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

The orthosteric binding pocket
Binding pocket waters
No waters were found in the defined clusters
Binding pocket sequence
UniprotKPLGEGCFGQVVRVAVKMLDLVSEMEVMKLIGKNIINLLGVYVIVECAAKGNLREFLRAYLESRKCIHRDLAARNVLVIADFGLA
Structure:KPLGEGAFGQVVRVAVKMLDLVSEMEVMKLIGKNIINLLGVYVIVECAAKGNLREFLRAYLESRKCIHRDLAARNVLVIADFGL_


Modified residues
No modified residues identified.
Orthosteric ligand
2D structure of the 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
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  • COLORS
  • Interaction types
  • KLIFS (all res.)
  • KLIFS (interacting res.)
  • None
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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 _
_

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Binding affinities
ChEMBL ID:CHEMBL3828009
Bioaffinities: 8 records for 5 kinase(s)

Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensFibroblast growth factor receptor 19.58.69.5pIC503
Homo sapiensFibroblast growth factor receptor 28.68.68.6pIC501
Homo sapiensFibroblast growth factor receptor 38.28.28.2pIC501
Homo sapiensFibroblast growth factor receptor 48.28.28.5pIC502
Homo sapiensVascular endothelial growth factor receptor 28.28.28.2pIC501