Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T90989 Target Info
Target Name Fibroblast growth factor receptor 4 (FGFR4)
Synonyms TKF; JTK2; FGFR-4; CD334
Target Type Clinical trial Target
Gene Name FGFR4
Biochemical Class Kinase
UniProt ID
FGFR4_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: Ponatinib Ligand Info
Structure Description FGFR4 in complex with Ponatinib PDB:4UXQ
Method X-ray diffraction Resolution 1.85 Å Mutation Yes [1]
PDB Sequence
LDLPLDPLWE
461
FPRDRLVLGK
471
PLGEGAFGQV
481
VRAEAFGMDP
491
ARPDQASTVA
501

VKMLKDNASD
511
KDLADLVSEM
521
EVMKLIGRHK
531
NIINLLGVCT
541
QEGPLYVIVE
551

CAAKGNLREF
561
LRARRPPGPL
584
SFPVLVSCAY
594
QVARGMQYLE
604
SRKCIHRDLA
614

ARNVLVTEDN
624
VMKIADFGLA
634
RGVHHIDYYK
644
KTSNGRLPVK
654
WMAPEALFDR
664

VYTHQSDVWS
674
FGILLWEIFT
684
LGGSPYPGIP
694
VEELFSLLRE
704
GHRMDRPPHC
714

PPELYGLMRE
724
CWHAAPSQRP
734
TFKQLVEALD
744
KVLLAV
Residue
Distance (Å)
LEU473
3.668
VAL481
3.709
ALA501
3.362
VAL502
3.879
LYS503
3.520
GLU520
3.387
VAL523
4.033
MET524
3.300
ILE527
3.410
ILE533
4.763
ILE534
3.580
VAL548
3.848
VAL550
3.483
GLU551
3.549
Residue
Distance (Å)
CYS552
3.985
ALA553
3.202
GLY556
4.139
ASN557
4.996
LEU603
3.779
CYS608
3.676
ILE609
3.007
HIS610
3.227
ARG611
3.382
LEU619
3.443
ILE628
2.930
ALA629
3.199
ASP630
2.790
PHE631
3.472
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: TKI258 Ligand Info
Structure Description Structural analysis of the human Fibroblast Growth Factor Receptor 4 PDB:4TYI
Method X-ray diffraction Resolution 3.40 Å Mutation No [2]
PDB Sequence
SAGLVSLDLP
455
LDPLWEFPRD
465
RLVLGKPLGE
475
GCFGQVVRAE
485
AFGMDPARPD
495

QASTVAVKML
505
KDNASDKDLA
515
DLVSEMEVMK
525
LIGRHKNIIN
535
LLGVCTQEGP
545

LYVIVECAAK
555
GNLREFLRAR
565
RPPPLSFPVL
589
VSCAYQVARG
599
MQYLESRKCI
609

HRDLAARNVL
619
VTEDNVMKIA
629
DFGLARGLPV
653
KWMAPEALFD
663
RVYTHQSDVW
673

SFGILLWEIF
683
TLGGSPYPGI
693
PVEELFSLLR
703
EGHRMDRPPH
713
CPPELYGLMR
723

ECWHAAPSQR
733
PTFKQLVEAL
743
DKVLLAV
Residue
Distance (Å)
LEU473
4.083
VAL481
3.882
ALA501
3.779
ILE534
3.790
VAL550
3.667
GLU551
4.002
CYS552
3.643
Residue
Distance (Å)
ALA553
2.732
ALA554
3.628
LYS555
4.354
GLY556
3.372
LEU619
3.476
ALA629
4.411
ASP630
4.180
Ligand Name: LY2874455 Ligand Info
Structure Description The crystal structure of FGFR4 kinase domain in complex with LY2874455 PDB:5JKG
Method X-ray diffraction Resolution 2.35 Å Mutation No [3]
PDB Sequence
DLPLDPLWEF
462
PRDRLVLGKP
472
LGEGAFGQVV
482
RAEAFGMDPA
492
RPDQASTVAV
502

KMLKDDKDLA
515
DLVSEMEVMK
525
LIGRHKNIIN
535
LLGVCTQEGP
545
LYVIVECAAK
555

GNLREFLRAR
565
RPPGPPLSFP
587
VLVSCAYQVA
597
RGMQYLESRK
607
CIHRDLAARN
617

VLVTEDNVMK
627
IADFGLLPVK
654
WMAPEALFDR
664
VYTHQSDVWS
674
FGILLWEIFT
684

LGGSPYPGIP
694
VEELFSLLRE
704
GHRMDRPPHC
714
PPELYGLMRE
724
CWHAAPSQRP
734

TFKQLVEALD
744
KVLLAV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6LF or .6LF2 or .6LF3 or :36LF;style chemicals stick;color identity;select .A:473 or .A:474 or .A:475 or .A:476 or .A:481 or .A:483 or .A:501 or .A:503 or .A:534 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:555 or .A:556 or .A:557 or .A:616 or .A:619 or .A:629 or .A:630; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
2.957
GLY474
3.999
GLU475
3.247
GLY476
4.274
VAL481
3.925
ARG483
4.211
ALA501
3.605
LYS503
4.017
ILE534
3.936
VAL550
3.994
GLU551
2.746
Residue
Distance (Å)
CYS552
3.276
ALA553
2.908
ALA554
3.142
LYS555
4.183
GLY556
3.493
ASN557
3.155
ARG616
3.154
LEU619
3.498
ALA629
3.813
ASP630
4.542
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: FGF401 Ligand Info
Structure Description HUMAN FGFR4 KINASE DOMAIN (447-753) IN COMPLEX WITH ROBLITINIB PDB:6YI8
Method X-ray diffraction Resolution 2.13 Å Mutation No [4]
PDB Sequence
DLPLDPLWEF
462
PRDRLVLGKP
472
LGEGCFGQVV
482
RAEAFGMDPA
492
RPDQASTVAV
502

KMLKDNASDK
512
DLADLVSEME
522
VMKLIGRHKN
532
IINLLGVCTQ
542
EGPLYVIVEC
552

AAKGNLREFL
562
RARRPPGPDL
572
SPLSFPVLVS
591
CAYQVARGMQ
601
YLESRKCIHR
611

DLAARNVLVT
621
EDNVMKIADF
631
GLARLPVKWM
656
APEALFDRVY
666
THQSDVWSFG
676

ILLWEIFTLG
686
GSPYPGIPVE
696
ELFSLLREGH
706
RMDRPPHCPP
716
ELYGLMRECW
726

HAAPSQRPTF
736
KQLVEALDKV
746
LLAVSEE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FGF or .FGF2 or .FGF3 or :3FGF;style chemicals stick;color identity;select .A:473 or .A:474 or .A:475 or .A:481 or .A:483 or .A:484 or .A:499 or .A:500 or .A:501 or .A:503 or .A:534 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:555 or .A:556 or .A:557 or .A:619 or .A:629 or .A:630; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.342
GLY474
3.634
GLU475
4.987
VAL481
3.800
ARG483
3.361
ALA484
4.489
THR499
3.386
VAL500
2.758
ALA501
3.534
LYS503
3.364
ILE534
3.676
Residue
Distance (Å)
VAL550
3.923
GLU551
3.364
CYS552
1.934
ALA553
3.100
ALA554
3.517
LYS555
4.730
GLY556
3.593
ASN557
4.897
LEU619
3.486
ALA629
4.506
ASP630
4.779
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: PRN1371 Ligand Info
Structure Description Crystal structure of FGFR4 kinase domain with PRN1371 PDB:7F3M
Method X-ray diffraction Resolution 2.29 Å Mutation Yes [5]
PDB Sequence
DLPLDPLWEF
462
PRDRLVLGKP
472
LGEGCGQVVR
483
AEAFGMDPAR
493
PDQASTVAVK
503

MLKDNASDKD
513
LADLVSEMEV
523
MKLIGRHKNI
533
INLLGVCTQE
543
GPLYVIVECA
553

AKGNLREFLR
563
ARRPPDLSPD
575
GPRSSEGPLS
585
FPVLVSCAYQ
595
VARGMQYLES
605

RKCIHRDLAA
615
RNVLVTEDNV
625
MKIADFGLAR
635
GVHHIDYYKK
645
TSNGRLPVKW
655

MAPEALFDEV
665
YTHQSDVWSF
675
GILLWEIFTL
685
GGSPYPGIPV
695
EELFSLLREG
705

HRMDRPPHCP
715
PELYGLMREC
725
WHAAPSQRPT
735
FKQLVEALDK
745
VLLAVSEE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GX3 or .GX32 or .GX33 or :3GX3;style chemicals stick;color identity;select .A:473 or .A:474 or .A:475 or .A:476 or .A:477 or .A:481 or .A:501 or .A:502 or .A:503 or .A:517 or .A:520 or .A:524 or .A:534 or .A:548 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:556 or .A:616 or .A:619 or .A:629 or .A:630 or .A:631 or .A:632 or .A:633; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.610
GLY474
4.352
GLU475
3.128
GLY476
3.224
CYS477
3.267
VAL481
3.499
ALA501
3.840
VAL502
4.220
LYS503
3.319
LEU517
4.757
GLU520
3.217
MET524
3.613
ILE534
3.777
VAL548
3.588
Residue
Distance (Å)
VAL550
3.556
GLU551
3.074
CYS552
3.565
ALA553
2.722
ALA554
4.946
GLY556
4.032
ARG616
3.302
LEU619
3.457
ALA629
3.360
ASP630
3.073
PHE631
4.129
GLY632
4.575
LEU633
4.692
Ligand Name: N-(4-{[3-(3,5-Dimethoxyphenyl)-7-{[4-(4-Methylpiperazin-1-Yl)phenyl]amino}-2-Oxo-3,4-Dihydropyrimido[4,5-D]pyrimidin-1(2h)-Yl]methyl}phenyl)propanamide Ligand Info
Structure Description Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex With FIIN-2, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR Kinase Gate-Keeper Mutations PDB:4QQ5
Method X-ray diffraction Resolution 2.20 Å Mutation Yes [6]
PDB Sequence
QDPLLAGLVS
456
LDLPLDPLWE
466
FPRDRLVLGK
476
PLGEGCFGQV
486
VRAEAFGMDQ
501

ASTVAVKMLK
511
DNASDKDLAD
521
LVSEMEVMKL
531
IGRHKNIINL
541
LGVCTQEGPL
551

YVILECAAKG
561
NLREFLRARR
571
PPGPLSFPVL
594
VSCAYQVARG
604
MQYLESRKCI
614

HRDLAARNVL
624
VTEDNVMKIA
634
DFGLALPVKW
660
MAPEALFDEV
670
YTHQSDVWSF
680

GILLWEIFTL
690
GGSPYPGIPV
700
EELFSLLREG
710
HRMDRPPHCP
720
PELYGLMREC
730

WHAAPSQRPT
740
FKQLVEALDK
750
VLLAV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .37O or .37O2 or .37O3 or :337O;style chemicals stick;color identity;select .A:478 or .A:479 or .A:480 or .A:481 or .A:482 or .A:483 or .A:486 or .A:506 or .A:508 or .A:525 or .A:529 or .A:539 or .A:555 or .A:556 or .A:557 or .A:558 or .A:559 or .A:560 or .A:561 or .A:565 or .A:624 or .A:633 or .A:634 or .A:635 or .A:636 or .A:638; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU478
3.428
GLY479
3.941
GLU480
2.974
GLY481
3.288
CYS482
1.747
PHE483
3.455
VAL486
3.703
ALA506
4.059
LYS508
3.439
GLU525
3.531
MET529
3.895
ILE539
3.709
LEU555
3.376
Residue
Distance (Å)
GLU556
3.163
CYS557
3.715
ALA558
2.635
ALA559
3.560
LYS560
4.474
GLY561
3.531
GLU565
3.868
LEU624
3.502
ILE633
4.679
ALA634
3.482
ASP635
3.028
PHE636
3.073
LEU638
3.756
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: N-[4-({[(2,6-Dichloro-3,5-Dimethoxyphenyl)carbamoyl](6-{[4-(4-Methylpiperazin-1-Yl)phenyl]amino}pyrimidin-4-Yl)amino}methyl)phenyl]propanamide Ligand Info
Structure Description Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with FIIN-3, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR kinase Gate-Keeper Mutations PDB:4R6V
Method X-ray diffraction Resolution 2.35 Å Mutation Yes [7]
PDB Sequence
DPLLAGLVSL
452
DLPLDPLWEF
462
PRDRLVLGKP
472
LGEGCFGQVV
482
RAEAFGMDQA
497

STVAVKMLKD
507
NASDKDLADL
517
VSEMEVMKLI
527
GRHKNIINLL
537
GVCTQEGPLY
547

VILECAAKGN
557
LREFLRARRP
567
PGPLSFPVLV
590
SCAYQVARGM
600
QYLESRKCIH
610

RDLAARNVLV
620
TEDNVMKIAD
630
FGLAPVKWMA
657
PEALFDEVYT
667
HQSDVWSFGI
677

LLWEIFTLGG
687
SPYPGIPVEE
697
LFSLLREGHR
707
MDRPPHCPPE
717
LYGLMRECWH
727

AAPSQRPTFK
737
QLVEALDKVL
747
LAV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FI3 or .FI32 or .FI33 or :3FI3;style chemicals stick;color identity;select .A:473 or .A:474 or .A:475 or .A:476 or .A:477 or .A:478 or .A:481 or .A:501 or .A:503 or .A:517 or .A:520 or .A:524 or .A:534 or .A:548 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:556 or .A:557 or .A:560 or .A:619 or .A:629 or .A:630 or .A:631 or .A:633; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.341
GLY474
3.805
GLU475
3.188
GLY476
3.301
CYS477
1.698
PHE478
3.507
VAL481
3.901
ALA501
4.242
LYS503
3.548
LEU517
4.714
GLU520
3.023
MET524
3.945
ILE534
3.622
VAL548
4.959
Residue
Distance (Å)
LEU550
3.449
GLU551
3.245
CYS552
3.664
ALA553
2.484
ALA554
4.362
GLY556
3.622
ASN557
4.294
GLU560
3.040
LEU619
3.627
ALA629
3.269
ASP630
3.156
PHE631
3.488
LEU633
3.563
Ligand Name: N-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide Ligand Info
Structure Description Crystal structure of FGFR4 kinase domain in complex with compound 5 PDB:6IUP
Method X-ray diffraction Resolution 2.00 Å Mutation Yes [8]
PDB Sequence
LDLPLDPLWE
461
FPRDRLVLGK
471
PLGEGCFGQV
481
VRAEAFGMDP
491
ARPDQASTVA
501

VKMLKASDKD
513
LADLVSEMEV
523
MKLIGRHKNI
533
INLLGVCTQE
543
GPLYVIVECA
553

AKGNLREFLR
563
ARRPPRSSEG
582
PLSFPVLVSC
592
AYQVARGMQY
602
LESRKCIHRD
612

LAARNVLVTE
622
DNVMKIADFG
632
LARGVHHIDY
642
YKKTSNGRLP
652
VKWMAPEALF
662

DEVYTHQSDV
672
WSFGILLWEI
682
FTLGGSPYPG
692
IPVEELFSLL
702
REGHRMDRPP
712

HCPPELYGLM
722
RECWHAAPSQ
732
RPTFKQLVEA
742
LDKVLLAV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AX0 or .AX02 or .AX03 or :3AX0;style chemicals stick;color identity;select .A:473 or .A:474 or .A:475 or .A:476 or .A:477 or .A:481 or .A:501 or .A:502 or .A:503 or .A:520 or .A:524 or .A:534 or .A:548 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:556 or .A:557 or .A:616 or .A:619 or .A:629 or .A:630; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.751
GLY474
3.761
GLU475
4.907
GLY476
4.233
CYS477
3.264
VAL481
3.352
ALA501
3.307
VAL502
4.018
LYS503
3.350
GLU520
3.325
MET524
4.363
ILE534
4.307
Residue
Distance (Å)
VAL548
3.749
VAL550
3.443
GLU551
2.839
CYS552
3.583
ALA553
2.682
ALA554
4.727
GLY556
3.365
ASN557
4.577
ARG616
4.242
LEU619
3.391
ALA629
4.118
ASP630
3.508
Ligand Name: N-[[4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl]methyl]prop-2-enamide Ligand Info
Structure Description Crystal structure of FGFR4 kinase domain in complex with a covalent inhibitor PDB:6IUO
Method X-ray diffraction Resolution 2.30 Å Mutation Yes [8]
PDB Sequence
GLLAGLVSLD
453
LPLDPLWEFP
463
RDRLVLGKPL
473
GEGCFGQVVR
483
AEAFGMARPD
495

QASTVAVKML
505
KDNASDKDLA
515
DLVSEMEVMK
525
LIGRHKNIIN
535
LLGVCTQEGP
545

LYVIVECAAK
555
GNLREFLRAR
565
RPPGPLSFPV
588
LVSCAYQVAR
598
GMQYLESRKC
608

IHRDLAARNV
618
LVTEDNVMKI
628
ADFGLLPVKW
655
MAPEALFDEV
665
YTHQSDVWSF
675

GILLWEIFTL
685
GGSPYPGIPV
695
EELFSLLREG
705
HRMDRPPHCP
715
PELYGLMREC
725

WHAAPSQRPT
735
FKQLVEALDK
745
VLLAV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AWX or .AWX2 or .AWX3 or :3AWX;style chemicals stick;color identity;select .A:473 or .A:476 or .A:477 or .A:480 or .A:481 or .A:501 or .A:502 or .A:503 or .A:520 or .A:524 or .A:534 or .A:548 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:556 or .A:557 or .A:619 or .A:629 or .A:630; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.566
GLY476
4.290
CYS477
1.776
GLN480
3.527
VAL481
3.261
ALA501
3.503
VAL502
4.105
LYS503
3.458
GLU520
3.146
MET524
4.151
ILE534
3.951
Residue
Distance (Å)
VAL548
3.961
VAL550
3.446
GLU551
2.847
CYS552
3.527
ALA553
2.780
ALA554
4.824
GLY556
3.505
ASN557
4.798
LEU619
3.554
ALA629
3.752
ASP630
4.029
Ligand Name: N-[2-[[6-[2-(2,6-dichloro-3,5-dimethoxyanilino)pyridin-3-yl]pyrimidin-4-yl]amino]-3-methylphenyl]prop-2-enamide Ligand Info
Structure Description Crystal structure of FGFR4 kinase domain with irreversible inhibitor 1 PDB:6JPE
Method X-ray diffraction Resolution 1.60 Å Mutation Yes [9]
PDB Sequence
LDLPLDPLWE
461
FPRDRLVLGK
471
PLGEGGQVVR
483
AEAFGMDPAR
493
PDQASTVAVK
503

MLKDNASDKD
513
LADLVSEMEV
523
MKLIGRHKNI
533
INLLGVCTQE
543
GPLYVIVECA
553

AKGNLREFLR
563
ARRPPGPDLS
573
PDGPRSSEGP
583
LSFPVLVSCA
593
YQVARGMQYL
603

ESRKCIHRDL
613
AARNVLVTED
623
NVMKIADFGL
633
ARGVHHIDYY
643
KKTSNGRLPV
653

KWMAPEALFD
663
EVYTHQSDVW
673
SFGILLWEIF
683
TLGGSPYPGI
693
PVEELFSLLR
703

EGHRMDRPPH
713
CPPELYGLMR
723
ECWHAAPSQR
733
PTFKQLVEAL
743
DKVLLAVS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BYU or .BYU2 or .BYU3 or :3BYU;style chemicals stick;color identity;select .A:473 or .A:474 or .A:481 or .A:483 or .A:499 or .A:501 or .A:502 or .A:503 or .A:520 or .A:524 or .A:534 or .A:548 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:556 or .A:557 or .A:619 or .A:628 or .A:629 or .A:630 or .A:631; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.569
GLY474
4.332
VAL481
3.383
ARG483
2.740
THR499
3.950
ALA501
3.803
VAL502
4.389
LYS503
3.642
GLU520
3.203
MET524
3.622
ILE534
3.842
VAL548
3.731
Residue
Distance (Å)
VAL550
3.462
GLU551
3.183
CYS552
1.744
ALA553
2.842
ALA554
4.077
GLY556
3.623
ASN557
4.076
LEU619
3.483
ILE628
4.940
ALA629
3.406
ASP630
2.893
PHE631
3.677
Ligand Name: N-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide Ligand Info
Structure Description Crystal structure of FGFR4 with a dual-warhead covalent inhhibitor PDB:7V29
Method X-ray diffraction Resolution 1.98 Å Mutation Yes [10]
PDB Sequence
LPLDPLWEFP
463
RDRLVLGKPL
473
GEGCFGQVVR
483
AEAFGMDPAR
493
PDQASTVAVK
503

MLKDNASDKD
513
LADLVSEMEV
523
MKLIGRHKNI
533
INLLGVCTQE
543
GPLYVIVECA
553

AKGNLREFLR
563
ARRPPGPRSS
580
EGPLSFPVLV
590
SCAYQVARGM
600
QYLESRKCIH
610

RDLAARNVLV
620
TEDNVMKIAD
630
FGLARGVHHI
640
DYYKKTSNGR
650
LPVKWMAPEA
660

LFDEVYTHQS
670
DVWSFGILLW
680
EIFTLGGSPY
690
PGIPVEELFS
700
LLREGHRMDR
710

PPHCPPELYG
720
LMRECWHAAP
730
SQRPTFKQLV
740
EALDKVLLAV
750
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5JR or .5JR2 or .5JR3 or :35JR;style chemicals stick;color identity;select .B:473 or .B:474 or .B:475 or .B:476 or .B:477 or .B:481 or .B:483 or .B:499 or .B:501 or .B:503 or .B:520 or .B:524 or .B:534 or .B:548 or .B:550 or .B:551 or .B:552 or .B:553 or .B:554 or .B:556 or .B:557 or .B:616 or .B:619 or .B:628 or .B:629 or .B:630 or .B:631 or .B:632; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.143
GLY474
3.616
GLU475
3.215
GLY476
4.226
CYS477
3.429
VAL481
3.254
ARG483
2.838
THR499
4.140
ALA501
3.893
LYS503
3.266
GLU520
3.567
MET524
3.632
ILE534
3.914
VAL548
3.803
Residue
Distance (Å)
VAL550
3.587
GLU551
3.129
CYS552
1.818
ALA553
2.823
ALA554
4.050
GLY556
3.861
ASN557
4.956
ARG616
3.422
LEU619
3.421
ILE628
4.841
ALA629
3.611
ASP630
2.843
PHE631
3.912
GLY632
4.712
Ligand Name: 6-bromo-N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-formyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide Ligand Info
Structure Description Crystal structure of FGFR4 kinase domain with 10t PDB:7YC3
Method X-ray diffraction Resolution 1.99 Å Mutation Yes [11]
PDB Sequence
DLPLDPLWEF
462
PRDRLVLGKP
472
LGEGCFGQVV
482
RAEAFGMDPA
492
RPDQASTVAV
502

KMLKDNASDK
512
DLADLVSEME
522
VMKLIGRHKN
532
IINLLGVCTQ
542
EGPLYVIVEC
552

AAKGNLREFL
562
RARRPPGPDL
572
SPDGPRSSEG
582
PLSFPVLVSC
592
AYQVARGMQY
602

LESRKCIHRD
612
LAARNVLVTE
622
DNVMKIADFG
632
LARGVHHIDY
642
YKKTSNGRLP
652

VKWMAPEALF
662
DEVYTHQSDV
672
WSFGILLWEI
682
FTLGGSPYPG
692
IPVEELFSLL
702

REGHRMDRPP
712
HCPPELYGLM
722
RECWHAAPSQ
732
RPTFKQLVEA
742
LDKVLLAVSE
752
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IIW or .IIW2 or .IIW3 or :3IIW;style chemicals stick;color identity;select .A:473 or .A:481 or .A:483 or .A:499 or .A:501 or .A:503 or .A:534 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:555 or .A:556 or .A:557 or .A:616 or .A:617 or .A:619 or .A:629 or .A:630; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.616
VAL481
3.909
ARG483
3.322
THR499
4.006
ALA501
3.644
LYS503
3.429
ILE534
3.632
VAL550
3.470
GLU551
3.306
CYS552
1.703
Residue
Distance (Å)
ALA553
3.090
ALA554
3.118
LYS555
4.303
GLY556
3.718
ASN557
4.791
ARG616
3.596
ASN617
3.768
LEU619
3.214
ALA629
4.012
ASP630
3.976
Ligand Name: N-[2-[[5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-1H-indazol-3-yl]amino]-3-fluoro-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide Ligand Info
Structure Description Crystal structure of FGFR4 kinase domain with 7v PDB:7WCT
Method X-ray diffraction Resolution 2.11 Å Mutation Yes [12]
PDB Sequence
DLPLDPLWEF
462
PRDRLVLGKP
472
LGEGCFGQVV
482
RAEAFGMDPA
492
RPDQASTVAV
502

KMLKDNASDK
512
DLADLVSEME
522
VMKLIGRHKN
532
IINLLGVCTQ
542
EGPLYVIVEC
552

AAKGNLREFL
562
RARRPPGPDL
572
SPDGPRSSEG
582
PLSFPVLVSC
592
AYQVARGMQY
602

LESRKCIHRD
612
LAARNVLVTE
622
DNVMKIADFG
632
LARGVHHIDY
642
YKKTSNGRLP
652

VKWMAPEALF
662
DEVYTHQSDV
672
WSFGILLWEI
682
FTLGGSPYPG
692
IPVEELFSLL
702

REGHRMDRPP
712
HCPPELYGLM
722
RECWHAAPSQ
732
RPTFKQLVEA
742
LDKVLLAVSE
752
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .90F or .90F2 or .90F3 or :390F;style chemicals stick;color identity;select .A:473 or .A:474 or .A:475 or .A:481 or .A:483 or .A:499 or .A:500 or .A:501 or .A:503 or .A:534 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:556 or .A:557 or .A:616 or .A:617 or .A:619 or .A:629 or .A:630; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.042
GLY474
3.991
GLU475
4.009
VAL481
3.510
ARG483
2.862
THR499
4.083
VAL500
4.154
ALA501
3.501
LYS503
4.696
ILE534
4.527
VAL550
4.158
Residue
Distance (Å)
GLU551
3.161
CYS552
1.627
ALA553
2.912
ALA554
4.380
GLY556
3.457
ASN557
3.040
ARG616
3.133
ASN617
4.527
LEU619
3.297
ALA629
4.345
ASP630
3.387
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-formyl-1-propylpyrrolo[3,2-b]pyridine-3-carboxamide Ligand Info
Structure Description Crystal structure of FGFR4 kinase domain with 10d PDB:7YC1
Method X-ray diffraction Resolution 2.54 Å Mutation Yes [11]
PDB Sequence
DLPLDPLWEF
462
PRDRLVLGKP
472
LGEGCFGQVV
482
RAEAFGMDPA
492
RPDQASTVAV
502

KMLKDNASDK
512
DLADLVSEME
522
VMKLIGRHKN
532
IINLLGVCTQ
542
EGPLYVIVEC
552

AAKGNLREFL
562
RARRPPGPDL
572
SPDGPRSSEG
582
PLSFPVLVSC
592
AYQVARGMQY
602

LESRKCIHRD
612
LAARNVLVTE
622
DNVMKIADFG
632
LARGVHHIDY
642
YKKTSNGRLP
652

VKWMAPEALF
662
DEVYTHQSDV
672
WSFGILLWEI
682
FTLGGSPYPG
692
IPVEELFSLL
702

REGHRMDRPP
712
HCPPELYGLM
722
RECWHAAPSQ
732
RPTFKQLVEA
742
LDKVLLAVSE
752
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IIQ or .IIQ2 or .IIQ3 or :3IIQ;style chemicals stick;color identity;select .A:473 or .A:481 or .A:483 or .A:499 or .A:500 or .A:501 or .A:503 or .A:534 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:555 or .A:556 or .A:557 or .A:616 or .A:617 or .A:619 or .A:629 or .A:630; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.271
VAL481
3.916
ARG483
3.493
THR499
3.366
VAL500
4.998
ALA501
3.549
LYS503
3.400
ILE534
3.696
VAL550
3.739
GLU551
3.150
CYS552
1.644
Residue
Distance (Å)
ALA553
3.024
ALA554
3.537
LYS555
4.224
GLY556
3.802
ASN557
4.833
ARG616
3.440
ASN617
3.513
LEU619
3.325
ALA629
3.806
ASP630
3.679
Ligand Name: N-[2-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-3-methylphenyl]-2-fluoroprop-2-enamide Ligand Info
Structure Description FGFR4 complex with a covalent inhibitor PDB:7DTZ
Method X-ray diffraction Resolution 2.01 Å Mutation Yes [13]
PDB Sequence
DLPLDPLWEF
462
PRDRLVLGKP
472
LGEGAFGQVV
482
RAEAFGMDPA
492
RPDQASTVAV
502

KMLKDNASDK
512
DLADLVSEME
522
VMKLIGRHKN
532
IINLLGVCTQ
542
EGPLYVIVEC
552

AAKGNLREFL
562
RARRPPGPDL
572
SPDGPRSSEG
582
PLSFPVLVSC
592
AYQVARGMQY
602

LESRKCIHRD
612
LAARNVLVTE
622
DNVMKIADFG
632
LARGVHHIDY
642
YKKTSNGRLP
652

VKWMAPEALF
662
DEVYTHQSDV
672
WSFGILLWEI
682
FTLGGSPYPG
692
IPVEELFSLL
702

REGHRMDRPP
712
HCPPELYGLM
722
RECWHAAPSQ
732
RPTFKQLVEA
742
LDKVLLAVS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HHL or .HHL2 or .HHL3 or :3HHL;style chemicals stick;color identity;select .A:473 or .A:481 or .A:483 or .A:499 or .A:500 or .A:501 or .A:502 or .A:503 or .A:520 or .A:524 or .A:534 or .A:548 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:556 or .A:557 or .A:619 or .A:628 or .A:629 or .A:630 or .A:631; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.654
VAL481
3.545
ARG483
3.027
THR499
3.709
VAL500
4.469
ALA501
3.270
VAL502
4.107
LYS503
3.528
GLU520
3.252
MET524
3.604
ILE534
3.749
VAL548
3.864
Residue
Distance (Å)
VAL550
3.446
GLU551
3.316
CYS552
1.546
ALA553
2.830
ALA554
3.230
GLY556
3.668
ASN557
4.031
LEU619
3.351
ILE628
4.842
ALA629
3.333
ASP630
2.834
PHE631
3.783
Ligand Name: 6-bromo-N-[5-cyano-4-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]pyridin-2-yl]-5-formyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide Ligand Info
Structure Description Crystal structure of FGFR4(V550M) kinase domain with 10z PDB:7YBX
Method X-ray diffraction Resolution 2.23 Å Mutation Yes [11]
PDB Sequence
DLPLDPLWEF
462
PRDRLVLGKP
472
LGEGAFGQVV
482
RAEAFGMDPA
492
RPDQASTVAV
502

KMLKDNASDK
512
DLADLVSEME
522
VMKLIGRHKN
532
IINLLGVCTQ
542
EGPLYVIMEC
552

AAKGNLREFL
562
RARRPPGPDL
572
SPDGPRSSEG
582
PLSFPVLVSC
592
AYQVARGMQY
602

LESRKCIHRD
612
LAARNVLVTE
622
DNVMKIADFG
632
LARGVHHIDY
642
YKKTSNGRLP
652

VKWMAPEALF
662
DEVYTHQSDV
672
WSFGILLWEI
682
FTLGGSPYPG
692
IPVEELFSLL
702

REGHRMDRPP
712
HCPPELYGLM
722
RECWHAAPSQ
732
RPTFKQLVEA
742
LDKVLLAVSE
752
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IH7 or .IH72 or .IH73 or :3IH7;style chemicals stick;color identity;select .A:473 or .A:474 or .A:481 or .A:483 or .A:499 or .A:501 or .A:534 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:555 or .A:556 or .A:557 or .A:616 or .A:617 or .A:619 or .A:629 or .A:630; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.062
GLY474
3.763
VAL481
3.620
ARG483
3.460
THR499
3.842
ALA501
3.649
ILE534
3.877
MET550
3.415
GLU551
3.356
CYS552
1.754
Residue
Distance (Å)
ALA553
2.961
ALA554
3.295
LYS555
4.398
GLY556
3.618
ASN557
3.151
ARG616
3.238
ASN617
4.583
LEU619
3.301
ALA629
3.840
ASP630
3.545
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2-(propanoylamino)benzamide Ligand Info
Structure Description FIBROBLAST GROWTH FACTOR RECEPTOR 4 KINASE DOMAIN (449-753) IN COMPLEX WITH IRREVERSIBLE LIGAND CGA159527 PDB:5NWZ
Method X-ray diffraction Resolution 2.37 Å Mutation No [14]
PDB Sequence
LPLDPLWEFP
463
RDRLVLGKPL
473
GEGCFGQVVR
483
AEAFGMDPAR
493
PDQASTVAVK
503

MLKDNASDKD
513
LADLVSEMEV
523
MKLIGRHKNI
533
INLLGVCTQE
543
GPLYVIVECA
553

AKGNLREFLR
563
ARRPPGPDLP
583
LSFPVLVSCA
593
YQVARGMQYL
603
ESRKCIHRDL
613

AARNVLVTED
623
NVMKIADFGL
651
PVKWMAPEAL
661
FDRVYTHQSD
671
VWSFGILLWE
681

IFTLGGSPYP
691
GIPVEELFSL
701
LREGHRMDRP
711
PHCPPELYGL
721
MRECWHAAPS
731

QRPTFKQLVE
741
ALDKVLLAVS
751
E
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9CT or .9CT2 or .9CT3 or :39CT;style chemicals stick;color identity;select .A:473 or .A:474 or .A:475 or .A:476 or .A:477 or .A:478 or .A:481 or .A:483 or .A:501 or .A:503 or .A:517 or .A:520 or .A:524 or .A:534 or .A:548 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:555 or .A:556 or .A:557 or .A:616 or .A:619 or .A:628 or .A:629 or .A:630 or .A:631; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.599
GLY474
3.654
GLU475
4.535
GLY476
4.996
CYS477
1.762
PHE478
3.739
VAL481
4.300
ARG483
4.840
ALA501
3.615
LYS503
3.417
LEU517
4.256
GLU520
3.692
MET524
3.299
ILE534
3.711
VAL548
3.860
Residue
Distance (Å)
VAL550
3.613
GLU551
2.860
CYS552
3.683
ALA553
2.936
ALA554
3.342
LYS555
4.440
GLY556
3.620
ASN557
2.681
ARG616
4.582
LEU619
3.555
ILE628
4.964
ALA629
3.951
ASP630
3.124
PHE631
3.695
Ligand Name: 3-chloro-N-(3-nitropyridin-2-yl)-5-(trifluoromethyl)pyridin-2-amine Ligand Info
Structure Description FIBROBLAST GROWTH FACTOR RECEPTOR 4 KINASE DOMAIN (449-753) IN COMPLEX WITH IRREVERSIBLE LIGAND CGA159527 PDB:5NUD
Method X-ray diffraction Resolution 2.50 Å Mutation No [14]
PDB Sequence
DLPLDPLWEF
462
PRDRLVLGKP
472
LGEGGQVVRA
484
EAFGMDPARP
494
DQASTVAVKM
504

LKDNASDKDL
514
ADLVSEMEVM
524
KLIGRHKNII
534
NLLGVCTQEG
544
PLYVIVECAA
554

KGNLREFLRA
564
RRPPLSFPVL
589
VSCAYQVARG
599
MQYLESRKCI
609
HRDLAARNVL
619

VTEDNVMKIA
629
DFGRLPVKWM
656
APEALFDRVY
666
THQSDVWSFG
676
ILLWEIFTLG
686

GSPYPGIPVE
696
ELFSLLREGH
706
RMDRPPHCPP
716
ELYGLMRECW
726
HAAPSQRPTF
736

KQLVEALDKV
746
LLAVSEE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .99K or .99K2 or .99K3 or :399K;style chemicals stick;color identity;select .A:473 or .A:481 or .A:483 or .A:499 or .A:501 or .A:534 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:556 or .A:619 or .A:629; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.679
VAL481
3.485
ARG483
3.424
THR499
4.212
ALA501
3.584
ILE534
3.200
VAL550
3.383
Residue
Distance (Å)
GLU551
3.246
CYS552
1.690
ALA553
3.056
ALA554
3.725
GLY556
4.329
LEU619
3.298
ALA629
4.225
Ligand Name: N-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide Ligand Info
Structure Description The crystal structure of FGFR4 kinase domain in complex with N-(5-cyano-4-((2-methoxyethyl)amino)pyridin-2-yl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide PDB:7VJL
Method X-ray diffraction Resolution 2.90 Å Mutation No [15]
PDB Sequence
LPLDPLWEFP
463
RDRLVLGKPL
473
GEGGQVVRAE
485
AFGMDPARPD
495
QASTVAVKML
505

DNASDLADLV
518
SEMEVMKLIG
528
RHKNIINLLG
538
VCTQEGPLYV
548
IVECAAKGNL
558

REFLRARRPP
568
GPLSFPVLVS
591
CAYQVARGMQ
601
YLESRKCIHR
611
DLAARNVLVT
621

EDNVMKIADF
631
GPVKWMAPEA
660
LFDRVYTHQS
670
DVWSFGILLW
680
EIFTLGGSPY
690

PGIPVEELFS
700
LLREGHRMDR
710
PPHCPPELYG
720
LMRECWHAAP
730
SQRPTFKQLV
740

EALDKVLLAV
750
SEE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7IF or .7IF2 or .7IF3 or :37IF;style chemicals stick;color identity;select .A:473 or .A:481 or .A:482 or .A:483 or .A:484 or .A:499 or .A:500 or .A:501 or .A:503 or .A:534 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:555 or .A:556 or .A:619 or .A:629 or .A:630; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.231
VAL481
4.166
VAL482
4.668
ARG483
3.166
ALA484
3.934
THR499
3.111
VAL500
2.319
ALA501
3.280
LYS503
3.283
ILE534
3.448
Residue
Distance (Å)
VAL550
3.918
GLU551
3.389
CYS552
2.001
ALA553
3.026
ALA554
3.032
LYS555
4.735
GLY556
3.809
LEU619
3.378
ALA629
4.463
ASP630
3.283
Ligand Name: N-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide Ligand Info
Structure Description Crystal Structure of FGFR4 with an Irreversible Inhibitor PDB:4XCU
Method X-ray diffraction Resolution 1.71 Å Mutation Yes [16]
PDB Sequence
DLPLDPLWEF
462
PRDRLVLGKP
472
LGEGQVVRAE
485
AFGMDPARPD
495
QASTVAVKML
505

KDNASDKDLA
515
DLVSEMEVMK
525
LIGRHKNIIN
535
LLGVCTQEGP
545
LYVIVECAAK
555

GNLREFLRAR
565
RPPGSSEGPL
584
SFPVLVSCAY
594
QVARGMQYLE
604
SRKCIHRDLA
614

ARNVLVTEDN
624
VMKIADFGLA
634
RGVHHIDYYK
644
KTSNGRLPVK
654
WMAPEALFDR
664

VYTHQSDVWS
674
FGILLWEIFT
684
LGGSPYPGIP
694
VEELFSLLRE
704
GHRMDRPPHC
714

PPELYGLMRE
724
CWHAAPSQRP
734
TFKQLVEALD
744
KVLLAVSH
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .40M or .40M2 or .40M3 or :340M;style chemicals stick;color identity;select .A:473 or .A:481 or .A:483 or .A:499 or .A:501 or .A:502 or .A:503 or .A:517 or .A:520 or .A:524 or .A:534 or .A:548 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:556 or .A:557 or .A:619 or .A:629 or .A:630 or .A:631; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.838
VAL481
3.930
ARG483
3.793
THR499
4.437
ALA501
4.139
VAL502
4.529
LYS503
3.407
LEU517
4.708
GLU520
3.628
MET524
3.661
ILE534
3.698
VAL548
3.540
Residue
Distance (Å)
VAL550
3.529
GLU551
3.334
CYS552
1.820
ALA553
2.734
ALA554
4.028
GLY556
3.717
ASN557
4.089
LEU619
3.274
ALA629
3.068
ASP630
3.028
PHE631
3.739
Ligand Name: Fgfr4-IN-5 Ligand Info
Structure Description Crystal structure of FGFR4 kinase domain in complex with covalent inhibitor PDB:6V9C
Method X-ray diffraction Resolution 1.90 Å Mutation No [17]
PDB Sequence
DLPLDPLWEF
462
PRDRLVLGKP
472
LGEGQVVRAE
485
AFGMDPARPD
495
QASTVAVKML
505

KDNASDKDLA
515
DLVSEMEVMK
525
LIGRHKNIIN
535
LLGVCTQEGP
545
LYVIVECAAK
555

GNLREFLRAR
565
RPPSEGPLSF
586
PVLVSCAYQV
596
ARGMQYLESR
606
KCIHRDLAAR
616

NVLVTEDNVM
626
KIADFGLIDY
642
YKKTSNGRLP
652
VKWMAPEALF
662
DRVYTHQSDV
672

WSFGILLWEI
682
FTLGGSPYPG
692
IPVEELFSLL
702
REGHRMDRPP
712
HCPPELYGLM
722

RECWHAAPSQ
732
RPTFKQLVEA
742
LDKVLLAVS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QS7 or .QS72 or .QS73 or :3QS7;style chemicals stick;color identity;select .A:473 or .A:481 or .A:483 or .A:499 or .A:501 or .A:502 or .A:503 or .A:520 or .A:524 or .A:534 or .A:548 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:555 or .A:556 or .A:557 or .A:619 or .A:629 or .A:630 or .A:631 or .A:632; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.451
VAL481
3.451
ARG483
2.810
THR499
3.808
ALA501
3.977
VAL502
4.469
LYS503
3.344
GLU520
3.321
MET524
3.800
ILE534
3.903
VAL548
3.731
VAL550
3.471
Residue
Distance (Å)
GLU551
3.155
CYS552
1.861
ALA553
2.888
ALA554
3.792
LYS555
4.747
GLY556
3.131
ASN557
4.752
LEU619
3.512
ALA629
3.338
ASP630
3.083
PHE631
3.806
GLY632
4.113
Ligand Name: N-[2-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-3-methylphenyl]propanamide Ligand Info
Structure Description FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-methylphenyl)acrylamide PDB:6NVH
Method X-ray diffraction Resolution 1.90 Å Mutation No [18]
PDB Sequence
DLPLDPLWEF
462
PRDRLVLGKP
472
LGEGQVVRAE
485
AFGMDPARPD
495
QASTVAVKML
505

KDNASDKDLA
515
DLVSEMEVMK
525
LIGRHKNIIN
535
LLGVCTQEGP
545
LYVIVECAAK
555

GNLREFLRAR
565
RPPGSSEGPL
575
SFPVLVSCAY
585
QVARGMQYLE
595
SRKCIHRDLA
605

ARNVLVTEDN
615
VMKIADFGLA
625
RLPVKWMAPE
650
ALFDRVYTHQ
660
SDVWSFGILL
670

WEIFTLGGSP
680
YPGIPVEELF
690
SLLREGHRMD
700
RPPHCPPELY
710
GLMRECWHAA
720

PSQRPTFKQL
730
VEALDKVLLA
740
V
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XL6 or .XL62 or .XL63 or :3XL6;style chemicals stick;color identity;select .A:473 or .A:481 or .A:483 or .A:499 or .A:501 or .A:502 or .A:503 or .A:520 or .A:524 or .A:534 or .A:548 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:556 or .A:557 or .A:610 or .A:619 or .A:620 or .A:621 or .A:622; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.362
VAL481
3.447
ARG483
3.249
THR499
4.131
ALA501
3.467
VAL502
4.287
LYS503
3.639
GLU520
3.431
MET524
3.651
ILE534
3.699
VAL548
3.738
VAL550
3.402
Residue
Distance (Å)
GLU551
3.249
CYS552
1.822
ALA553
2.737
ALA554
4.055
GLY556
3.636
ASN557
4.179
LEU610
3.448
ILE619
4.727
ALA620
3.314
ASP621
2.916
PHE622
3.672
Ligand Name: N-[3,5-dichloro-2-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]phenyl]propanamide Ligand Info
Structure Description FGFR4 complex with N-(3,5-dichloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)phenyl)acrylamide PDB:6NVG
Method X-ray diffraction Resolution 1.99 Å Mutation No [18]
PDB Sequence
DLPLDPLWEF
462
PRDRLVLGKP
472
LGEGCFGQVV
482
RAEAFGMDPA
492
RPDQASTVAV
502

KMLKDNASDK
512
DLADLVSEME
522
VMKLIGRHKN
532
IINLLGVCTQ
542
EGPLYVIVEC
552

AAKGNLREFL
562
RARRPPGSSE
572
GPLSFPVLVS
582
CAYQVARGMQ
592
YLESRKCIHR
602

DLAARNVLVT
612
EDNVMKIADF
622
GLPVKWMAPE
650
ALFDRVYTHQ
660
SDVWSFGILL
670

WEIFTLGGSP
680
YPGIPVEELF
690
SLLREGHRMD
700
RPPHCPPELY
710
GLMRECWHAA
720

PSQRPTFKQL
730
VEALDKVLLA
740
VS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XL8 or .XL82 or .XL83 or :3XL8;style chemicals stick;color identity;select .A:473 or .A:481 or .A:483 or .A:499 or .A:501 or .A:502 or .A:503 or .A:520 or .A:524 or .A:534 or .A:548 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:556 or .A:557 or .A:610 or .A:619 or .A:620 or .A:621 or .A:622; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.573
VAL481
3.623
ARG483
2.917
THR499
4.065
ALA501
3.617
VAL502
4.249
LYS503
3.560
GLU520
3.442
MET524
3.635
ILE534
3.674
VAL548
3.819
VAL550
3.452
Residue
Distance (Å)
GLU551
3.262
CYS552
1.822
ALA553
2.745
ALA554
4.040
GLY556
3.543
ASN557
4.010
LEU610
3.369
ILE619
4.611
ALA620
3.339
ASP621
2.873
PHE622
3.598
Ligand Name: N-[3-chloro-2-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-5-fluorophenyl]propanamide Ligand Info
Structure Description FGFR4 complex with N-(3-chloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-5-fluorophenyl)acrylamide PDB:6NVI
Method X-ray diffraction Resolution 2.12 Å Mutation No [18]
PDB Sequence
DLPLDPLWEF
462
PRDRLVLGKP
472
LGEQVVRAEA
486
FGMDPARPDQ
496
ASTVAVKMLK
506

DNASDKDLAD
516
LVSEMEVMKL
526
IGRHKNIINL
536
LGVCTQEGPL
546
YVIVECAAKG
556

NLREFLRARR
566
PPSEGPLSFP
578
VLVSCAYQVA
588
RGMQYLESRK
598
CIHRDLAARN
608

VLVTEDNVMK
618
IADFGLARGV
628
LPVKWMAPEA
651
LFDRVYTHQS
661
DVWSFGILLW
671

EIFTLGGSPY
681
PGIPVEELFS
691
LLREGHRMDR
701
PPHCPPELYG
711
LMRECWHAAP
721

SQRPTFKQLV
731
EALDKVLLAV
741
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XL7 or .XL72 or .XL73 or :3XL7;style chemicals stick;color identity;select .A:473 or .A:481 or .A:483 or .A:499 or .A:501 or .A:502 or .A:503 or .A:520 or .A:524 or .A:534 or .A:548 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:556 or .A:557 or .A:610 or .A:619 or .A:620 or .A:621 or .A:622; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.677
VAL481
3.350
ARG483
3.020
THR499
3.864
ALA501
3.563
VAL502
4.272
LYS503
3.457
GLU520
3.472
MET524
3.568
ILE534
3.596
VAL548
3.962
VAL550
3.563
Residue
Distance (Å)
GLU551
3.354
CYS552
1.823
ALA553
2.750
ALA554
4.172
GLY556
3.528
ASN557
4.122
LEU610
3.451
ILE619
4.825
ALA620
3.350
ASP621
2.933
PHE622
3.756
Ligand Name: N-[(3S,4S)-3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxan-4-yl]propanamide Ligand Info
Structure Description FGFR4 complex with BLU-554, N-((3S,4S)-3-((6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl)amino)tetrahydro-2H-pyran-4-yl)acrylamide PDB:6NVK
Method X-ray diffraction Resolution 2.30 Å Mutation No [18]
PDB Sequence
DLPLDPLWEF
462
PRDRLVLGKP
472
LGEGQVVRAE
485
AFGMDPARPD
495
QASTVAVKML
505

KDNASDKDLA
515
DLVSEMEVMK
525
LIGRHKNIIN
535
LLGVCTQEGP
545
LYVIVECAAK
555

GNLREFLRAR
565
RPPGSSEGPL
575
SFPVLVSCAY
585
QVARGMQYLE
595
SRKCIHRDLA
605

ARNVLVTEDN
615
VMKIADFGLP
643
VKWMAPEALF
653
DRVYTHQSDV
663
WSFGILLWEI
673

FTLGGSPYPG
683
IPVEELFSLL
693
REGHRMDRPP
703
HCPPELYGLM
713
RECWHAAPSQ
723

RPTFKQLVEA
733
LDKVLLAV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XL9 or .XL92 or .XL93 or :3XL9;style chemicals stick;color identity;select .A:473 or .A:481 or .A:483 or .A:499 or .A:501 or .A:502 or .A:503 or .A:517 or .A:520 or .A:524 or .A:534 or .A:548 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:555 or .A:556 or .A:557 or .A:610 or .A:620 or .A:621 or .A:622 or .A:623; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.470
VAL481
3.598
ARG483
3.445
THR499
4.063
ALA501
4.120
VAL502
4.521
LYS503
3.538
LEU517
4.841
GLU520
3.561
MET524
3.836
ILE534
3.739
VAL548
3.737
VAL550
3.487
Residue
Distance (Å)
GLU551
3.386
CYS552
1.832
ALA553
3.015
ALA554
3.398
LYS555
4.747
GLY556
3.428
ASN557
4.823
LEU610
3.331
ALA620
3.217
ASP621
3.186
PHE622
4.000
GLY623
4.020
Ligand Name: N-[2-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]-3-fluorophenyl]propanamide Ligand Info
Structure Description FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-fluorophenyl)acrylamide PDB:6NVJ
Method X-ray diffraction Resolution 2.30 Å Mutation No [18]
PDB Sequence
DLPLDPLWEF
462
PRDRLVLGKP
472
LGEGGQVVRA
484
EAFGMDPARP
494
DQASTVAVKM
504

LKDNASDKDL
514
ADLVSEMEVM
524
KLIGRHKNII
534
NLLGVCTQEG
544
PLYVIVECAA
554

KGNLREFLRA
564
RRPPGSSEGP
574
LSFPVLVSCA
584
YQVARGMQYL
594
ESRKCIHRDL
604

AARNVLVTED
614
NVMKIADFGL
624
PVKWMAPEAL
652
FDRVYTHQSD
662
VWSFGILLWE
672

IFTLGGSPYP
682
GIPVEELFSL
692
LREGHRMDRP
702
PHCPPELYGL
712
MRECWHAAPS
722

QRPTFKQLVE
732
ALDKVLLAVS
742
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XL5 or .XL52 or .XL53 or :3XL5;style chemicals stick;color identity;select .A:473 or .A:481 or .A:483 or .A:499 or .A:501 or .A:502 or .A:503 or .A:517 or .A:520 or .A:524 or .A:534 or .A:548 or .A:550 or .A:551 or .A:552 or .A:553 or .A:554 or .A:556 or .A:557 or .A:610 or .A:619 or .A:620 or .A:621 or .A:622; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU473
3.319
VAL481
3.575
ARG483
3.002
THR499
3.870
ALA501
3.787
VAL502
4.246
LYS503
3.714
LEU517
4.991
GLU520
3.181
MET524
3.353
ILE534
3.466
VAL548
3.697
Residue
Distance (Å)
VAL550
3.487
GLU551
3.206
CYS552
1.841
ALA553
2.706
ALA554
3.830
GLY556
3.560
ASN557
4.242
LEU610
3.587
ILE619
4.832
ALA620
3.210
ASP621
3.018
PHE622
3.629
References  Top
REF 1 Structural insights into FGFR kinase isoform selectivity: diverse binding modes of AZD4547 and ponatinib in complex with FGFR1 and FGFR4. Structure. 2014 Dec 2;22(12):1764-1774.
REF 2 Structural analysis of the human fibroblast growth factor receptor 4 kinase. J Mol Biol. 2014 Nov 11;426(22):3744-3756.
REF 3 Crystal Structure of the FGFR4/LY2874455 Complex Reveals Insights into the Pan-FGFR Selectivity of LY2874455. PLoS One. 2016 Sep 12;11(9):e0162491.
REF 4 Discovery of Roblitinib (FGF401) as a Reversible-Covalent Inhibitor of the Kinase Activity of Fibroblast Growth Factor Receptor 4. J Med Chem. 2020 Nov 12;63(21):12542-12573.
REF 5 Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors. doi:10.1038/s42004-021-00623-x.
REF 6 DFG-out mode of inhibition by an irreversible type-1 inhibitor capable of overcoming gate-keeper mutations in FGF receptors. ACS Chem Biol. 2015 Jan 16;10(1):299-309.
REF 7 Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors. Proc Natl Acad Sci U S A. 2014 Nov 11;111(45):E4869-77.
REF 8 Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J Med Chem. 2019 Aug 22;62(16):7473-7488.
REF 9 Development of a Potent and Specific FGFR4 Inhibitor for the Treatment of Hepatocellular Carcinoma. J Med Chem. 2020 Oct 22;63(20):11484-11497.
REF 10 Structure-based design of a dual-warhead covalent inhibitor of FGFR4. Commun Chem. 2022 Mar 17;5(1):36.
REF 11 Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2-b]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors. J Med Chem. 2022 Nov 10;65(21):14809-14831.
REF 12 Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J Med Chem. 2022 Mar 24;65(6):5113-5133.
REF 13 Investigation of Covalent Warheads in the Design of 2-Aminopyrimidine-based FGFR4 Inhibitors. ACS Med Chem Lett. 2021 Mar 22;12(4):647-652.
REF 14 Approaches to selective fibroblast growth factor receptor 4 inhibition through targeting the ATP-pocket middle-hinge region. Medchemcomm. 2017 Jun 8;8(8):1604-1613.
REF 15 Characterization of an aromatic trifluoromethyl ketone as a new warhead for covalently reversible kinase inhibitor design. Bioorg Med Chem. 2021 Nov 15;50:116457.
REF 16 First Selective Small Molecule Inhibitor of FGFR4 for the Treatment of Hepatocellular Carcinomas with an Activated FGFR4 Signaling Pathway. Cancer Discov. 2015 Apr;5(4):424-37.
REF 17 Discovery of Selective, Covalent FGFR4 Inhibitors with Antitumor Activity in Models of Hepatocellular Carcinoma. ACS Med Chem Lett. 2020 Mar 6;11(10):1899-1904.
REF 18 Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4. ACS Med Chem Lett. 2019 Jul 3;10(8):1180-1186.

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