PDB-code
| Kinase structure | |
| Kinase: | FGFR1 |
| Family: | FGFR |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1808 |
| PDB: | 5UR1 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2017-05-31 |
| PubMed: | 28521156 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | YY9 |
 | |
| More entries for 5UR1 | |||||
| 5UR1 | Alternative model: | A | Chain: | B | |
| 5UR1 | Alternative model: | B | Chain: | A | |
| 5UR1 | Alternative model: | B | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 61.2° (17.3Å) |
| G-rich loop rotation: | 58.8° |
| Quality Score: | 8.9 |
| Resolution: | 2.2 Å |
| Missing Residues: | 2 |
| Missing Atoms: | 3 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate back | BP-I-A BP-I-B | |||
| Pocket alignment | |
| Uniprot sequence: | KPLGEGCFGQVVLVAVKMLDLISEMEMMKMIGKNIINLLGAYVIVEYASKGNLREYLQAYLASKKCIHRDLAARNVLVIADFGLA |
| Sequence structure: | KPLGEG_FGQVVLVAVKMLDLISEMEMMKMIGKNIINLLGAYVIVEYASKGNLREYLQAYLASKKCIHRDLAARNVLVIADFGL_ |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL4096041 |
| Bioaffinities: | 4 records for 4 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Fibroblast growth factor receptor 1 | 9 | 9 | 9 | pIC50 | 1 |
| Homo sapiens | Fibroblast growth factor receptor 2 | 9.1 | 9.1 | 9.1 | pIC50 | 1 |
| Homo sapiens | Fibroblast growth factor receptor 3 | 8.3 | 8.3 | 8.3 | pIC50 | 1 |
| Homo sapiens | Fibroblast growth factor receptor 4 | 7.2 | 7.2 | 7.2 | 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 K 482 | 2 P 483 | 3 L 484 | 4 G 485 | 5 E 486 | 6 G 487 | 7 _ _ | 8 F 489 | 9 G 490 | 10 Q 491 | 11 V 492 | 12 V 493 | 13 L 494 | 14 V 511 | 15 A 512 | 16 V 513 | 17 K 514 | 18 M 515 | 19 L 516 | 20 D 527 |
| • | • | • | • | • | • | • | • | ||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 528 | 22 I 529 | 23 S 530 | 24 E 531 | 25 M 532 | 26 E 533 | 27 M 534 | 28 M 535 | 29 K 536 | 30 M 537 | 31 I 538 | 32 G 539 | 33 K 542 | 34 N 543 | 35 I 544 | 36 I 545 | 37 N 546 | 38 L 547 | 39 L 548 | 40 G 549 |
| • | • | • | |||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 550 | 42 Y 558 | 43 V 559 | 44 I 560 | 45 V 561 | 46 E 562 | 47 Y 563 | 48 A 564 | 49 S 565 | 50 K 566 | 51 G 567 | 52 N 568 | 53 L 569 | 54 R 570 | 55 E 571 | 56 Y 572 | 57 L 573 | 58 Q 574 | 59 A 575 | 60 Y 613 |
| • | • | •• | ••• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 614 | 62 A 615 | 63 S 616 | 64 K 617 | 65 K 618 | 66 C 619 | 67 I 620 | 68 H 621 | 69 R 622 | 70 D 623 | 71 L 624 | 72 A 625 | 73 A 626 | 74 R 627 | 75 N 628 | 76 V 629 | 77 L 630 | 78 V 631 | 79 I 639 | 80 A 640 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 641 | 82 F 642 | 83 G 643 | 84 L 644 | 85 _ _ | |||||||||||||||
| •• | • | ||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
