Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T29083 | Target Info | |||
| Target Name | Proto-oncogene c-Fes (FES) | ||||
| Synonyms | p93c-fes; Tyrosine-protein kinase Fes/Fps; Proto-oncogene c-Fps; Feline sarcoma/Fujinami avian sarcoma oncogene homolog; FPS | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | FES | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Staurosporine | Ligand Info | |||||
| Structure Description | Crystal structure of human feline sarcoma viral oncogene homologue (v-FES) in complex with staurosporine and a consensus peptide | PDB:3CBL | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [1] |
| PDB Sequence |
SMIPEVQKPL
455 HEQLWYHGAI465 PRAEVAELLV475 HSGDFLVRES485 QQEYVLSVPR502 HFIINLYRLF 520 PSIPLLIDHL530 LSTQQPLVVL545 HRAVPKDKWV555 LNHEDLVLGE565 QIGRGNFGEV 575 FSGRLRADNT585 LVAVKSCRET595 LPPDLKAKFL605 QEARILKQYS615 HPNIVRLIGV 625 CTQKQPIYIV635 MELVQGGDFL645 TFLRTEGARL655 RVKTLLQMVG665 DAAAGMEYLE 675 SKCCIHRDLA685 ARNCLVTEKN695 VLKISDFGMS705 REEADGVYAA715 SGGLRQVPVK 725 WTAPEALNYG735 RYSSESDVWS745 FGILLWETFS755 LGASPYPNLS765 NQQTREFVEK 775 GGRLPCPELC785 PDAVFRLMEQ795 CWAYEPGQRP805 SFSTIYQELQ815 SIRKRH |
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HIS456
3.504
TRP554
3.950
LEU556
4.863
GLU559
3.398
ASP560
4.021
ILE567
3.517
GLY568
3.415
ARG569
3.388
GLY570
4.309
VAL575
3.924
LEU580
3.845
ARG581
3.675
ASP583
3.260
THR585
2.738
ALA588
3.212
LYS590
3.840
GLU607
3.481
SER615
4.767
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: NVP-TAE684 | Ligand Info | |||||
| Structure Description | Crystal structure of human Feline Sarcoma Viral Oncogene Homologue (v-FES)in complex with TAE684 | PDB:4E93 | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [2] |
| PDB Sequence |
SMIPEVQKPL
455 HEQLWYHGAI465 PRAEVAELLV475 HSGDFLVRES485 QQEYVLSVLW497 DGLPRHFIIQ 507 SLDNLYRLEG517 EGFPSIPLLI527 DHLLSTQQPL537 TKKSGVVLHR547 AVPKDKWVLN 557 HEDLVLGEQI567 GRGNFGEVFS577 GRLRADNTLV587 AVKSCRETLP597 PDLKAKFLQE 607 ARILKQYSHP617 NIVRLIGVCT627 QKQPIYIVME637 LVQGGDFLTF647 LRTEGARLRV 657 KTLLQMVGDA667 AAGMEYLESK677 CCIHRDLAAR687 NCLVTEKNVL697 KISDFGMSRE 707 VPVKWTAPEA731 LNYGRYSSES741 DVWSFGILLW751 ETFSLGASPY761 PNLSNQQTRE 771 FVEKGGRLPC781 PELCPDAVFR791 LMEQCWAYEP801 GQRPSFSTIY811 QELQSIRKRH 821 R
|
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ILE567
3.344
GLY568
4.267
ARG569
3.625
GLY570
3.483
ASN571
4.605
VAL575
3.654
ALA588
3.436
LYS590
2.803
VAL620
4.303
MET636
3.759
GLU637
3.328
|
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| Ligand Name: Phosphonotyrosine | Ligand Info | |||||
| Structure Description | Crystal structure of phosphorylated human feline sarcoma viral oncogene homologue (v-FES) in complex with staurosporine and a consensus peptide | PDB:3CD3 | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [1] |
| PDB Sequence |
SMIPEVQKPL
455 HEQLWYHGAI465 PRAEVAELLV475 HSGDFLVRES485 QEYVLSVPRH503 FIINLYRLFP 521 SIPLLIDHLL531 STQQPLSGVV544 LHRAVPKDKW554 VLNHEDLVLG564 EQIGRGNFGE 574 VFSGRLRADN584 TLVAVKSCRP598 DLKAKFLQEA608 RILKQYSHPN618 IVRLIGVCTQ 628 KQPIYIVMEL638 VQGGDFLTFL648 RTEGARLRVK658 TLLQMVGDAA668 AGMEYLESKC 678 CIHRDLAARN688 CLVTEKNVLK698 ISDFGMSREE708 ADGVAASGGL719 RQVPVKWTAP 729 EALNYGRYSS739 ESDVWSFGIL749 LWETFSLGAS759 PYPNLSNQQT769 REFVEKGGRL 779 PCPELCPDAV789 FRLMEQCWAY799 EPGQRPSFST809 IYQELQSIRK819 RH |
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:603 or .A:680 or .A:682 or .A:706 or .A:708 or .A:711 or .A:712 or .A:714 or .A:715 or .A:716 or .A:717 or .A:735 or .A:736 or .A:737 or .A:738; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human tyrosine-protein kinase Fes/Fps in complex with compound 4 | PDB:6JMF | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [3] |
| PDB Sequence |
EVQKPLHEQL
459 WYHGAIPRAE469 VAELLVHSGD479 FLVRESQGKQ489 EYVLSVLWDG499 LPRHFIIQSL 509 DNLYRLEGEG519 FPSIPLLIDH529 LLSTQQPLTK539 KSGVVLHRAV549 PKDKWVLNHE 559 DLVLGEQIGR569 GNFGEVFSGR579 LRADNTLVAV589 KSCRETLPPD599 LKAKFLQEAR 609 ILKQYSHPNI619 VRLIGVCTQK629 QPIYIVMELV639 QGGDFLTFLR649 TEGARLRVKT 659 LLQMVGDAAA669 GMEYLESKCC679 IHRDLAARNC689 LVTEKNVLKI699 SDFGMSREEA 709 DGVYAASGGL719 RQVPVKWTAP729 EALNYGRYSS739 ESDVWSFGIL749 LWETFSLGAS 759 PYPNLSNQQT769 REFVEKGGRL779 PCPELCPDAV789 FRLMEQCWAY799 EPGQRPSFST 809 IYQELQSIRK819 RH
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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 .9FC or .9FC2 or .9FC3 or :39FC;style chemicals stick;color identity;select .A:567 or .A:568 or .A:569 or .A:570 or .A:575 or .A:588 or .A:590 or .A:607 or .A:620 or .A:636 or .A:637 or .A:638 or .A:639 or .A:640 or .A:641 or .A:642 or .A:643 or .A:687 or .A:688 or .A:690 or .A:700 or .A:701; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE567
3.673
GLY568
4.302
ARG569
3.553
GLY570
4.711
VAL575
4.228
ALA588
3.375
LYS590
2.834
GLU607
3.726
VAL620
3.777
MET636
3.652
GLU637
2.805
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural coupling of SH2-kinase domains links Fes and Abl substrate recognition and kinase activation. Cell. 2008 Sep 5;134(5):793-803. | ||||
| REF 2 | Small-molecule inhibitors of the c-Fes protein-tyrosine kinase. Chem Biol. 2012 Apr 20;19(4):529-40. | ||||
| REF 3 | Discovery of Novel Pyrido-pyridazinone Derivatives as FER Tyrosine Kinase Inhibitors with Antitumor Activity. ACS Med Chem Lett. 2019 Mar 15;10(5):737-742. | ||||
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