Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T57278 | Target Info | |||
| Target Name | Ephrin type-A receptor 2 (EPHA2) | ||||
| Synonyms | Tyrosine-protein kinase receptor ECK; Epithelial cell kinase; EphA2receptor; ECK | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | EPHA2 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Dasatinib | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with dasatinib | PDB:5I9Y | ||||
| Method | X-ray diffraction | Resolution | 1.23 Å | Mutation | No | [1] |
| PDB Sequence |
AVLKFTTEIH
609 PSCVTRQKVI619 GAGEFGEVYK629 GMLKTKKEVP642 VAIKTLKAGY652 TEKQRVDFLG 662 EAGIMGQFSH672 HNIIRLEGVI682 SKYKPMMIIT692 EYMENGALDK702 FLREKDGEFS 712 VLQLVGMLRG722 IAAGMKYLAN732 MNYVHRDLAA742 RNILVNSNLV752 CKVSDFGLSR 762 VLEDDPEATY772 PIRWTAPEAI789 SYRKFTSASD799 VWSFGIVMWE809 VMTYGERPYW 819 ELSNHEVMKA829 INDGFRLPTP839 MDCPSAIYQL849 MMQCWQQERA859 RRPKFADIVS 869 ILDKLIRAPD879 SLKTLADFDP889 RVSIRLP
|
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|
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ILE619
3.409
GLY620
4.928
VAL627
4.055
ALA644
3.285
ILE645
3.818
LYS646
3.594
GLU663
3.482
MET667
3.815
ILE676
4.015
ILE690
3.599
ILE691
4.841
THR692
2.908
|
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| Ligand Name: Bosutinib | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with bosutinib (SKI-606) | PDB:5I9X | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [1] |
| PDB Sequence |
FTTEIHPSCV
613 TRQKVIGAGE623 FGEVYKGMLK633 TEVPVAIKTL648 KAGYTEKQRV658 DFLGEAGIMG 668 QFSHHNIIRL678 EGVISKYKPM688 MIITEYMENG698 ALDKFLREKD708 GEFSVLQLVG 718 MLRGIAAGMK728 YLANMNYVHR738 DLAARNILVN748 SNLVCKVSDF758 GLSRVLEDDP 768 EATYGKIPIR782 WTAPEAISYR792 KFTSASDVWS802 FGIVMWEVMT812 YGERPYWELS 822 NHEVMKAIND832 GFRLPTPMDC842 PSAIYQLMMQ852 CWQQERARRP862 KFADIVSILD 872 KLIRAPDSLK882 TLADFDPRVS892 IRLP
|
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ILE619
3.415
GLY620
4.173
VAL627
4.120
ALA644
3.174
ILE645
3.579
LYS646
3.334
GLU663
3.390
MET667
4.277
ILE676
3.383
ILE690
3.345
ILE691
4.556
|
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| Ligand Name: Aminocaproic acid | Ligand Info | |||||
| Structure Description | EphA2 LBD in complex with bA-WLA-Yam peptide | PDB:6NK0 | ||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | No | [2] |
| PDB Sequence |
GEVVLLDFAA
36 AGGWLTHPYG49 KGWDLMQNIM59 NDMPIYMYSV69 CNVMSGDQDN79 WLRTNWVYRG 89 EAERIFIELK99 FTVRDCNSFP109 GGASSCKETF119 NLYYAESDLD129 YGTNFQKRLF 139 TKIDTIAPDE149 ITVSSDFEAR159 HVKLNVEERS169 VGPLTRKGFY179 LAFQDIGACV 189 ALLSVRVYYK199 KAHHHHHH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ACA or .ACA2 or .ACA3 or :3ACA;style chemicals stick;color identity;select .A:78 or .A:80 or .A:122 or .A:136 or .A:137 or .A:138 or .A:139 or .A:140 or .A:141 or .A:183; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: MLN8237 | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with alisertib (MLN8237) | PDB:5IA0 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [1] |
| PDB Sequence |
FTTEIHPSCV
613 TRQKVIGAGE623 FGEVYKGMLK633 TKEVPVAIKT647 LKAGYTEKQR657 VDFLGEAGIM 667 GQFSHHNIIR677 LEGVISKYKP687 MMIITEYMEN697 GALDKFLREK707 DGEFSVLQLV 717 GMLRGIAAGM727 KYLANMNYVH737 RDLAARNILV747 NSNLVCKVSD757 FGIPIRWTAP 786 EAISYRKFTS796 ASDVWSFGIV806 MWEVMTYGER816 PYWELSNHEV826 MKAINDGFRL 836 PTPMDCPSAI846 YQLMMQCWQQ856 ERARRPKFAD866 IVSILDKLIR876 APDSLKTLAD 886 FDP
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A5B or .A5B2 or .A5B3 or :3A5B;style chemicals stick;color identity;select .A:619 or .A:620 or .A:621 or .A:622 or .A:627 or .A:644 or .A:646 or .A:663 or .A:667 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:699 or .A:702 or .A:743 or .A:744 or .A:746 or .A:756 or .A:757; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.608
GLY620
4.097
ALA621
3.470
GLY622
4.092
VAL627
3.863
ALA644
3.399
LYS646
3.287
GLU663
3.085
MET667
4.888
THR692
4.121
GLU693
4.113
TYR694
3.222
|
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| Ligand Name: PHA-739358 | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with danusertib (PHA739358) | PDB:5I9Z | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [1] |
| PDB Sequence |
FTTEIHPSCV
613 TRQKVIGAGG625 EVYKGMLKTK639 EVPVAIKTLK649 AGYTEKQRVD659 FLGEAGIMGQ 669 FSHHNIIRLE679 GVISKYKPMM689 IITEYMENGA699 LDKFLREKDG709 EFSVLQLVGM 719 LRGIAAGMKY729 LANMNYVHRD739 LAARNILVNS749 NLVCKVSDFG759 LSRVLIPIRW 783 TAPEAISYRK793 FTSASDVWSF803 GIVMWEVMTY813 GERPYWELSN823 HEVMKAINDG 833 FRLPTPMDCP843 SAIYQLMMQC853 WQQERARRPK863 FADIVSILDK873 LIRAPDSLKT 883 LADFDPRVSI893 RLP
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .627 or .6272 or .6273 or :3627;style chemicals stick;color identity;select .A:619 or .A:621 or .A:622 or .A:627 or .A:644 or .A:646 or .A:663 or .A:676 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:699 or .A:706 or .A:743 or .A:744 or .A:745 or .A:746 or .A:756 or .A:757; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE619
3.526
ALA621
4.057
GLY622
4.365
VAL627
4.092
ALA644
3.266
LYS646
3.340
GLU663
4.810
ILE676
4.966
THR692
3.395
GLU693
2.865
TYR694
3.487
MET695
2.888
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| Ligand Name: XL880 | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with foretinib (XL880) | PDB:5IA4 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
TTEIHPSCVT
614 RQKVIGAGEF624 GEVYKGMLKK638 KEVPVAIKTL648 KAGYTEKQRV658 DFLGEAGIMG 668 QFSHHNIIRL678 EGVISKYKPM688 MIITEYMENG698 ALDKFLREKD708 GEFSVLQLVG 718 MLRGIAAGMK728 YLANMNYVHR738 DLAARNILVN748 SNLVCKVSDF758 GLSRVLEDDP 768 EATYTTSGGK778 IPIRWTAPEA788 ISYRKFTSAS798 DVWSFGIVMW808 EVMTYGERPY 818 WELSNHEVMK828 AINDGFRLPT838 PMDCPSAIYQ848 LMMQCWQQER858 ARRPKFADIV 868 SILDKLIRA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .88Z or .88Z2 or .88Z3 or :388Z;style chemicals stick;color identity;select .A:619 or .A:620 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:664 or .A:666 or .A:667 or .A:670 or .A:675 or .A:676 or .A:690 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:706 or .A:730 or .A:735 or .A:737 or .A:746 or .A:755 or .A:756 or .A:757 or .A:758; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE619
3.477
GLY620
4.312
VAL627
3.755
ALA644
3.312
ILE645
4.646
LYS646
3.240
GLU663
3.655
ALA664
4.138
ILE666
4.887
MET667
3.634
PHE670
3.880
ILE675
3.971
ILE676
3.830
ILE690
4.222
THR692
3.524
|
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| Ligand Name: E-7050 | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with golvatinib (E7050) | PDB:5IA5 | ||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [1] |
| PDB Sequence |
TTEIHPSCVT
614 RQKVIGAGEF624 GEVYKGMLKT634 SKEVPVAIKT647 LKAGYTEKQR657 VDFLGEAGIM 667 GQFSHHNIIR677 LEGVISKYKP687 MMIITEYMEN697 GALDKFLREK707 DGEFSVLQLV 717 GMLRGIAAGM727 KYLANMNYVH737 RDLAARNILV747 NSNLVCKVSD757 FGLSRVLEDD 767 PEATYTTSGG777 KIPIRWTAPE787 AISYRKFTSA797 SDVWSFGIVM807 WEVMTYGERP 817 YWELSNHEVM827 KAINDGFRLP837 TPMDCPSAIY847 QLMMQCWQQE857 RARRPKFADI 867 VSILDKLIRA877 PDS
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GV0 or .GV02 or .GV03 or :3GV0;style chemicals stick;color identity;select .A:619 or .A:627 or .A:644 or .A:646 or .A:663 or .A:664 or .A:666 or .A:667 or .A:670 or .A:675 or .A:676 or .A:690 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:706 or .A:730 or .A:735 or .A:737 or .A:746 or .A:755 or .A:756 or .A:757 or .A:758; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE619
3.734
VAL627
3.628
ALA644
3.206
LYS646
2.879
GLU663
3.724
ALA664
4.268
ILE666
4.852
MET667
3.611
PHE670
3.959
ILE675
3.801
ILE676
3.833
ILE690
4.395
THR692
3.622
GLU693
3.308
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| Ligand Name: MLN8054 | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with MLN8054 | PDB:5IA1 | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [1] |
| PDB Sequence |
TTEIHPSCVT
614 RQKVIGAGEF624 GEVYKGMLKE640 VPVAIKTLKA650 GYTEKQRVDF660 LGEAGIMGQF 670 SHHNIIRLEG680 VISKYKPMMI690 ITEYMENGAL700 DKFLREKDGE710 FSVLQLVGML 720 RGIAAGMKYL730 ANMNYVHRDL740 AARNILVNSN750 LVCKVSDFGL760 SIPIRWTAPE 787 AISYRKFTSA797 SDVWSFGIVM807 WEVMTYGERP817 YWELSNHEVM827 KAINDGFRLP 837 TPMDCPSAIY847 QLMMQCWQQE857 RARRPKFADI867 VSILDKLIRA877 PDSLKTLADF 887 D
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZZL or .ZZL2 or .ZZL3 or :3ZZL;style chemicals stick;color identity;select .A:619 or .A:620 or .A:621 or .A:622 or .A:627 or .A:644 or .A:646 or .A:676 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:699 or .A:702 or .A:743 or .A:744 or .A:746 or .A:756 or .A:757; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE619
3.522
GLY620
3.598
ALA621
3.833
GLY622
3.737
VAL627
3.738
ALA644
3.465
LYS646
2.949
ILE676
4.825
THR692
3.855
GLU693
3.910
TYR694
3.166
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| Ligand Name: L-betagamma-meATP | Ligand Info | |||||
| Structure Description | Crystal structure of the EphA2 intracellular KD-SAM domains | PDB:7KJA | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [3] |
| PDB Sequence |
GPGDPHTYED
596 PNQAVLKFTT606 EIHPSCVTRQ616 KVIGAGEFGE626 VYKGMLKTSS636 GKKEVPVAIK 646 TLKAGYTEKQ656 RVDFLGEAGI666 MGQFSHHNII676 RLEGVISKYK686 PMMIITEYME 696 NGALDKFLRE706 KDGEFSVLQL716 VGMLRGIAAG726 MKYLANMNYV736 HRDLAARNIL 746 VNSNLVCKVS756 DFGPIRWTAP786 EAISYRKFTS796 ASDVWSFGIV806 MWEVMTYGER 816 PYWELSNHEV826 MKAINDGFRL836 PTPMDCPSAI846 YQLMMQCWQQ856 ERARRPKFAD 866 IVSILDKLIR876 APDSLKTLAD886 FDPRVSIRLP896 STPFRTVSEW912 LESIKMQQYT 922 EHFMAAGYTA932 IEKVVQMTND942 DIKRIGVRLP952 GHQKRIAYSL962 LGLKDQVNTV 972 GIPI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ACP or .ACP2 or .ACP3 or :3ACP;style chemicals stick;color identity;select .A:619 or .A:620 or .A:621 or .A:622 or .A:623 or .A:624 or .A:625 or .A:627 or .A:644 or .A:646 or .A:676 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:698 or .A:699 or .A:739 or .A:743 or .A:744 or .A:746 or .A:757; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE619
2.809
GLY620
2.863
ALA621
2.996
GLY622
2.855
GLU623
1.818
PHE624
3.257
GLY625
4.933
VAL627
2.929
ALA644
2.054
LYS646
1.983
ILE676
2.334
THR692
1.875
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: AMP-PNP | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with ANP | PDB:5I9W | ||||
| Method | X-ray diffraction | Resolution | 1.36 Å | Mutation | No | [1] |
| PDB Sequence |
TTEIHPSCVT
614 RQKVIGAGEF624 GEVYKGMLKE640 VPVAIKTLKA650 GYTEKQRVDF660 LGEAGIMGQF 670 SHHNIIRLEG680 VISKYKPMMI690 ITEYMENGAL700 DKFLREKDGE710 FSVLQLVGML 720 RGIAAGMKYL730 ANMNYVHRDL740 AARNILVNSN750 LVCKVSDFGL760 IPIRWTAPEA 788 ISYRKFTSAS798 DVWSFGIVMW808 EVMTYGERPY818 WELSNHEVMK828 AINDGFRLPT 838 PMDCPSAIYQ848 LMMQCWQQER858 ARRPKFADIV868 SILDKLIRAP878 DSLKTLADFD 888 PRVSIRL
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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:619 or .A:620 or .A:621 or .A:622 or .A:623 or .A:627 or .A:644 or .A:646 or .A:676 or .A:692 or .A:693 or .A:694 or .A:695 or .A:698 or .A:699 or .A:744 or .A:746 or .A:756 or .A:757; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: PMID19788238C66 | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with compound 66 | PDB:5IA2 | ||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | No | [1] |
| PDB Sequence |
NQAVLKFTTE
607 IHPSCVTRQK617 VIGAGEFGEV627 YKGMLKTKEV641 PVAIKTLKAG651 YTEKQRVDFL 661 GEAGIMGQFS671 HHNIIRLEGV681 ISKYKPMMII691 TEYMENGALD701 KFLREKDGEF 711 SVLQLVGMLR721 GIAAGMKYLA731 NMNYVHRDLA741 ARNILVNSNL751 VCKVSDFGLS 761 RVLEDDPEAT771 YTTSGGKIPI781 RWTAPEAISY791 RKFTSASDVW801 SFGIVMWEVM 811 TYGERPYWEL821 SNHEVMKAIN831 DGFRLPTPMD841 CPSAIYQLMM851 QCWQQERARR 861 PKFADIVSIL871 DKLIRAPDSL881 KTLADFD
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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:619 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:699 or .A:743 or .A:744 or .A:746 or .A:756 or .A:757 or .A:758; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE619
3.615
VAL627
3.436
ALA644
3.297
ILE645
4.034
LYS646
3.815
GLU663
2.490
MET667
3.597
ILE676
4.937
ILE690
3.827
THR692
3.585
GLU693
3.788
TYR694
3.555
|
|||||
| Ligand Name: PD-0173955 | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with PD173955 | PDB:5IA3 | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [1] |
| PDB Sequence |
LKFTTEIHPS
611 CVTRQKVIGA621 GEFGEVYKGM631 LKKKEVPVAI645 KTLKAGYTEK655 QRVDFLGEAG 665 IMGQFSHHNI675 IRLEGVISKY685 KPMMIITEYM695 ENGALDKFLR705 EKDGEFSVLQ 715 LVGMLRGIAA725 GMKYLANMNY735 VHRDLAARNI745 LVNSNLVCKV755 SDFGLSRIPI 781 RWTAPEAISY791 RKFTSASDVW801 SFGIVMWEVM811 TYGERPYWEL821 SNHEVMKAIN 831 DGFRLPTPMD841 CPSAIYQLMM851 QCWQQERARR861 PKFADIVSIL871 DKLIRAPDSL 881 KTLADFDPRV891 SIRLP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P17 or .P172 or .P173 or :3P17;style chemicals stick;color identity;select .A:619 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:699 or .A:702 or .A:746 or .A:756 or .A:757; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.867
VAL627
3.744
ALA644
3.360
ILE645
3.671
LYS646
3.542
GLU663
3.343
MET667
4.057
ILE676
4.201
ILE690
3.859
THR692
3.365
GLU693
3.430
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|||||
| Ligand Name: Biotin | Ligand Info | |||||
| Structure Description | EphA2 LBD in complex with YSA-GSGSK-bio peptide | PDB:6NJZ | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [2] |
| PDB Sequence |
GEVVLLDFAA
36 AGGELGWLTH46 PYGKGWDLMQ56 NIMNDMPIYM66 YSVCNVMSGD76 QDNWLRTNWV 86 YRGEAERIFI96 ELKFTVRDCN106 SFPGGASSCK116 ETFNLYYAES126 DLDYGTNFQK 136 RLFTKIDTIA146 PDEITVSSDF156 EARHVKLNVE166 ERSVGPLTRK176 GFYLAFQDIG 186 ACVALLSVRV196 YYKKAHHHH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BTN or .BTN2 or .BTN3 or :3BTN;style chemicals stick;color identity;select .A:44 or .A:45 or .A:48 or .A:132; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL13 | PDB:6Q7D | ||||
| Method | X-ray diffraction | Resolution | 0.98 Å | Mutation | No | [4] |
| PDB Sequence |
AVLKFTTEIH
609 PSCVTRQKVI619 GAGEFGEVYK629 GMLKTKEVPV643 AIKTLKAGYT653 EKQRVDFLGE 663 AGIMGQFSHH673 NIIRLEGVIS683 KYKPMMIITE693 YMENGALDKF703 LREKDGEFSV 713 LQLVGMLRGI723 AAGMKYLANM733 NYVHRDLAAR743 NILVNSNLVC753 KVSDFGLIPI 781 RWTAPEAISY791 RKFTSASDVW801 SFGIVMWEVM811 TYGERPYWEL821 SNHEVMKAIN 831 DGFRLPTPMD841 CPSAIYQLMM851 QCWQQERARR861 PKFADIVSIL871 DKLIRAPDSL 881 KTLADFDPRV891 SIRLP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HOT or .HOT2 or .HOT3 or :3HOT;style chemicals stick;color identity;select .A:619 or .A:620 or .A:621 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:666 or .A:667 or .A:670 or .A:675 or .A:676 or .A:690 or .A:692 or .A:693 or .A:694 or .A:695 or .A:698 or .A:730 or .A:735 or .A:737 or .A:746 or .A:755 or .A:756 or .A:757 or .A:758; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.485
GLY620
3.327
ALA621
3.691
VAL627
3.656
ALA644
3.251
ILE645
4.075
LYS646
3.756
GLU663
2.894
ILE666
3.867
MET667
3.373
PHE670
3.646
ILE675
3.448
ILE676
3.622
ILE690
3.775
|
|||||
| Ligand Name: 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL09 | PDB:6Q7B | ||||
| Method | X-ray diffraction | Resolution | 1.01 Å | Mutation | No | [5] |
| PDB Sequence |
QAVLKFTTEI
608 HPSCVTRQKV618 IGAGEFGEVY628 KGMLKTKEVP642 VAIKTLKAGY652 TEKQRVDFLG 662 EAGIMGQFSH672 HNIIRLEGVI682 SKYKPMMIIT692 EYMENGALDK702 FLREKDGEFS 712 VLQLVGMLRG722 IAAGMKYLAN732 MNYVHRDLAA742 RNILVNSNLV752 CKVSDFGLSG 777 KIPIRWTAPE787 AISYRKFTSA797 SDVWSFGIVM807 WEVMTYGERP817 YWELSNHEVM 827 KAINDGFRLP837 TPMDCPSAIY847 QLMMQCWQQE857 RARRPKFADI867 VSILDKLIRA 877 PDSLKTLADF887 DPRVSIRLP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HO5 or .HO52 or .HO53 or :3HO5;style chemicals stick;color identity;select .A:619 or .A:620 or .A:621 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:666 or .A:667 or .A:670 or .A:675 or .A:676 or .A:690 or .A:692 or .A:693 or .A:694 or .A:695 or .A:698 or .A:730 or .A:735 or .A:737 or .A:743 or .A:746 or .A:755 or .A:756 or .A:757 or .A:758; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.804
GLY620
4.003
ALA621
4.459
VAL627
3.927
ALA644
3.210
ILE645
4.011
LYS646
3.737
GLU663
2.878
ILE666
4.063
MET667
3.400
PHE670
3.686
ILE675
3.420
ILE676
3.645
ILE690
3.762
|
|||||
| Ligand Name: NVP-BHG712 isomer | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with an isomer of NVP-BHG712 | PDB:6FNG | ||||
| Method | X-ray diffraction | Resolution | 1.04 Å | Mutation | No | [6] |
| PDB Sequence |
QAVLKFTTEI
608 HPSCVTRQKV618 IGAGEFGEVY628 KGMLKKEVPV643 AIKTLKAGYT653 EKQRVDFLGE 663 AGIMGQFSHH673 NIIRLEGVIS683 KYKPMMIITE693 YMENGALDKF703 LREKDGEFSV 713 LQLVGMLRGI723 AAGMKYLANM733 NYVHRDLAAR743 NILVNSNLVC753 KVSDFGLKIP 780 IRWTAPEAIS790 YRKFTSASDV800 WSFGIVMWEV810 MTYGERPYWE820 LSNHEVMKAI 830 NDGFRLPTPM840 DCPSAIYQLM850 MQCWQQERAR860 RPKFADIVSI870 LDKLIRAPDS 880 LKTLADFDPR890 VSIRLPS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DWT or .DWT2 or .DWT3 or :3DWT;style chemicals stick;color identity;select .A:619 or .A:621 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:666 or .A:667 or .A:670 or .A:675 or .A:676 or .A:690 or .A:692 or .A:693 or .A:694 or .A:695 or .A:698 or .A:730 or .A:735 or .A:737 or .A:746 or .A:755 or .A:756 or .A:757 or .A:758; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
4.047
ALA621
3.898
VAL627
3.554
ALA644
3.192
ILE645
4.019
LYS646
3.667
GLU663
2.892
ILE666
4.228
MET667
3.402
PHE670
3.628
ILE675
3.460
ILE676
3.753
ILE690
3.705
|
|||||
| Ligand Name: 3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATHA01 | PDB:6Q7G | ||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [7] |
| PDB Sequence |
VLKFTTEIHP
610 SCVTRQKVIG620 AGEFGEVYKG630 MLKTKEVPVA644 IKTLKAGYTE654 KQRVDFLGEA 664 GIMGQFSHHN674 IIRLEGVISK684 YKPMMIITEY694 MENGALDKFL704 REKDGEFSVL 714 QLVGMLRGIA724 AGMKYLANMN734 YVHRDLAARN744 ILVNSNLVCK754 VSDFGLPIRW 783 TAPEAISYRK793 FTSASDVWSF803 GIVMWEVMTY813 GERPYWELSN823 HEVMKAINDG 833 FRLPTPMDCP843 SAIYQLMMQC853 WQQERARRPK863 FADIVSILDK873 LIRAPDSLKT 883 LADFDPRVSI893 RLP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HO8 or .HO82 or .HO83 or :3HO8;style chemicals stick;color identity;select .A:619 or .A:620 or .A:621 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:666 or .A:667 or .A:670 or .A:675 or .A:676 or .A:690 or .A:692 or .A:693 or .A:694 or .A:695 or .A:698 or .A:730 or .A:735 or .A:737 or .A:746 or .A:755 or .A:756 or .A:757 or .A:758; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.351
GLY620
3.844
ALA621
4.172
VAL627
3.634
ALA644
3.231
ILE645
4.057
LYS646
3.760
GLU663
2.862
ILE666
3.905
MET667
3.401
PHE670
3.633
ILE675
3.472
ILE676
3.603
ILE690
3.862
|
|||||
| Ligand Name: 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL11 | PDB:6Q7C | ||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [8] |
| PDB Sequence |
QAVLKFTTEI
608 HPSCVTRQKV618 IGAFGEVYKG630 MLKTKEVPVA644 IKTLKAGYTE654 KQRVDFLGEA 664 GIMGQFSHHN674 IIRLEGVISK684 YKPMMIITEY694 MENGALDKFL704 REKDGEFSVL 714 QLVGMLRGIA724 AGMKYLANMN734 YVHRDLAARN744 ILVNSNLVCK754 VSDFGLSGKI 779 PIRWTAPEAI789 SYRKFTSASD799 VWSFGIVMWE809 VMTYGERPYW819 ELSNHEVMKA 829 INDGFRLPTP839 MDCPSAIYQL849 MMQCWQQERA859 RRPKFADIVS869 ILDKLIRAPD 879 SLKTLADFDP889 RVSIRLP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HOK or .HOK2 or .HOK3 or :3HOK;style chemicals stick;color identity;select .A:619 or .A:620 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:666 or .A:667 or .A:670 or .A:675 or .A:676 or .A:690 or .A:692 or .A:693 or .A:694 or .A:695 or .A:698 or .A:730 or .A:735 or .A:737 or .A:746 or .A:755 or .A:756 or .A:757 or .A:758; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.253
GLY620
3.916
VAL627
3.803
ALA644
3.264
ILE645
3.934
LYS646
3.724
GLU663
2.890
ILE666
4.174
MET667
3.370
PHE670
3.601
ILE675
3.382
ILE676
3.686
ILE690
3.775
|
|||||
| Ligand Name: 3-[[4-imidazol-1-yl-6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL14 | PDB:6Q7E | ||||
| Method | X-ray diffraction | Resolution | 1.06 Å | Mutation | No | [9] |
| PDB Sequence |
VLKFTTEIHP
610 SCVTRQKVIG620 AGEFGEVYKG630 MLKTEVPVAI645 KTLKAGYTEK655 QRVDFLGEAG 665 IMGQFSHHNI675 IRLEGVISKY685 KPMMIITEYM695 ENGALDKFLR705 EKDGEFSVLQ 715 LVGMLRGIAA725 GMKYLANMNY735 VHRDLAARNI745 LVNSNLVCKV755 SDFGLPIRWT 784 APEAISYRKF794 TSASDVWSFG804 IVMWEVMTYG814 ERPYWELSNH824 EVMKAINDGF 834 RLPTPMDCPS844 AIYQLMMQCW854 QQERARRPKF864 ADIVSILDKL874 IRAPDSLKTL 884 ADFDPRVSIR894 LP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HMW or .HMW2 or .HMW3 or :3HMW;style chemicals stick;color identity;select .A:619 or .A:620 or .A:621 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:666 or .A:667 or .A:670 or .A:675 or .A:676 or .A:690 or .A:692 or .A:693 or .A:694 or .A:695 or .A:698 or .A:730 or .A:735 or .A:737 or .A:746 or .A:755 or .A:756 or .A:757 or .A:758; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.306
GLY620
3.710
ALA621
4.265
VAL627
3.899
ALA644
3.203
ILE645
4.084
LYS646
3.754
GLU663
2.874
ILE666
4.266
MET667
3.378
PHE670
3.733
ILE675
3.429
ILE676
3.532
ILE690
3.772
|
|||||
| Ligand Name: N-(2-chloro-6-methylphenyl)-2-[3-(piperidin-4-ylcarbamoyl)-5-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3b | PDB:5NKF | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [10] |
| PDB Sequence |
TTEIHPSCVT
614 RQKVIGAGEF624 GEVYKGMLKT634 SGKKEVPVAI645 KTLKAGYTEK655 QRVDFLGEAG 665 IMGQFSHHNI675 IRLEGVISKY685 KPMMIITEYM695 ENGALDKFLR705 EKDGEFSVLQ 715 LVGMLRGIAA725 GMKYLANMNY735 VHRDLAARNI745 LVNSNLVCKV755 SDFGLSRVLE 765 DDPEATYTTS775 GGKIPIRWTA785 PEAISYRKFT795 SASDVWSFGI805 VMWEVMTYGE 815 RPYWELSNHE825 VMKAINDGFR835 LPTPMDCPSA845 IYQLMMQCWQ855 QERARRPKFA 865 DIVSILDKLI875 RAPDSLKTLA885 DFDPRVSIRL895 P
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8ZN or .8ZN2 or .8ZN3 or :38ZN;style chemicals stick;color identity;select .A:619 or .A:620 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:691 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:699 or .A:706 or .A:746 or .A:756 or .A:757; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.453
GLY620
4.820
VAL627
3.958
ALA644
3.344
ILE645
3.705
LYS646
3.602
GLU663
3.441
MET667
3.898
ILE676
4.060
ILE690
3.525
ILE691
4.809
THR692
2.927
|
|||||
| Ligand Name: N-(2-chloro-6-methylphenyl)-2-[3-ethyl-5-(piperidin-4-ylcarbamoyl)anilino]-1,3-thiazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3d | PDB:5NKG | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [10] |
| PDB Sequence |
TTEIHPSCVT
614 RQKVIGAGEF624 GEVYKGMLKT634 SSGKKEVPVA644 IKTLKAGYTE654 KQRVDFLGEA 664 GIMGQFSHHN674 IIRLEGVISK684 YKPMMIITEY694 MENGALDKFL704 REKDGEFSVL 714 QLVGMLRGIA724 AGMKYLANMN734 YVHRDLAARN744 ILVNSNLVCK754 VSDFGLSRVL 764 EDDPEATYTT774 SGGKIPIRWT784 APEAISYRKF794 TSASDVWSFG804 IVMWEVMTYG 814 ERPYWELSNH824 EVMKAINDGF834 RLPTPMDCPS844 AIYQLMMQCW854 QQERARRPKF 864 ADIVSILDKL874 IRAPDSLKTL884 ADFDPRVSIR894 LP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8ZK or .8ZK2 or .8ZK3 or :38ZK;style chemicals stick;color identity;select .A:619 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:691 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:699 or .A:706 or .A:746 or .A:756 or .A:757; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.118
VAL627
3.989
ALA644
3.355
ILE645
3.833
LYS646
3.670
GLU663
3.476
MET667
4.003
ILE676
4.165
ILE690
3.505
ILE691
4.735
THR692
2.891
|
|||||
| Ligand Name: 4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT050 | PDB:6HES | ||||
| Method | X-ray diffraction | Resolution | 1.13 Å | Mutation | No | [11] |
| PDB Sequence |
QAVLKFTTEI
608 HPSCVTRQKV618 IGAGEFGEVY628 KGMLKKEVPV643 AIKTLKAGYT653 EKQRVDFLGE 663 AGIMGQFSHH673 NIIRLEGVIS683 KYKPMMIITE693 YMENGALDKF703 LREKDGEFSV 713 LQLVGMLRGI723 AAGMKYLANM733 NYVHRDLAAR743 NILVNSNLVC753 KVSDFGLSPI 781 RWTAPEAISY791 RKFTSASDVW801 SFGIVMWEVM811 TYGERPYWEL821 SNHEVMKAIN 831 DGFRLPTPMD841 CPSAIYQLMM851 QCWQQERARR861 PKFADIVSIL871 DKLIRAPDSL 881 KTLADFDPRV891 SIRLP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G0H or .G0H2 or .G0H3 or :3G0H;style chemicals stick;color identity;select .A:619 or .A:620 or .A:621 or .A:622 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:666 or .A:667 or .A:670 or .A:675 or .A:676 or .A:690 or .A:692 or .A:693 or .A:694 or .A:695 or .A:730 or .A:735 or .A:737 or .A:746 or .A:755 or .A:756 or .A:757 or .A:758; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
4.003
GLY620
3.860
ALA621
3.642
GLY622
4.895
VAL627
3.493
ALA644
3.298
ILE645
3.963
LYS646
3.755
GLU663
2.894
ILE666
4.244
MET667
3.378
PHE670
3.733
ILE675
3.647
ILE676
3.638
|
|||||
| Ligand Name: 3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL18 | PDB:6Q7F | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | No | [12] |
| PDB Sequence |
TTEIHPSCVT
614 RQKVIGAGEF624 GEVYKGMLKT634 EVPVAIKTLK649 AGYTEKQRVD659 FLGEAGIMGQ 669 FSHHNIIRLE679 GVISKYKPMM689 IITEYMENGA699 LDKFLREKDG709 EFSVLQLVGM 719 LRGIAAGMKY729 LANMNYVHRD739 LAARNILVNS749 NLVCKVSDFG759 PIRWTAPEAI 789 SYRKFTSASD799 VWSFGIVMWE809 VMTYGERPYW819 ELSNHEVMKA829 INDGFRLPTP 839 MDCPSAIYQL849 MMQCWQQERA859 RRPKFADIVS869 ILDKLIRAPD879 SLKTLADFDP 889 RVSIRLP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HNZ or .HNZ2 or .HNZ3 or :3HNZ;style chemicals stick;color identity;select .A:619 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:670 or .A:675 or .A:676 or .A:690 or .A:692 or .A:693 or .A:694 or .A:695 or .A:698 or .A:730 or .A:735 or .A:737 or .A:743 or .A:744 or .A:746 or .A:755 or .A:756 or .A:757 or .A:758; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
4.340
VAL627
4.585
ALA644
3.424
ILE645
4.091
LYS646
3.688
GLU663
2.920
MET667
3.391
PHE670
3.812
ILE675
3.549
ILE676
3.428
ILE690
3.683
THR692
2.986
GLU693
4.260
|
|||||
| Ligand Name: N-(3-chlorophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT055 | PDB:6HET | ||||
| Method | X-ray diffraction | Resolution | 1.21 Å | Mutation | No | [13] |
| PDB Sequence |
TTEIHPSCVT
614 RQKVIGAGEF624 GEVYKGMLKT634 EVPVAIKTLK649 AGYTEKQRVD659 FLGEAGIMGQ 669 FSHHNIIRLE679 GVISKYKPMM689 IITEYMENGA699 LDKFLREKDG709 EFSVLQLVGM 719 LRGIAAGMKY729 LANMNYVHRD739 LAARNILVNS749 NLVCKVSDFG759 LPIRWTAPEA 788 ISYRKFTSAS798 DVWSFGIVMW808 EVMTYGERPY818 WELSNHEVMK828 AINDGFRLPT 838 PMDCPSAIYQ848 LMMQCWQQER858 ARRPKFADIV868 SILDKLIRAP878 DSLKTLADFD 888 PRVSIRLP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G0Q or .G0Q2 or .G0Q3 or :3G0Q;style chemicals stick;color identity;select .A:619 or .A:620 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:670 or .A:675 or .A:676 or .A:690 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:698 or .A:730 or .A:735 or .A:737 or .A:746 or .A:755 or .A:756 or .A:757 or .A:758; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.762
GLY620
4.667
VAL627
3.694
ALA644
3.292
ILE645
4.006
LYS646
3.755
GLU663
2.978
MET667
3.373
PHE670
4.434
ILE675
4.199
ILE676
3.666
ILE690
3.786
THR692
3.031
|
|||||
| Ligand Name: 4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT069 | PDB:6HEW | ||||
| Method | X-ray diffraction | Resolution | 1.27 Å | Mutation | No | [14] |
| PDB Sequence |
TTEIHPSCVT
614 RQKVIGAGEF624 GEVYKGMLKK639 EVPVAIKTLK649 AGYTEKQRVD659 FLGEAGIMGQ 669 FSHHNIIRLE679 GVISKYKPMM689 IITEYMENGA699 LDKFLREKDG709 EFSVLQLVGM 719 LRGIAAGMKY729 LANMNYVHRD739 LAARNILVNS749 NLVCKVSDFG759 LSGKIPIRWT 784 APEAISYRKF794 TSASDVWSFG804 IVMWEVMTYG814 ERPYWELSNH824 EVMKAINDGF 834 RLPTPMDCPS844 AIYQLMMQCW854 QQERARRPKF864 ADIVSILDKL874 IRAPDSLKTL 884 ADFDPRVSIR894 LP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G0E or .G0E2 or .G0E3 or :3G0E;style chemicals stick;color identity;select .A:619 or .A:620 or .A:621 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:666 or .A:667 or .A:670 or .A:675 or .A:676 or .A:690 or .A:692 or .A:693 or .A:694 or .A:695 or .A:698 or .A:730 or .A:735 or .A:737 or .A:746 or .A:755 or .A:756 or .A:757 or .A:758; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.993
GLY620
4.214
ALA621
4.566
VAL627
3.618
ALA644
3.287
ILE645
4.009
LYS646
3.894
GLU663
2.857
ILE666
3.832
MET667
3.454
PHE670
3.780
ILE675
3.633
ILE676
3.439
ILE690
3.835
|
|||||
| Ligand Name: 4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT061 | PDB:6HEV | ||||
| Method | X-ray diffraction | Resolution | 1.28 Å | Mutation | No | [15] |
| PDB Sequence |
AVLKFTTEIH
609 PSCVTRQKVI619 GAGEFGEVYK629 GMLKKEVPVA644 IKTLKAGYTE654 KQRVDFLGEA 664 GIMGQFSHHN674 IIRLEGVISK684 YKPMMIITEY694 MENGALDKFL704 REKDGEFSVL 714 QLVGMLRGIA724 AGMKYLANMN734 YVHRDLAARN744 ILVNSNLVCK754 VSDFGLSIPI 781 RWTAPEAISY791 RKFTSASDVW801 SFGIVMWEVM811 TYGERPYWEL821 SNHEVMKAIN 831 DGFRLPTPMD841 CPSAIYQLMM851 QCWQQERARR861 PKFADIVSIL871 DKLIRAPDSL 881 KTLADFDPRV891 SIRLP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G0K or .G0K2 or .G0K3 or :3G0K;style chemicals stick;color identity;select .A:619 or .A:620 or .A:621 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:666 or .A:667 or .A:670 or .A:675 or .A:676 or .A:690 or .A:692 or .A:693 or .A:694 or .A:695 or .A:698 or .A:730 or .A:735 or .A:737 or .A:746 or .A:755 or .A:756 or .A:757 or .A:758 or .A:760; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
4.043
GLY620
4.852
ALA621
4.979
VAL627
3.633
ALA644
3.257
ILE645
4.059
LYS646
3.698
GLU663
2.802
ILE666
3.875
MET667
3.393
PHE670
3.764
ILE675
3.492
ILE676
3.698
ILE690
3.682
|
|||||
| Ligand Name: 2-[[3-(2-Aminophenyl)-5-(Piperidin-4-Ylcarbamoyl)phenyl]amino]-~{n}-(2-Chloranyl-6-Methyl-Phenyl)-1,3-Thiazole-5-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3e | PDB:5NKH | ||||
| Method | X-ray diffraction | Resolution | 1.29 Å | Mutation | No | [10] |
| PDB Sequence |
VLKFTTEIHP
610 SCVTRQKVIG620 AGEFGEVYKG630 MLKTSSGKKE640 VPVAIKTLKA650 GYTEKQRVDF 660 LGEAGIMGQF670 SHHNIIRLEG680 VISKYKPMMI690 ITEYMENGAL700 DKFLREKDGE 710 FSVLQLVGML720 RGIAAGMKYL730 ANMNYVHRDL740 AARNILVNSN750 LVCKVSDFGL 760 SRVLEDDPEA770 TYTTSGGKIP780 IRWTAPEAIS790 YRKFTSASDV800 WSFGIVMWEV 810 MTYGERPYWE820 LSNHEVMKAI830 NDGFRLPTPM840 DCPSAIYQLM850 MQCWQQERAR 860 RPKFADIVSI870 LDKLIRAPDS880 LKTLADFDPR890 VSIRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8ZQ or .8ZQ2 or .8ZQ3 or :38ZQ;style chemicals stick;color identity;select .A:617 or .A:619 or .A:620 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:691 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:706 or .A:746 or .A:756; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS617
4.769
ILE619
3.724
GLY620
3.625
VAL627
4.279
ALA644
3.352
ILE645
3.868
LYS646
3.627
GLU663
3.799
MET667
4.045
ILE676
4.332
ILE690
3.492
|
|||||
| Ligand Name: 2-[[3-[(3-Aminophenyl)carbamoyl]phenyl]amino]-~{n}-(2-Chloranyl-6-Methyl-Phenyl)-1,3-Thiazole-5-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1m | PDB:5NK5 | ||||
| Method | X-ray diffraction | Resolution | 1.33 Å | Mutation | No | [10] |
| PDB Sequence |
TTEIHPSCVT
614 RQKVIGFGEV627 YKGMLKTSSG637 KKEVPVAIKT647 LKAGYTEKQR657 VDFLGEAGIM 667 GQFSHHNIIR677 LEGVISKYKP687 MMIITEYMEN697 GALDKFLREK707 DGEFSVLQLV 717 GMLRGIAAGM727 KYLANMNYVH737 RDLAARNILV747 NSNLVCKVSD757 FGLSRVLEDD 767 PEATYTTGGK778 IPIRWTAPEA788 ISYRKFTSAS798 DVWSFGIVMW808 EVMTYGERPY 818 WELSNHEVMK828 AINDGFRLPT838 PMDCPSAIYQ848 LMMQCWQQER858 ARRPKFADIV 868 SILDKLIRAP878 DSLKTLADFD888 PVSIRLP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .90K or .90K2 or .90K3 or :390K;style chemicals stick;color identity;select .A:619 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:691 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:699 or .A:703 or .A:706 or .A:746 or .A:756 or .A:757; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.847
VAL627
4.080
ALA644
3.307
ILE645
3.839
LYS646
3.662
GLU663
3.825
MET667
4.063
ILE676
4.469
ILE690
3.527
ILE691
4.779
THR692
2.997
GLU693
3.580
|
|||||
| Ligand Name: 3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATNK002 | PDB:6HEY | ||||
| Method | X-ray diffraction | Resolution | 1.37 Å | Mutation | No | [16] |
| PDB Sequence |
AVLKFTTEIH
609 PSCVTRQKVI619 GAGEFGEVYK629 GMLKTSEVPV643 AIKTLKAGYT653 EKQRVDFLGE 663 AGIMGQFSHH673 NIIRLEGVIS683 KYKPMMIITE693 YMENGALDKF703 LREKDGEFSV 713 LQLVGMLRGI723 AAGMKYLANM733 NYVHRDLAAR743 NILVNSNLVC753 KVSDFGLSKI 779 PIRWTAPEAI789 SYRKFTSASD799 VWSFGIVMWE809 VMTYGERPYW819 ELSNHEVMKA 829 INDGFRLPTP839 MDCPSAIYQL849 MMQCWQQERA859 RRPKFADIVS869 ILDKLIRAPD 879 SLKTLADFDP889 RVSIRLP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FZW or .FZW2 or .FZW3 or :3FZW;style chemicals stick;color identity;select .A:619 or .A:620 or .A:621 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:670 or .A:675 or .A:676 or .A:690 or .A:692 or .A:693 or .A:694 or .A:695 or .A:698 or .A:730 or .A:735 or .A:737 or .A:746 or .A:755 or .A:756 or .A:757 or .A:758; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
4.049
GLY620
4.010
ALA621
3.841
VAL627
3.539
ALA644
3.193
ILE645
4.030
LYS646
3.680
GLU663
2.818
MET667
3.399
PHE670
3.627
ILE675
3.444
ILE676
3.616
ILE690
3.724
|
|||||
| Ligand Name: 1-Methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with a pyrazolo[3,4-d]pyrimidine fragment of NVP-BHG712 | PDB:6FNH | ||||
| Method | X-ray diffraction | Resolution | 1.38 Å | Mutation | No | [6] |
| PDB Sequence |
LKFTTEIHPS
611 CVTRQKVIGA621 GEFGEVYKGM631 LKTSGKKEVP642 VAIKTLKAGY652 TEKQRVDFLG 662 EAGIMGQFSH672 HNIIRLEGVI682 SKYKPMMIIT692 EYMENGALDK702 FLREKDGEFS 712 VLQLVGMLRG722 IAAGMKYLAN732 MNYVHRDLAA742 RNILVNSNLV752 CKVSDFGLSR 762 VLEDGKIPIR782 WTAPEAISYR792 KFTSASDVWS802 FGIVMWEVMT812 YGERPYWELS 822 NHEVMKAIND832 GFRLPTPMDC842 PSAIYQLMMQ852 CWQQERARRP862 KFADIVSILD 872 KLIRAPDSLK882 TLADFDP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DXK or .DXK2 or .DXK3 or :3DXK;style chemicals stick;color identity;select .A:619 or .A:620 or .A:621 or .A:622 or .A:627 or .A:644 or .A:646 or .A:676 or .A:692 or .A:693 or .A:694 or .A:695 or .A:698 or .A:746; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[[3-[[5-[(2-Chloranyl-6-Methyl-Phenyl)carbamoyl]-1,3-Thiazol-2-Yl]amino]phenyl]carbonylamino]cyclohexane-1-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2g | PDB:5NKA | ||||
| Method | X-ray diffraction | Resolution | 1.38 Å | Mutation | No | [10] |
| PDB Sequence |
TTEIHPSCVT
614 RQKVIGAGEF624 GEVYKGMLKT634 SSGKKEVPVA644 IKTLKAGYTE654 KQRVDFLGEA 664 GIMGQFSHHN674 IIRLEGVISK684 YKPMMIITEY694 MENGALDKFL704 REKDGEFSVL 714 QLVGMLRGIA724 AGMKYLANMN734 YVHRDLAARN744 ILVNSNLVCK754 VSDFGKIPIR 782 WTAPEAISYR792 KFTSASDVWS802 FGIVMWEVMT812 YGERPYWELS822 NHEVMKAIND 832 GFRLPTPMDC842 PSAIYQLMMQ852 CWQQERARRP862 KFADIVSILD872 KLIRAPDSLK 882 TLADFDVSIR894 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .91H or .91H2 or .91H3 or :391H;style chemicals stick;color identity;select .A:617 or .A:618 or .A:619 or .A:627 or .A:629 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:691 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:698 or .A:699 or .A:746 or .A:756 or .A:757; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS617
3.474
VAL618
4.950
ILE619
3.699
VAL627
3.964
LYS629
4.590
ALA644
3.281
ILE645
3.723
LYS646
3.596
GLU663
3.455
MET667
4.202
ILE676
4.713
ILE690
3.487
|
|||||
| Ligand Name: 2-[[3-Bromanyl-5-(Piperidin-4-Ylcarbamoyl)phenyl]amino]-~{n}-(2-Chloranyl-6-Methyl-Phenyl)-1,3-Thiazole-5-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3a | PDB:5NKE | ||||
| Method | X-ray diffraction | Resolution | 1.39 Å | Mutation | No | [10] |
| PDB Sequence |
TTEIHPSCVT
614 RQKVIGAGEF624 GEVYKGMLKT634 SSGKKEVPVA644 IKTLKAGYTE654 KQRVDFLGEA 664 GIMGQFSHHN674 IIRLEGVISK684 YKPMMIITEY694 MENGALDKFL704 REKDGEFSVL 714 QLVGMLRGIA724 AGMKYLANMN734 YVHRDLAARN744 ILVNSNLVCK754 VSDFGLSRVL 764 EDDPEATYTT774 SGGKIPIRWT784 APEAISYRKF794 TSASDVWSFG804 IVMWEVMTYG 814 ERPYWELSNH824 EVMKAINDGF834 RLPTPMDCPS844 AIYQLMMQCW854 QQERARRPKF 864 ADIVSILDKL874 IRAPDSLKTL884 ADFDPRVSIR894 LP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .90B or .90B2 or .90B3 or :390B;style chemicals stick;color identity;select .A:619 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:691 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:706 or .A:746 or .A:756 or .A:757; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.613
VAL627
4.198
ALA644
3.359
ILE645
3.854
LYS646
3.647
GLU663
3.750
MET667
4.061
ILE676
4.430
ILE690
3.496
ILE691
4.726
THR692
2.973
|
|||||
| Ligand Name: 2-[(3~{r})-1-[3-[[5-[(2-Chloranyl-6-Methyl-Phenyl)carbamoyl]-1,3-Thiazol-2-Yl]amino]phenyl]carbonylpyrrolidin-3-Yl]ethanoic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2i | PDB:5NKD | ||||
| Method | X-ray diffraction | Resolution | 1.41 Å | Mutation | No | [10] |
| PDB Sequence |
AVLKFTTEIH
609 PSCVTRQKVI619 GAGEFGEVYK629 GMLKEVPVAI645 KTLKAGYTEK655 QRVDFLGEAG 665 IMGQFSHHNI675 IRLEGVISKY685 KPMMIITEYM695 ENGALDKFLR705 EKDGEFSVLQ 715 LVGMLRGIAA725 GMKYLANMNY735 VHRDLAARNI745 LVNSNLVCKV755 SDFGLSRVLE 765 DDPEATYGKI779 PIRWTAPEAI789 SYRKFTSASD799 VWSFGIVMWE809 VMTYGERPYW 819 ELSNHEVMKA829 INDGFRLPTP839 MDCPSAIYQL849 MMQCWQQERA859 RRPKFADIVS 869 ILDKLIRAPD879 SLKTLADFDP889 RVSIRLP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .91K or .91K2 or .91K3 or :391K;style chemicals stick;color identity;select .A:617 or .A:619 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:691 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:699 or .A:746 or .A:756 or .A:757; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS617
2.712
ILE619
3.552
VAL627
3.937
ALA644
3.355
ILE645
3.826
LYS646
3.448
GLU663
3.339
MET667
3.899
ILE676
4.160
ILE690
3.578
ILE691
4.800
|
|||||
| Ligand Name: 4-methyl-3-[(1-methyl-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATMM006 | PDB:6HEX | ||||
| Method | X-ray diffraction | Resolution | 1.41 Å | Mutation | No | [17] |
| PDB Sequence |
TTEIHPSCVT
614 RQKVIGAGEF624 GEVYKGMLKK639 EVPVAIKTLK649 AGYTEKQRVD659 FLGEAGIMGQ 669 FSHHNIIRLE679 GVISKYKPMM689 IITEYMENGA699 LDKFLREKDG709 EFSVLQLVGM 719 LRGIAAGMKY729 LANMNYVHRD739 LAARNILVNS749 NLVCKVSDFG759 LPIRWTAPEA 788 ISYRKFTSAS798 DVWSFGIVMW808 EVMTYGERPY818 WELSNHEVMK828 AINDGFRLPT 838 PMDCPSAIYQ848 LMMQCWQQER858 ARRPKFADIV868 SILDKLIRAP878 DSLKTLADFD 888 PRVSIRLP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G02 or .G022 or .G023 or :3G02;style chemicals stick;color identity;select .A:619 or .A:620 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:666 or .A:667 or .A:670 or .A:675 or .A:676 or .A:690 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:698 or .A:730 or .A:735 or .A:737 or .A:746 or .A:755 or .A:756 or .A:757 or .A:758; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.774
GLY620
4.595
VAL627
3.716
ALA644
3.341
ILE645
4.069
LYS646
3.531
GLU663
2.864
ILE666
4.014
MET667
3.417
PHE670
3.779
ILE675
3.630
ILE676
3.673
ILE690
3.626
THR692
3.257
|
|||||
| Ligand Name: (3~{s})-1-[3-[[5-[(2-Chloranyl-6-Methyl-Phenyl)carbamoyl]-1,3-Thiazol-2-Yl]amino]phenyl]carbonylpyrrolidine-3-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2h | PDB:5NKC | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [10] |
| PDB Sequence |
VLKFTTEIHP
610 SCVTRQKVIG620 AGEFGEVYKG630 MLKKEVPVAI645 KTLKAGYTEK655 QRVDFLGEAG 665 IMGQFSHHNI675 IRLEGVISKY685 KPMMIITEYM695 ENGALDKFLR705 EKDGEFSVLQ 715 LVGMLRGIAA725 GMKYLANMNY735 VHRDLAARNI745 LVNSNLVCKV755 SDFGLSRVLE 765 DDPEATYKIP780 IRWTAPEAIS790 YRKFTSASDV800 WSFGIVMWEV810 MTYGERPYWE 820 LSNHEVMKAI830 NDGFRLPTPM840 DCPSAIYQLM850 MQCWQQERAR860 RPKFADIVSI 870 LDKLIRAPDS880 LKTLADFDPR890 VSIRLP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .90T or .90T2 or .90T3 or :390T;style chemicals stick;color identity;select .A:617 or .A:619 or .A:627 or .A:629 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:691 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:699 or .A:746 or .A:756 or .A:757; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS617
3.453
ILE619
3.481
VAL627
3.971
LYS629
3.914
ALA644
3.314
ILE645
3.622
LYS646
3.492
GLU663
3.370
MET667
3.707
ILE676
3.970
ILE690
3.506
ILE691
4.797
|
|||||
| Ligand Name: 2-[[3-[[(4~{r})-3,3-Bis(Fluoranyl)piperidin-4-Yl]carbamoyl]phenyl]amino]-~{n}-(2-Chloranyl-6-Methyl-Phenyl)-1,3-Thiazole-5-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2c | PDB:5NK4 | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [10] |
| PDB Sequence |
VLKFTTEIHP
610 SCVTRQKVIG620 AGEFGEVYKG630 MLKEVPVAIK646 TLKAGYTEKQ656 RVDFLGEAGI 666 MGQFSHHNII676 RLEGVISKYK686 PMMIITEYME696 NGALDKFLRE706 KDGEFSVLQL 716 VGMLRGIAAG726 MKYLANMNYV736 HRDLAARNIL746 VNSNLVCKVS756 DFGLSRVLED 766 DPEATYTTSG776 GKIPIRWTAP786 EAISYRKFTS796 ASDVWSFGIV806 MWEVMTYGER 816 PYWELSNHEV826 MKAINDGFRL836 PTPMDCPSAI846 YQLMMQCWQQ856 ERARRPKFAD 866 IVSILDKLIR876 APDSLKTLAD886 FDPRVSIRLP896
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .90E or .90E2 or .90E3 or :390E;style chemicals stick;color identity;select .A:619 or .A:620 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:691 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:698 or .A:699 or .A:746 or .A:756 or .A:757; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
2.993
GLY620
3.325
VAL627
3.985
ALA644
3.325
ILE645
3.791
LYS646
3.611
GLU663
3.559
MET667
3.945
ILE676
4.230
ILE690
3.652
ILE691
4.821
|
|||||
| Ligand Name: Phosphothiophosphoric acid-adenylate ester | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with AGS | PDB:5I9V | ||||
| Method | X-ray diffraction | Resolution | 1.46 Å | Mutation | No | [1] |
| PDB Sequence |
TTEIHPSCVT
614 RQKVIGAGEF624 GEVYKGMLKT634 SSGKKEVPVA644 IKTLKAGYTE654 KQRVDFLGEA 664 GIMGQFSHHN674 IIRLEGVISK684 YKPMMIITEY694 MENGALDKFL704 REKDGEFSVL 714 QLVGMLRGIA724 AGMKYLANMN734 YVHRDLAARN744 ILVNSNLVCK754 VSDFGLSRVL 764 KIPIRWTAPE787 AISYRKFTSA797 SDVWSFGIVM807 WEVMTYGERP817 YWELSNHEVM 827 KAINDGFRLP837 TPMDCPSAIY847 QLMMQCWQQE857 RARRPKFADI867 VSILDKLIRA 877 PDSLKTLADF887 DPRVSIRLP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AGS or .AGS2 or .AGS3 or :3AGS;style chemicals stick;color identity;select .A:619 or .A:620 or .A:621 or .A:622 or .A:623 or .A:624 or .A:627 or .A:644 or .A:646 or .A:676 or .A:692 or .A:693 or .A:694 or .A:695 or .A:698 or .A:699 or .A:743 or .A:744 or .A:746 or .A:756 or .A:757; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.494
GLY620
4.398
ALA621
3.648
GLY622
3.278
GLU623
3.172
PHE624
4.604
VAL627
3.519
ALA644
3.316
LYS646
3.242
ILE676
3.807
THR692
3.178
|
|||||
| Ligand Name: N-(2-chloro-6-methylphenyl)-2-(3,5-dimorpholin-4-ylanilino)-1,3-thiazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 4a | PDB:5NKB | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [10] |
| PDB Sequence |
TTEIHPSCVT
614 RQKVIGAGEF624 GEVYKGMLKK639 EVPVAIKTLK649 AGYTEKQRVD659 FLGEAGIMGQ 669 FSHHNIIRLE679 GVISKYKPMM689 IITEYMENGA699 LDKFLREKDG709 EFSVLQLVGM 719 LRGIAAGMKY729 LANMNYVHRD739 LAARNILVNS749 NLVCKVSDFG759 LSRVLEDDPE 769 ATYTTGKIPI781 RWTAPEAISY791 RKFTSASDVW801 SFGIVMWEVM811 TYGERPYWEL 821 SNHEVMKAIN831 DGFRLPTPMD841 CPSAIYQLMM851 QCWQQERARR861 PKFADIVSIL 871 DKLIRAPDSL881 KTLADFDPRV891 SIRLP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8ZT or .8ZT2 or .8ZT3 or :38ZT;style chemicals stick;color identity;select .A:619 or .A:620 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:691 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:699 or .A:746 or .A:756 or .A:757; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.135
GLY620
4.686
VAL627
4.182
ALA644
3.335
ILE645
3.869
LYS646
3.504
GLU663
3.382
MET667
3.802
ILE676
4.007
ILE690
3.487
ILE691
4.830
|
|||||
| Ligand Name: 2-[[3-[(4-Azanyl-6-Methyl-1,3,5-Triazin-2-Yl)carbamoyl]phenyl]amino]-~{n}-(2-Chloranyl-6-Methyl-Phenyl)-1,3-Thiazole-5-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1k | PDB:5NK1 | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [10] |
| PDB Sequence |
FTTEIHPSCV
613 TRQKVIGAGE623 FGEVYKGMLK633 KEVPVAIKTL648 KAGYTEKQRV658 DFLGEAGIMG 668 QFSHHNIIRL678 EGVISKYKPM688 MIITEYMENG698 ALDKFLREKD708 GEFSVLQLVG 718 MLRGIAAGMK728 YLANMNYVHR738 DLAARNILVN748 SNLVCKVSDF758 GLSRVLEDDP 768 EATYGKIPIR782 WTAPEAISYR792 KFTSASDVWS802 FGIVMWEVMT812 YGERPYWELS 822 NHEVMKAIND832 GFRLPTPMDC842 PSAIYQLMMQ852 CWQQERARRP862 KFADIVSILD 872 KLIRAPDSLK882 TLADFDPRVS892 IRLP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .90N or .90N2 or .90N3 or :390N;style chemicals stick;color identity;select .A:617 or .A:619 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:691 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:698 or .A:699 or .A:746 or .A:756 or .A:757; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS617
3.574
ILE619
3.849
VAL627
3.827
ALA644
3.297
ILE645
3.647
LYS646
3.536
GLU663
3.407
MET667
3.876
ILE676
4.101
ILE690
3.457
ILE691
4.767
|
|||||
| Ligand Name: 4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with NVP-BHG712 | PDB:6FNF | ||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | No | [6] |
| PDB Sequence |
TEIHPSCVTR
615 QKVIGAGEFG625 EVYKGMLKTK639 EVPVAIKTLK649 AGYTEKQRVD659 FLGEAGIMGQ 669 FSHHNIIRLE679 GVISKYKPMM689 IITEYMENGA699 LDKFLREKDG709 EFSVLQLVGM 719 LRGIAAGMKY729 LANMNYVHRD739 LAARNILVNS749 NLVCKVSDFG759 LSPIRWTAPE 787 AISYRKFTSA797 SDVWSFGIVM807 WEVMTYGERP817 YWELSNHEVM827 KAINDGFRLP 837 TPMDCPSAIY847 QLMMQCWQQE857 RARRPKFADI867 VSILDKLIRA877 PDSLKTLADF 887 DPRVSIR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DXH or .DXH2 or .DXH3 or :3DXH;style chemicals stick;color identity;select .A:619 or .A:620 or .A:621 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:666 or .A:667 or .A:670 or .A:675 or .A:676 or .A:690 or .A:692 or .A:693 or .A:694 or .A:695 or .A:698 or .A:730 or .A:735 or .A:737 or .A:746 or .A:755 or .A:756 or .A:757 or .A:758; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.843
GLY620
4.105
ALA621
4.170
VAL627
3.348
ALA644
3.362
ILE645
3.731
LYS646
3.682
GLU663
2.725
ILE666
4.478
MET667
3.253
PHE670
3.463
ILE675
3.618
ILE676
3.742
ILE690
3.768
|
|||||
| Ligand Name: N-(2-chloro-6-methylphenyl)-2-[3-[[(3S)-pyrrolidin-3-yl]carbamoyl]anilino]-1,3-thiazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1l | PDB:5NK3 | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [10] |
| PDB Sequence |
VLKFTTEIHP
610 SCVTRQKVIG620 AGEFGEVYKG630 MLKTKEVPVA644 IKTLKAGYTE654 KQRVDFLGEA 664 GIMGQFSHHN674 IIRLEGVISK684 YKPMMIITEY694 MENGALDKFL704 REKDGEFSVL 714 QLVGMLRGIA724 AGMKYLANMN734 YVHRDLAARN744 ILVNSNLVCK754 VSDFGLSRVL 764 EDDPEATYTG777 KIPIRWTAPE787 AISYRKFTSA797 SDVWSFGIVM807 WEVMTYGERP 817 YWELSNHEVM827 KAINDGFRLP837 TPMDCPSAIY847 QLMMQCWQQE857 RARRPKFADI 867 VSILDKLIRA877 PDSLKTLADF887 D
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .92Q or .92Q2 or .92Q3 or :392Q;style chemicals stick;color identity;select .A:619 or .A:620 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:691 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:698 or .A:699 or .A:702 or .A:746 or .A:756 or .A:757; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.484
GLY620
4.797
VAL627
3.598
ALA644
3.170
ILE645
3.616
LYS646
3.469
GLU663
3.884
MET667
3.572
ILE676
4.406
ILE690
3.291
ILE691
4.516
|
|||||
| Ligand Name: 2-[[3-[(3-Azanyl-2,2-Dimethyl-Propyl)carbamoyl]phenyl]amino]-~{n}-(2-Chloranyl-6-Methyl-Phenyl)-1,3-Thiazole-5-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1j | PDB:5NK0 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [10] |
| PDB Sequence |
LKFTTEIHPS
611 CVTRQKVIGA621 GEFGEVYKGM631 LKTSSGKKEV641 PVAIKTLKAG651 YTEKQRVDFL 661 GEAGIMGQFS671 HHNIIRLEGV681 ISKYKPMMII691 TEYMENGALD701 KFLREKDGEF 711 SVLQLVGMLR721 GIAAGMKYLA731 NMNYVHRDLA741 ARNILVNSNL751 VCKVSDFGLP 780 IRWTAPEAIS790 YRKFTSASDV800 WSFGIVMWEV810 MTYGERPYWE820 LSNHEVMKAI 830 NDGFRLPTPM840 DCPSAIYQLM850 MQCWQQERAR860 RPKFADIVSI870 LDKLIRAPDS 880 LKTLADFDPV891 SIR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .91E or .91E2 or .91E3 or :391E;style chemicals stick;color identity;select .A:617 or .A:619 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:691 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:699 or .A:702 or .A:706 or .A:746 or .A:756 or .A:757; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS617
3.892
ILE619
4.060
VAL627
4.172
ALA644
3.267
ILE645
3.987
LYS646
3.717
GLU663
3.558
MET667
4.010
ILE676
3.690
ILE690
3.533
ILE691
4.717
THR692
2.960
|
|||||
| Ligand Name: N-(2-chloro-6-methylphenyl)-2-[3-[[(3R,4R)-3-fluoropiperidin-4-yl]carbamoyl]anilino]-1,3-thiazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2b | PDB:5NK2 | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [10] |
| PDB Sequence |
NQAVLKFTTE
607 IHPSCVTRQK617 VIGAGEFGEV627 YKGMLKKEVP642 VAIKTLKAGY652 TEKQRVDFLG 662 EAGIMGQFSH672 HNIIRLEGVI682 SKYKPMMIIT692 EYMENGALDK702 FLREKDGEFS 712 VLQLVGMLRG722 IAAGMKYLAN732 MNYVHRDLAA742 RNILVNSNLV752 CKVSDFGLSR 762 VLEDDPEATY772 GKIPIRWTAP786 EAISYRKFTS796 ASDVWSFGIV806 MWEVMTYGER 816 PYWELSNHEV826 MKAINDGFRL836 PTPMDCPSAI846 YQLMMQCWQQ856 ERARRPKFAD 866 IVSILDKLIR876 APDSLKTLAD886 FDPRVSIRLP896
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8ZZ or .8ZZ2 or .8ZZ3 or :38ZZ;style chemicals stick;color identity;select .A:617 or .A:619 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:691 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:699 or .A:706 or .A:746 or .A:756 or .A:757; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS617
4.772
ILE619
3.786
VAL627
3.938
ALA644
3.317
ILE645
3.872
LYS646
3.444
GLU663
3.391
MET667
3.889
ILE676
4.169
ILE690
3.568
ILE691
4.769
THR692
2.942
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-(2-chloro-6-methylphenyl)-2-(3-methylsulfonyl-5-morpholin-4-ylanilino)-1,3-thiazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 4b | PDB:5NKI | ||||
| Method | X-ray diffraction | Resolution | 1.68 Å | Mutation | No | [10] |
| PDB Sequence |
FTTEIHPSCV
613 TRQKVIGAGE623 FGEVYKGMLK633 KEVPVAIKTL648 KAGYTEKQRV658 DFLGEAGIMG 668 QFSHHNIIRL678 EGVISKYKPM688 MIITEYMENG698 ALDKFLREKD708 GEFSVLQLVG 718 MLRGIAAGMK728 YLANMNYVHR738 DLAARNILVN748 SNLVCKVSDF758 GPIRWTAPEA 788 ISYRKFTSAS798 DVWSFGIVMW808 EVMTYGERPY818 WELSNHEVMK828 AINDGFRLPT 838 PMDCPSAIYQ848 LMMQCWQQER858 ARRPKFADIV868 SILDKLIRAP878 DSLKTLADFD 888 PRVSIRLP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8ZW or .8ZW2 or .8ZW3 or :38ZW;style chemicals stick;color identity;select .A:619 or .A:620 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:691 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:699 or .A:746 or .A:756 or .A:757; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.302
GLY620
4.145
VAL627
3.996
ALA644
3.270
ILE645
3.751
LYS646
3.637
GLU663
3.614
MET667
3.851
ILE676
4.107
ILE690
3.540
ILE691
4.845
|
|||||
| Ligand Name: N-(2-Chlorophenyl)-6-(4-piperidinyl)imidazo[1,2-a]pyridine-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with LDN-211904 | PDB:8BK0 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [18] |
| PDB Sequence |
TTEIHPSCVT
614 RQKVIGAGEF624 GEVYKGMLKE640 VPVAIKTLKA650 GYTEKQRVDF660 LGEAGIMGQF 670 SHHNIIRLEG680 VISKYKPMMI690 ITEYMENGAL700 DKFLREKDGE710 FSVLQLVGML 720 RGIAAGMKYL730 ANMNYVHRDL740 AARNILVNSN750 LVCKVSDFGL760 SRVLEDDIPI 781 RWTAPEAISY791 RKFTSASDVW801 SFGIVMWEVM811 TYGERPYWEL821 SNHEVMKAIN 831 DGFRLPTPMD841 CPSAIYQLMM851 QCWQQERARR861 PKFADIVSIL871 DKLIRAPDSL 881 KTLADF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QJI or .QJI2 or .QJI3 or :3QJI;style chemicals stick;color identity;select .A:619 or .A:620 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:691 or .A:692 or .A:693 or .A:694 or .A:695 or .A:698 or .A:699 or .A:746 or .A:756 or .A:757; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.439
GLY620
3.869
VAL627
4.253
ALA644
3.264
ILE645
3.745
LYS646
3.412
GLU663
3.438
MET667
3.768
ILE676
4.224
ILE690
3.549
|
|||||
| Ligand Name: 3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT058 | PDB:6HEU | ||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | No | [19] |
| PDB Sequence |
AVLKFTTEIH
609 PSCVTRQKVI619 GAGEFGEVYK629 GMLKTKEVPV643 AIKTLKAGYT653 EKQRVDFLGE 663 AGIMGQFSHH673 NIIRLEGVIS683 KYKPMMIITE693 YMENGALDKF703 LREKDGEFSV 713 LQLVGMLRGI723 AAGMKYLANM733 NYVHRDLAAR743 NILVNSNLVC753 KVSDFGLSPI 781 RWTAPEAISY791 RKFTSASDVW801 SFGIVMWEVM811 TYGERPYWEL821 SNHEVMKAIN 831 DGFRLPTPMD841 CPSAIYQLMM851 QCWQQERARR861 PKFADIVSIL871 DKLIRAPDSL 881 KTLADFDPRV891 SIRLP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G0N or .G0N2 or .G0N3 or :3G0N;style chemicals stick;color identity;select .A:619 or .A:620 or .A:621 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:666 or .A:667 or .A:670 or .A:675 or .A:676 or .A:690 or .A:692 or .A:694 or .A:695 or .A:698 or .A:730 or .A:735 or .A:737 or .A:746 or .A:755 or .A:756 or .A:757 or .A:758 or .A:760; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.902
GLY620
3.999
ALA621
3.728
VAL627
3.568
ALA644
3.350
ILE645
4.119
LYS646
3.789
GLU663
2.796
ILE666
4.083
MET667
3.371
PHE670
3.641
ILE675
3.412
ILE676
3.746
ILE690
3.787
|
|||||
| Ligand Name: N-(2-chloro-6-methylphenyl)-2-[3-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]anilino]-1,3-thiazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2f | PDB:5NK8 | ||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | No | [10] |
| PDB Sequence |
TTEIHPSCVT
614 RQKVIGGEVY628 KGMLKTSSGK638 KEVPVAIKTL648 KAGYTEKQRV658 DFLGEAGIMG 668 QFSHHNIIRL678 EGVISKYKPM688 MIITEYMENG698 ALDKFLREKD708 GEFSVLQLVG 718 MLRGIAAGMK728 YLANMNYVHR738 DLAARNILVN748 SNLVCKVSDF758 GPIRWTAPEA 788 ISYRKFTSAS798 DVWSFGIVMW808 EVMTYGERPY818 WELSNHEVMK828 AINDGFRLPT 838 PMDCPSAIYQ848 LMMQCWQQER858 ARRPKFADIV868 SILDKLIRAP878 DSLKTLADFD 888 PRVSIR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .90Z or .90Z2 or .90Z3 or :390Z;style chemicals stick;color identity;select .A:619 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:691 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:699 or .A:703 or .A:706 or .A:707 or .A:746 or .A:756 or .A:757; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
3.251
VAL627
4.034
ALA644
3.217
ILE645
3.930
LYS646
3.632
GLU663
3.608
MET667
4.046
ILE676
4.696
ILE690
3.509
ILE691
4.644
THR692
3.114
GLU693
3.687
|
|||||
| Ligand Name: N-(2-chloro-6-methylphenyl)-2-[3-(piperidin-4-ylcarbamoyl)anilino]-1,3-thiazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1g | PDB:5NJZ | ||||
| Method | X-ray diffraction | Resolution | 1.77 Å | Mutation | No | [10] |
| PDB Sequence |
FTTEIHPSCV
613 TRQKVIGAGE623 FGEVYKGMLK633 TKKEVPVAIK646 TLKAGYTEKQ656 RVDFLGEAGI 666 MGQFSHHNII676 RLEGVISKYK686 PMMIITEYME696 NGALDKFLRE706 KDGEFSVLQL 716 VGMLRGIAAG726 MKYLANMNYV736 HRDLAARNIL746 VNSNLVCKVS756 DFGLSIPIRW 783 TAPEAISYRK793 FTSASDVWSF803 GIVMWEVMTY813 GERPYWELSN823 HEVMKAINDG 833 FRLPTPMDCP843 SAIYQLMMQC853 WQQERARRPK863 FADIVSILDK873 LIRAPDSLKT 883 LADFDPRVSI893 RLP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8ZH or .8ZH2 or .8ZH3 or :38ZH;style chemicals stick;color identity;select .A:619 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:691 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:699 or .A:746 or .A:756 or .A:757; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE619
4.011
VAL627
3.867
ALA644
3.330
ILE645
3.787
LYS646
3.559
GLU663
3.360
MET667
3.867
ILE676
4.159
ILE690
3.488
ILE691
4.778
THR692
2.940
|
|||||
| Ligand Name: Hexahydro-1,3,5-tripropionyl-S-triazine | Ligand Info | |||||
| Structure Description | Bicycle Toxin Conjugate bound to EphA2 | PDB:6RW2 | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [20] |
| PDB Sequence |
KEVVLLDFAA
36 AGGELGWLTH46 PYGKGWDLMQ56 NIMNDMPIYM66 YSVCNVMSGD76 QDNWLRTNWV 86 YRGEAERIFI96 ELKFTVRDCN106 SFPGGASSCK116 ETFNLYYAES126 DLDYGTNFQK 136 RLFTKIDTIA146 PDEITVSSDF156 EARHVKLNVE166 ERSVGPLTRK176 GFYLAFQDIG 186 ACVALLSVRV196 YYKKC
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .29N or .29N2 or .29N3 or :329N;style chemicals stick;color identity;select .A:53 or .A:55 or .A:66 or .A:70; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(4-oxidanylcyclohexyl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2d | PDB:5NK6 | ||||
| Method | X-ray diffraction | Resolution | 1.27 Å | Mutation | No | [10] |
| PDB Sequence |
TTEIHPSCVT
614 RQKVIGAGEF624 GEVYKGMLKK639 EVPVAIKTLK649 AGYTEKQRVD659 FLGEAGIMGQ 669 FSHHNIIRLE679 GVISKYKPMM689 IITEYMENGA699 LDKFLREKDG709 EFSVLQLVGM 719 LRGIAAGMKY729 LANMNYVHRD739 LAARNILVNS749 NLVCKVSDFG759 LSRVLEDDPE 769 ATYGGKIPIR782 WTAPEAISYR792 KFTSASDVWS802 FGIVMWEVMT812 YGERPYWELS 822 NHEVMKAIND832 GFRLPTPMDC842 PSAIYQLMMQ852 CWQQERARRP862 KFADIVSILD 872 KLIRAPDSLK882 TLADFDPRVS892 IRLP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .90W or .90W2 or .90W3 or :390W;style chemicals stick;color identity;select .A:619 or .A:620 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:691 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:699 or .A:702 or .A:746 or .A:756 or .A:757; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE619
3.187
GLY620
4.328
VAL627
4.176
ALA644
3.357
ILE645
3.825
LYS646
3.670
GLU663
3.454
MET667
3.742
ILE676
3.716
ILE690
3.596
ILE691
4.936
THR692
2.759
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| Ligand Name: (2~{Z})-~{N}-(2-chloranyl-6-methyl-phenyl)-2-[3-[(4-methyl-4-oxidanyl-cyclohexyl)carbamoyl]phenyl]imino-1,3-thiazolidine-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2e | PDB:5NK9 | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [10] |
| PDB Sequence |
TTEIHPSCVT
614 RQKVIGAGEF624 GEVYKGMLKK639 EVPVAIKTLK649 AGYTEKQRVD659 FLGEAGIMGQ 669 FSHHNIIRLE679 GVISKYKPMM689 IITEYMENGA699 LDKFLREKDG709 EFSVLQLVGM 719 LRGIAAGMKY729 LANMNYVHRD739 LAARNILVNS749 NLVCKVSDFG759 LSRVLEDDPE 769 ATYTTGKIPI781 RWTAPEAISY791 RKFTSASDVW801 SFGIVMWEVM811 TYGERPYWEL 821 SNHEVMKAIN831 DGFRLPTPMD841 CPSAIYQLMM851 QCWQQERARR861 PKFADIVSIL 871 DKLIRAPDSL881 KTLADFDPRV891 SIRLP
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .912 or .9122 or .9123 or :3912;style chemicals stick;color identity;select .A:619 or .A:627 or .A:644 or .A:645 or .A:646 or .A:663 or .A:667 or .A:676 or .A:690 or .A:691 or .A:692 or .A:693 or .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:699 or .A:702 or .A:746 or .A:756 or .A:757; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE619
3.276
VAL627
4.018
ALA644
3.373
ILE645
3.714
LYS646
3.589
GLU663
3.425
MET667
3.956
ILE676
4.288
ILE690
3.605
ILE691
4.887
THR692
3.009
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem Biol. 2016 Dec 16;11(12):3400-3411. | ||||
| REF 2 | Engineering nanomolar peptide ligands that differentially modulate EphA2 receptor signaling. J Biol Chem. 2019 May 31;294(22):8791-8805. | ||||
| REF 3 | Regulation of the EphA2 receptor intracellular region by phosphomimetic negative charges in the kinase-SAM linker. Nat Commun. 2021 Dec 2;12(1):7047. | ||||
| REF 4 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity | ||||
| REF 5 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity | ||||
| REF 6 | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem. 2018 Aug 20;13(16):1629-1633. | ||||
| REF 7 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity | ||||
| REF 8 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity | ||||
| REF 9 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity | ||||
| REF 10 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem. 2017 Jun 21;12(12):999-1011. | ||||
| REF 11 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity | ||||
| REF 12 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity | ||||
| REF 13 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity | ||||
| REF 14 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity | ||||
| REF 15 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity | ||||
| REF 16 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity | ||||
| REF 17 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity | ||||
| REF 18 | Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with LDN-211904 | ||||
| REF 19 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity | ||||
| REF 20 | Identification and Optimization of EphA2-Selective Bicycles for the Delivery of Cytotoxic Payloads. J Med Chem. 2020 Apr 23;63(8):4107-4116. | ||||
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