5JKG - chain A | Fibroblast growth factor receptor 4
Structure information
PDB: | 5JKG |
PubMed: | 27618313 |
Release date: | 2016-10-05 |
Resolution: | 2.35 Å |
Kinase: | FGFR4 |
Family: | FGFR |
Group: | TK |
Species: | HUMAN |
Quality Score: | 7.6 |
Missing Residues: | 1 |
Missing Atoms: | 0 |
DFG conformation: | in |
αC-helix conformation: | in |
Salt bridge KIII.17 and EαC.24: | Yes (2.7Å) |
ASP rotation (xDFG.81) : | 327° |
PHE rotation (xDFG.82) : | 321° |
Activation loop position: | -5.5Å |
αC-helix position: | 18.7Å |
G-rich loop angle: | 59° |
G-rich loop distance: | 17.1Å |
G-rich loop rotation: | 57.2° |
2D & 3D views

Binding pocket waters
No waters were found in the defined clusters
Binding pocket sequence
Uniprot | KPLGEGCFGQVVRVAVKMLDLVSEMEVMKLIGKNIINLLGVYVIVECAAKGNLREFLRAYLESRKCIHRDLAARNVLVIADFGLA |
Structure: | KPLGEGAFGQVVRVAVKMLDLVSEMEVMKLIGKNIINLLGVYVIVECAAKGNLREFLRAYLESRKCIHRDLAARNVLVIADFGL_ |
Modified residues
No modified residues identified.
Orthosteric ligand

Ligand HET-code: 6LF
Ligand Name: 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
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- LABELS
- KLIFS residue #
- Amino Acid
- None
- COLORS
- Interaction types
- KLIFS (all res.)
- KLIFS (interacting res.)
- None
- OTHER
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This ligand targets the following (sub)pockets:
Main pockets | |
---|---|
Front | |
Gate | |
Back |
Subpockets | |
---|---|
FP-I | |
FP-II | |
BP-I-A | |
BP-I-B | |
BP-II-in | |
BP-II-A-in | |
BP-II-B-in | |
BP-II-out | |
BP-II-B | |
BP-III | |
BP-IV | |
BP-V |
Kinase-ligand interactions
■ 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 471 | 2 P 472 | 3 L 473 | 4 G 474 | 5 E 475 | 6 G 476 | 7 A 477 | 8 F 478 | 9 G 479 | 10 Q 480 | 11 V 481 | 12 V 482 | 13 R 483 | 14 V 500 | 15 A 501 | 16 V 502 | 17 K 503 | 18 M 504 | 19 L 505 | 20 D 516 |
■ | ■ | ■ | ■ | ■ | ■ | ||||||||||||||
αC | b.l | IV | |||||||||||||||||
21 L 517 | 22 V 518 | 23 S 519 | 24 E 520 | 25 M 521 | 26 E 522 | 27 V 523 | 28 M 524 | 29 K 525 | 30 L 526 | 31 I 527 | 32 G 528 | 33 K 531 | 34 N 532 | 35 I 533 | 36 I 534 | 37 N 535 | 38 L 536 | 39 L 537 | 40 G 538 |
■ | |||||||||||||||||||
IV | V | GK | hinge | linker | αD | αE | |||||||||||||
41 V 539 | 42 Y 547 | 43 V 548 | 44 I 549 | 45 V 550 | 46 E 551 | 47 C 552 | 48 A 553 | 49 A 554 | 50 K 555 | 51 G 556 | 52 N 557 | 53 L 558 | 54 R 559 | 55 E 560 | 56 F 561 | 57 L 562 | 58 R 563 | 59 A 564 | 60 Y 602 |
■ | ▲ | ■ | ■▲ | ■ | ■ | ■ | ■▲ | ||||||||||||
αE | VI | c.l | VII | VIII | x | ||||||||||||||
61 L 603 | 62 E 604 | 63 S 605 | 64 R 606 | 65 K 607 | 66 C 608 | 67 I 609 | 68 H 610 | 69 R 611 | 70 D 612 | 71 L 613 | 72 A 614 | 73 A 615 | 74 R 616 | 75 N 617 | 76 V 618 | 77 L 619 | 78 V 620 | 79 I 628 | 80 A 629 |
■ | ■ | ■ | |||||||||||||||||
DFG | a.l | ||||||||||||||||||
81 D 630 | 82 F 631 | 83 G 632 | 84 L 633 | 85 _ _ | |||||||||||||||
Binding affinities
ChEMBL ID:CHEMBL3828009Bioaffinities: 8 records for 5 kinase(s)
Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
---|---|---|---|---|---|---|
Homo sapiens | Fibroblast growth factor receptor 1 | 9.5 | 8.6 | 9.5 | pIC50 | 3 |
Homo sapiens | Fibroblast growth factor receptor 2 | 8.6 | 8.6 | 8.6 | pIC50 | 1 |
Homo sapiens | Fibroblast growth factor receptor 3 | 8.2 | 8.2 | 8.2 | pIC50 | 1 |
Homo sapiens | Fibroblast growth factor receptor 4 | 8.2 | 8.2 | 8.5 | pIC50 | 2 |
Homo sapiens | Vascular endothelial growth factor receptor 2 | 8.2 | 8.2 | 8.2 | pIC50 | 1 |