Binding Site Information of Target

Content Navigation (  All   None )                                      
Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T28413 Target Info
Target Name Ephrin type-A receptor 3 (EPHA3)
Synonyms hEK4; Tyrosineprotein kinase receptor ETK1; Tyrosineprotein kinase TYRO4; Tyrosine-protein kinase receptor ETK1; Tyrosine-protein kinase TYRO4; TYRO4; Human embryo kinase; HEK; Ephrin typeA receptor 3; Ephlike tyrosine kinase 1; Eph-like tyrosine kinase 1; ETK1; ETK protein; EPHlike kinase 4; EPH-like kinase 4; EK4
Target Type Clinical trial Target
Gene Name EPHA3
Biochemical Class Kinase
UniProt ID
EPHA3_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: Phosphonotyrosine Ligand Info
Structure Description Human EphA3 kinase and juxtamembrane region, dephosphorylated, AMP-PNP bound PDB:2QO7
Method X-ray diffraction Resolution 1.60 Å Mutation No [1]
PDB Sequence
TYVDPHTVHE
611
FAKELDATNI
621
SIDKVVGAGE
631
FGEVCSGRLK
641
LPSKKEISVA
651

IKTLKVGYTE
661
KQRRDFLGEA
671
SIMGQFDHPN
681
IIRLEGVVTK
691
SKPVMIVTEM
702

ENGSLDSFLR
712
KHDAQFTVIQ
722
LVGMLRGIAS
732
GMKYLSDMGY
742
VHRDLAARNI
752

LINSNLVCKV
762
SDFGPIRWTS
792
PEAIAYRKFT
802
SASDVWSYGI
812
VLWEVMSYGE
822

RPYWEMSNQD
832
VIKAVDEGYR
842
LPPPMDCPAA
852
LYQLMLDCWQ
862
KDRNNRPKFE
872

QIVSILDKLI
882
RNPGSLKIIT
892
SPSNLLLD
Residue
Distance (Å)
ASP624
4.368
LYS625
2.323
SER637
3.554
SER649
3.374
VAL650
3.659
ALA651
4.023
Residue
Distance (Å)
THR699
3.490
GLU700
1.326
MET702
1.332
GLU703
3.600
ASN755
4.601
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: Doramapimod Ligand Info
Structure Description Human EphA3 Kinase domain in complex with Birb796 PDB:4TWN
Method X-ray diffraction Resolution 1.71 Å Mutation No [2]
PDB Sequence
TVHEFAKELD
617
ATNISIDKVV
627
GAGEFGEVCS
637
GRLKLPSKKE
647
ISVAIKTLKV
657

GYTEKQRRDF
667
LGEASIMGQF
677
DHPNIIRLEG
687
VVTKSKPVMI
697
VTEYMENGSL
707

DSFLRKHDAQ
717
FTVIQLVGML
727
RGIASGMKYL
737
SDMGYVHRDL
747
AARNILINSN
757

LVCKVSDFGL
767
SRKIPIRWTS
792
PEAIAYRKFT
802
SASDVWSYGI
812
VLWEVMSYGE
822

RPYWEMSNQD
832
VIKAVDEGYR
842
LPPPMDCPAA
852
LYQLMLDCWQ
862
KDRNNRPKFE
872

QIVSILDKLI
882
RNPGSLKIIT
892
SNLLLD
Residue
Distance (Å)
VAL627
4.623
VAL635
3.799
ALA651
3.930
ILE652
4.311
LYS653
3.482
GLU670
2.778
ILE673
3.536
MET674
3.615
PHE677
3.791
ILE682
3.898
ILE683
3.711
ILE697
3.722
THR699
3.589
TYR701
3.702
MET702
2.920
Residue
Distance (Å)
GLU703
4.752
ASN704
4.996
GLY705
3.349
SER706
4.674
LEU737
4.316
TYR742
3.520
HIS744
3.896
LEU753
3.883
VAL762
3.999
SER763
3.388
ASP764
2.932
PHE765
3.348
LEU767
3.636
SER768
3.539
Ligand Name: PMID19788238C66 Ligand Info
Structure Description Human EphA3 Kinase domain in complex with ligand 66 PDB:4GK2
Method X-ray diffraction Resolution 2.19 Å Mutation No [3]
PDB Sequence
VHEFAKELDA
618
TNISIDKVVG
628
AGEFGEVCSG
638
RLKLPSKKEI
648
SVAIKTLKVG
658

YTEKQRRDFL
668
GEASIMGQFD
678
HPNIIRLEGV
688
VTKSKPVMIV
698
TEYMENGSLD
708

SFLRKHDAQF
718
TVIQLVGMLR
728
GIASGMKYLS
738
DMGYVHRDLA
748
ARNILINSNL
758

VCKVSDFGLP
787
IRWTSPEAIA
797
YRKFTSASDV
807
WSYGIVLWEV
817
MSYGERPYWE
827

MSNQDVIKAV
837
DEGYRLPPPM
847
DCPAALYQLM
857
LDCWQKDRNN
867
RPKFEQIVSI
877

LDKLIRLKII
891
TNLLL
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L66 or .L662 or .L663 or :3L66;style chemicals stick;color identity;select .A:627 or .A:630 or .A:635 or .A:651 or .A:652 or .A:653 or .A:670 or .A:674 or .A:683 or .A:697 or .A:699 or .A:700 or .A:701 or .A:702 or .A:703 or .A:704 or .A:705 or .A:706 or .A:750 or .A:751 or .A:752 or .A:753 or .A:763 or .A:764 or .A:765; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL627
3.770
GLY630
4.312
VAL635
3.373
ALA651
3.248
ILE652
4.063
LYS653
3.147
GLU670
2.589
MET674
3.579
ILE683
4.903
ILE697
4.059
THR699
3.491
GLU700
3.919
TYR701
3.685
Residue
Distance (Å)
MET702
2.822
GLU703
4.403
ASN704
4.751
GLY705
3.383
SER706
4.670
ARG750
3.652
ASN751
4.096
ILE752
4.980
LEU753
3.468
SER763
3.007
ASP764
2.778
PHE765
4.196
Ligand Name: AMP-PNP Ligand Info
Structure Description Human EphA3 kinase domain, phosphorylated, AMP-PNP bound structure PDB:2QOC
Method X-ray diffraction Resolution 1.25 Å Mutation No [1]
PDB Sequence
AKELDATNIS
622
IDKVVGAGEF
632
GEVCSGRLKL
642
PSKKEISVAI
652
KTLKVGYTEK
662

QRRDFLGEAS
672
IMGQFDHPNI
682
IRLEGVVTKS
692
KPVMIVTEYM
702
ENGSLDSFLR
712

KHDAQFTVIQ
722
LVGMLRGIAS
732
GMKYLSDMGY
742
VHRDLAARNI
752
LINSNLVCKV
762

SDFGLSRVLE
772
DKIPIRWTSP
793
EAIAYRKFTS
803
ASDVWSYGIV
813
LWEVMSYGER
823

PYWEMSNQDV
833
IKAVDEGYRL
843
PPPMDCPAAL
853
YQLMLDCWQK
863
DRNNRPKFEQ
873

IVSILDKLIR
883
NPGSLKIITS
893
AAARPSNLLL
903
DQS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ANP or .ANP2 or .ANP3 or :3ANP;style chemicals stick;color identity;select .A:627 or .A:628 or .A:629 or .A:630 or .A:635 or .A:651 or .A:653 or .A:683 or .A:699 or .A:700 or .A:701 or .A:702 or .A:703 or .A:705 or .A:706 or .A:708 or .A:750 or .A:751 or .A:753 or .A:764; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL627
4.442
GLY628
3.902
ALA629
3.507
GLY630
4.269
VAL635
3.786
ALA651
3.311
LYS653
4.723
ILE683
4.788
THR699
3.489
GLU700
2.879
Residue
Distance (Å)
TYR701
3.591
MET702
2.898
GLU703
4.879
GLY705
3.451
SER706
2.607
ASP708
4.870
ARG750
3.076
ASN751
2.950
LEU753
3.522
ASP764
3.961
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: 2-amino-1-(2-chlorophenyl)-N-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide Ligand Info
Structure Description Human EphA3 Kinase domain in complex with quinoxaline derivatives PDB:4P5Q
Method X-ray diffraction Resolution 1.35 Å Mutation No [4]
PDB Sequence
VHEFAKELDA
618
TNISIDKVVG
628
AGEFGEVCSG
638
RLKLPSKKEI
648
SVAIKTLKVG
658

YTEKQRRDFL
668
GEASIMGQFD
678
HPNIIRLEGV
688
VTKSKPVMIV
698
TEYMENGSLD
708

SFLRKHDAQF
718
TVIQLVGMLR
728
GIASGMKYLS
738
DMGYVHRDLA
748
ARNILINSNL
758

VCKVSDFGLS
768
RIPIRWTSPE
794
AIAYRKFTSA
804
SDVWSYGIVL
814
WEVMSYGERP
824

YWEMSNQDVI
834
KAVDEGYRLP
844
PPMDCPAALY
854
QLMLDCWQKD
864
RNNRPKFEQI
874

VSILDKLIRN
884
PGSLKIITPS
899
NLLLD
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q0B or .Q0B2 or .Q0B3 or :3Q0B;style chemicals stick;color identity;select .A:627 or .A:628 or .A:629 or .A:630 or .A:635 or .A:651 or .A:652 or .A:653 or .A:670 or .A:674 or .A:683 or .A:697 or .A:699 or .A:700 or .A:701 or .A:702 or .A:703 or .A:704 or .A:705 or .A:713 or .A:753 or .A:763 or .A:764; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL627
4.155
GLY628
3.897
ALA629
3.869
GLY630
4.522
VAL635
3.526
ALA651
3.219
ILE652
3.962
LYS653
3.255
GLU670
3.846
MET674
3.440
ILE683
4.473
ILE697
4.183
Residue
Distance (Å)
THR699
2.833
GLU700
3.230
TYR701
3.486
MET702
2.792
GLU703
3.130
ASN704
3.702
GLY705
3.471
LYS713
4.303
LEU753
3.593
SER763
3.041
ASP764
4.414
Ligand Name: 2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide Ligand Info
Structure Description Human EphA3 Kinase domain in complex with quinoxaline derivatives PDB:4P4C
Method X-ray diffraction Resolution 1.60 Å Mutation No [4]
PDB Sequence
AKELDATNIS
622
IDKVVGAGEF
632
GEVCSGRLKL
642
PSKKEISVAI
652
KTLKVGYTEK
662

QRRDFLGEAS
672
IMGQFDHPNI
682
IRLEGVVTKS
692
KPVMIVTEYM
702
ENGSLDSFLR
712

KHDAQFTVIQ
722
LVGMLRGIAS
732
GMKYLSDMGY
742
VHRDLAARNI
752
LINSNLVCKV
762

SDFPIRWTSP
793
EAIAYRKFTS
803
ASDVWSYGIV
813
LWEVMSYGER
823
PYWEMSNQDV
833

IKAVDEGYRL
843
PPPMDCPAAL
853
YQLMLDCWQK
863
DRNNRPKFEQ
873
IVSILDKLIR
883

NPGSLKIITP
898
SNLLLD
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .25Q or .25Q2 or .25Q3 or :325Q;style chemicals stick;color identity;select .A:627 or .A:628 or .A:629 or .A:635 or .A:651 or .A:652 or .A:653 or .A:670 or .A:674 or .A:683 or .A:697 or .A:698 or .A:699 or .A:700 or .A:701 or .A:702 or .A:705 or .A:706 or .A:753 or .A:763; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL627
3.909
GLY628
4.038
ALA629
4.344
VAL635
3.847
ALA651
3.161
ILE652
3.870
LYS653
3.271
GLU670
3.530
MET674
3.886
ILE683
3.847
Residue
Distance (Å)
ILE697
3.230
VAL698
4.150
THR699
2.883
GLU700
3.274
TYR701
3.561
MET702
2.693
GLY705
4.246
SER706
4.812
LEU753
3.443
SER763
3.427
Ligand Name: 1-Amino-5-(5-Hydroxy-2-Methylphenyl)-7,8,9,10-Tetrahydropyrimido[4,5-C]isoquinolin-6(5h)-One Ligand Info
Structure Description Human EphA3 kinase domain in complex with compound 7 PDB:4G2F
Method X-ray diffraction Resolution 1.70 Å Mutation No [5]
PDB Sequence
VHEFAKELDA
618
TNISIDKVVG
628
AGEFGEVCSG
638
RLKLPSKKEI
648
SVAIKTLKVG
658

YTEKQRRDFL
668
GEASIMGQFD
678
HPNIIRLEGV
688
VTKSKPVMIV
698
TEYMENGSLD
708

SFLRKHDAQF
718
TVIQLVGMLR
728
GIASGMKYLS
738
DMGYVHRDLA
748
ARNILINSNL
758

VCKVSDFGLS
768
RVLPIRWTSP
793
EAIAYRKFTS
803
ASDVWSYGIV
813
LWEVMSYGER
823

PYWEMSNQDV
833
IKAVDEGYRL
843
PPPMDCPAAL
853
YQLMLDCWQK
863
DRNNRPKFEQ
873

IVSILDKLIR
883
NPGSLKIITP
898
SNLLL
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C07 or .C072 or .C073 or :3C07;style chemicals stick;color identity;select .A:627 or .A:628 or .A:635 or .A:651 or .A:652 or .A:653 or .A:670 or .A:674 or .A:683 or .A:697 or .A:699 or .A:700 or .A:701 or .A:702 or .A:705 or .A:706 or .A:753 or .A:763 or .A:764 or .A:765; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL627
4.337
GLY628
4.864
VAL635
4.060
ALA651
3.275
ILE652
4.139
LYS653
3.316
GLU670
2.510
MET674
3.832
ILE683
4.614
ILE697
4.354
Residue
Distance (Å)
THR699
3.136
GLU700
2.840
TYR701
3.941
MET702
3.014
GLY705
4.508
SER706
4.609
LEU753
3.402
SER763
2.817
ASP764
2.998
PHE765
4.387
Ligand Name: N-[2-methyl-5-[[[3-(4-methyl-1-imidazolyl)-5-(trifluoromethyl)phenyl]-oxomethyl]amino]phenyl]-5-isoxazolecarboxamide Ligand Info
Structure Description Human EphA3 kinase domain in complex with inhibitor AWL-II-38.3 PDB:3DZQ
Method X-ray diffraction Resolution 1.75 Å Mutation No [6]
PDB Sequence
VHEFAKELDA
618
TNISIDKVVG
628
AGEFGEVCSG
638
RLKLPSKKEI
648
SVAIKTLKVG
658

YTEKQRRDFL
668
GEASIMGQFD
678
HPNIIRLEGV
688
VTKSKPVMIV
698
TEYMENGSLD
708

SFLRKHDAQF
718
TVIQLVGMLR
728
GIASGMKYLS
738
DMGYVHRDLA
748
ARNILINSNL
758

VCKVSDFGLP
787
IRWTSPEAIA
797
YRKFTSASDV
807
WSYGIVLWEV
817
MSYGERPYWE
827

MSNQDVIKAV
837
DEGYRLPPPM
847
DCPAALYQLM
857
LDCWQKDRNN
867
RPKFEQIVSI
877

LDKLIRNPLK
889
IITNLLLD
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IFC or .IFC2 or .IFC3 or :3IFC;style chemicals stick;color identity;select .A:632 or .A:635 or .A:651 or .A:652 or .A:653 or .A:669 or .A:670 or .A:673 or .A:674 or .A:677 or .A:682 or .A:683 or .A:697 or .A:698 or .A:699 or .A:700 or .A:701 or .A:702 or .A:737 or .A:742 or .A:744 or .A:753 or .A:762 or .A:763 or .A:764 or .A:765; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PHE632
3.608
VAL635
3.905
ALA651
3.166
ILE652
4.046
LYS653
3.756
GLY669
4.957
GLU670
2.912
ILE673
3.450
MET674
3.321
PHE677
3.547
ILE682
3.694
ILE683
3.343
ILE697
3.486
Residue
Distance (Å)
VAL698
4.973
THR699
3.028
GLU700
3.557
TYR701
4.037
MET702
3.158
LEU737
4.146
TYR742
3.662
HIS744
3.372
LEU753
3.502
VAL762
3.543
SER763
2.173
ASP764
3.074
PHE765
3.506
Ligand Name: 8-Butyl-1-Methyl-7-(2-Methylphenyl)-1h-Imidazo[2,1-F]purine-2,4(3h,8h)-Dione Ligand Info
Structure Description Human EphA3 Kinase domain in complex with ligand 87 PDB:4GK3
Method X-ray diffraction Resolution 1.90 Å Mutation No [3]
PDB Sequence
VHEFAKELDA
618
TNISIDKVVG
628
AGEFGEVCSG
638
RLKLPSKKEI
648
SVAIKTLKVG
658

YTEKQRRDFL
668
GEASIMGQFD
678
HPNIIRLEGV
688
VTKSKPVMIV
698
TEYMENGSLD
708

SFLRKHDAQF
718
TVIQLVGMLR
728
GIASGMKYLS
738
DMGYVHRDLA
748
ARNILINSNL
758

VCKVSDFGLS
768
RVLIPIRWTS
792
PEAIAYRKFT
802
SASDVWSYGI
812
VLWEVMSYGE
822

RPYWEMSNQD
832
VIKAVDEGYR
842
LPPPMDCPAA
852
LYQLMLDCWQ
862
KDRNNRPKFE
872

QIVSILDKLI
882
RNPGSLKIIT
892
SNLLL
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L87 or .L872 or .L873 or :3L87;style chemicals stick;color identity;select .A:627 or .A:635 or .A:651 or .A:652 or .A:653 or .A:670 or .A:674 or .A:683 or .A:697 or .A:699 or .A:700 or .A:701 or .A:702 or .A:703 or .A:704 or .A:705 or .A:706 or .A:750 or .A:751 or .A:753 or .A:763 or .A:764; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL627
4.110
VAL635
3.956
ALA651
3.298
ILE652
4.134
LYS653
3.403
GLU670
3.502
MET674
3.280
ILE683
4.961
ILE697
3.652
THR699
3.277
GLU700
3.737
Residue
Distance (Å)
TYR701
3.626
MET702
2.844
GLU703
4.580
ASN704
4.809
GLY705
3.317
SER706
4.569
ARG750
3.968
ASN751
4.170
LEU753
3.416
SER763
3.007
ASP764
4.164
Ligand Name: 2-Amino-1-[4-({[3-(Trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1h-Pyrrolo[2,3-B]quinoxaline-3-Carboxamide Ligand Info
Structure Description Human EphA3 Kinase domain in complex with quinoxaline derivatives PDB:4P5Z
Method X-ray diffraction Resolution 2.00 Å Mutation No [4]
PDB Sequence
VHEFAKELDA
618
TNISIDKVVG
628
AGEFGEVCSG
638
RLKLPSKKEI
648
SVAIKTLKVG
658

YTEKQRRDFL
668
GEASIMGQFD
678
HPNIIRLEGV
688
VTKSKPVMIV
698
TEYMENGSLD
708

SFLRKHDAQF
718
TVIQLVGMLR
728
GIASGMKYLS
738
DMGYVHRDLA
748
ARNILINSNL
758

VCKVSDFPIR
789
WTSPEAIAYR
799
KFTSASDVWS
809
YGIVLWEVMS
819
YGERPYWEMS
829

NQDVIKAVDE
839
GYRLPPPMDC
849
PAALYQLMLD
859
CWQKDRNNRP
869
KFEQIVSILD
879

KLIRNPGSLK
889
IITNLLL
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q7M or .Q7M2 or .Q7M3 or :3Q7M;style chemicals stick;color identity;select .A:627 or .A:628 or .A:629 or .A:630 or .A:635 or .A:651 or .A:653 or .A:670 or .A:673 or .A:674 or .A:677 or .A:682 or .A:683 or .A:697 or .A:699 or .A:700 or .A:701 or .A:702 or .A:703 or .A:705 or .A:737 or .A:742 or .A:744 or .A:753 or .A:762 or .A:763 or .A:764 or .A:765; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL627
3.159
GLY628
2.757
ALA629
3.104
GLY630
3.390
VAL635
2.682
ALA651
2.885
LYS653
1.778
GLU670
1.882
ILE673
2.875
MET674
2.737
PHE677
2.479
ILE682
2.855
ILE683
2.527
ILE697
4.150
Residue
Distance (Å)
THR699
2.457
GLU700
2.809
TYR701
3.040
MET702
2.130
GLU703
4.414
GLY705
3.298
LEU737
2.953
TYR742
2.607
HIS744
3.076
LEU753
1.794
VAL762
3.418
SER763
1.640
ASP764
1.882
PHE765
2.474
Ligand Name: 5-{[3-Carbamoyl-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid Ligand Info
Structure Description Human EphA3 Kinase domain in complex with compound 164 PDB:4TWO
Method X-ray diffraction Resolution 2.05 Å Mutation No [2]
PDB Sequence
VHEFAKELDA
618
TNISIDKVVG
628
AGEFGEVCSG
638
RLKLPSKKEI
648
SVAIKTLKVG
658

YTEKQRRDFL
668
GEASIMGQFD
678
HPNIIRLEGV
688
VTKSKPVMIV
698
TEYMENGSLD
708

SFLRKHDAQF
718
TVIQLVGMLR
728
GIASGMKYLS
738
DMGYVHRDLA
748
ARNILINSNL
758

VCKVSDFGLS
768
RVLPIRWTSP
793
EAIAYRKFTS
803
ASDVWSYGIV
813
LWEVMSYGER
823

PYWEMSNQDV
833
IKAVDEGYRL
843
PPPMDCPAAL
853
YQLMLDCWQK
863
DRNNRPKFEQ
873

IVSILDKLIR
883
NPGSLKIITP
898
SNLLLDQS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .37W or .37W2 or .37W3 or :337W;style chemicals stick;color identity;select .A:625 or .A:627 or .A:635 or .A:651 or .A:652 or .A:653 or .A:670 or .A:674 or .A:683 or .A:697 or .A:698 or .A:699 or .A:700 or .A:701 or .A:702 or .A:703 or .A:704 or .A:705 or .A:753 or .A:763; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LYS625
3.665
VAL627
3.667
VAL635
3.934
ALA651
3.185
ILE652
3.958
LYS653
3.508
GLU670
4.140
MET674
3.721
ILE683
3.860
ILE697
3.477
Residue
Distance (Å)
VAL698
4.859
THR699
3.242
GLU700
3.222
TYR701
3.320
MET702
3.054
GLU703
3.129
ASN704
4.683
GLY705
3.728
LEU753
3.513
SER763
3.713
Ligand Name: 8-Butyl-1-Methyl-7-(5-Methyl-1h-Indazol-4-Yl)-1h-Imidazo[2,1-F]purine-2,4(3h,8h)-Dione Ligand Info
Structure Description Human EphA3 Kinase domain in complex with ligand 90 PDB:4GK4
Method X-ray diffraction Resolution 2.10 Å Mutation No [3]
PDB Sequence
VHEFAKELDA
618
TNISIDKVVG
628
AGEFGEVCSG
638
RLKLPSKKEI
648
SVAIKTLKVG
658

YTEKQRRDFL
668
GEASIMGQFD
678
HPNIIRLEGV
688
VTKSKPVMIV
698
TEYMENGSLD
708

SFLRKHDAQF
718
TVIQLVGMLR
728
GIASGMKYLS
738
DMGYVHRDLA
748
ARNILINSNL
758

VCKVSDFGLS
768
RVLKIPIRWT
791
SPEAIAYRKF
801
TSASDVWSYG
811
IVLWEVMSYG
821

ERPYWEMSNQ
831
DVIKAVDEGY
841
RLPPPMDCPA
851
ALYQLMLDCW
861
QKDRNNRPKF
871

EQIVSILDKL
881
IRNPGSLKII
891
TNLLL
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L90 or .L902 or .L903 or :3L90;style chemicals stick;color identity;select .A:627 or .A:635 or .A:651 or .A:652 or .A:653 or .A:670 or .A:674 or .A:683 or .A:697 or .A:699 or .A:700 or .A:701 or .A:702 or .A:703 or .A:704 or .A:705 or .A:706 or .A:750 or .A:751 or .A:753 or .A:763 or .A:764 or .A:765; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL627
4.249
VAL635
4.091
ALA651
3.022
ILE652
3.992
LYS653
3.200
GLU670
2.608
MET674
3.278
ILE683
4.493
ILE697
3.524
THR699
3.238
GLU700
3.259
TYR701
3.340
Residue
Distance (Å)
MET702
2.760
GLU703
4.300
ASN704
4.788
GLY705
3.522
SER706
4.755
ARG750
4.527
ASN751
4.585
LEU753
3.709
SER763
2.950
ASP764
2.792
PHE765
4.692
References  Top
REF 1 Autoregulation by the juxtamembrane region of the human ephrin receptor tyrosine kinase A3 (EphA3). Structure. 2008 Jun;16(6):873-84.
REF 2 Structural Analysis of the Binding of Type I, I1/2, and II Inhibitors to Eph Tyrosine Kinases. ACS Med Chem Lett. 2014 Sep 29;6(1):79-83.
REF 3 Optimization of inhibitors of the tyrosine kinase EphB4. 2. Cellular potency improvement and binding mode validation by X-ray crystallography. J Med Chem. 2013 Jan 10;56(1):84-96.
REF 4 Pyrrolo[3,2-b]quinoxaline derivatives as types I1/2 and II Eph tyrosine kinase inhibitors: structure-based design, synthesis, and in vivo validation. J Med Chem. 2014 Aug 14;57(15):6834-44.
REF 5 Discovery of a novel chemotype of tyrosine kinase inhibitors by fragment-based docking and molecular dynamics. ACS Med Chem Lett. 2012 Aug 23;3(10):834-8.
REF 6 Kinase Domain of Human Ephrin Type-A Receptor 3 (Epha3) in Complex with ALW-II-38-3.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.