7° (19.1Å) |
| G-rich loop rotation: | 88.5° |
| Quality Score: | 7.7 |
| Resolution: | 1.55 Å |
| Missing Residues: | 3 |
| Missing Atoms: | 11 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I5 | Ligand No No | Protein Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | RCIGEGQFGDVHQVAIKTCKFLQEALTMRQFDPHIVKLIGVWIIMELCTLGELRSFLQVYLESKRFVHRDIAARNVLVLGDFGLS |
| Sequence structure: | RCIGEGQFGDVHQVAIKTCKFLQEALTMRQFDPHIVKLIGVWIIMELCTLGELRSFLQVYLESKRFVHRDIAARNVLVLGDF___ |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL2333434 |
| Bioaffinities: | 1 record for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Focal adhesion kinase 1 | 6.3 | 6.3 | 6.3 | pIC50 | 1 |
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 426 | 2 C 427 | 3 I 428 | 4 G 429 | 5 E 430 | 6 G 431 | 7 Q 432 | 8 F 433 | 9 G 434 | 10 D 435 | 11 V 436 | 12 H 437 | 13 Q 438 | 14 V 451 | 15 A 452 | 16 I 453 | 17 K 454 | 18 T 455 | 19 C 456 | 20 K 467 |
| • | • | • | |||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 468 | 22 L 469 | 23 Q 470 | 24 E 471 | 25 A 472 | 26 L 473 | 27 T 474 | 28 M 475 | 29 R 476 | 30 Q 477 | 31 F 478 | 32 D 479 | 33 P 481 | 34 H 482 | 35 I 483 | 36 V 484 | 37 K 485 | 38 L 486 | 39 I 487 | 40 G 488 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 489 | 42 W 496 | 43 I 497 | 44 I 498 | 45 M 499 | 46 E 500 | 47 L 501 | 48 C 502 | 49 T 503 | 50 L 504 | 51 G 505 | 52 E 506 | 53 L 507 | 54 R 508 | 55 S 509 | 56 F 510 | 57 L 511 | 58 Q 512 | 59 V 513 | 60 Y 536 |
| • | •• | • | • | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 537 | 62 E 538 | 63 S 539 | 64 K 540 | 65 R 541 | 66 F 542 | 67 V 543 | 68 H 544 | 69 R 545 | 70 D 546 | 71 I 547 | 72 A 548 | 73 A 549 | 74 R 550 | 75 N 551 | 76 V 552 | 77 L 553 | 78 V 554 | 79 L 562 | 80 G 563 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 564 | 82 F 565 | 83 _ _ | 84 _ _ | 85 _ _ | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
