Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T58454 | Target Info | |||
| Target Name | Fibroblast growth factor receptor 2 (FGFR2) | ||||
| Synonyms | Keratinocyte growth factor receptor 2; Keratinocyte growth factor receptor; KSAM; KGFR; K-sam; FGFR-2; FGF-2 receptor; CD332; BEK | ||||
| Target Type | Successful Target | ||||
| Gene Name | FGFR2 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphonotyrosine | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1CC(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 | ||||
| InChIKey | DCWXELXMIBXGTH-QMMMGPOBSA-N | ||||
| PubChem Compound ID | 30819 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6V6Q Crystal Structure of Monophosphorylated FGF Receptor 2 isoform IIIb with PTR657 | ||||||
| Method | X-ray diffraction | Resolution | 2.46 Å | Mutation | Yes | [1] |
| PDB Sequence |
FELPEDPKWE
475 FPRDKLTLGK485 PLGEGCFGQV495 VMAEAVGIDK505 DKPKEAVTVA515 VKMLKDDATE 525 KDLSDLVSEM535 EMMKMIGKHK545 NIINLLGACT555 QDGPLFVIVE565 FASKGNLREF 575 LRARRPPQMT599 FKDLVSCTFQ609 LARGMEFLAS619 QKCIHRDLAA629 RNVLVTENNV 639 MKIADFGLAR649 DINNIDFKKT660 TNGRLPVKWM670 APEALFDRVY680 THQSDVWSFG 690 VLMWEIFTLG700 GSPYPGIPVE710 ELFKLLKEGH720 RMDKPANCTN730 ELFMMMRDCW 740 HAVPSQRPTF750 KQLVEDLDRI760 LTLTT
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| PDB ID: 2PVF Crystal Structure of Tyrosine Phosphorylated Activated FGF Receptor 2 (FGFR2) Kinase Domain in Complex with ATP Analog and Substrate Peptide | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [2] |
| PDB Sequence |
ELPEDPKWEF
476 PRDKLTLGKP486 LGEGAFGQVV496 MAEAVGIDKD506 KPVTVAVKML519 KDDATEKDLS 529 DLVSEMEMMK539 MIGKHKNIIN549 LLGACTQDGP559 LYVIVEYASK569 GNLREYLRAR 579 RPPGMESYQM598 TFKDLVSCTY608 QLARGMEYLA618 SQKCIHRDLA628 ARNVLVTENN 638 VMKIADFGLA648 RDINNIDKKT660 TNGRLPVKWM670 APEALFDRVY680 THQSDVWSFG 690 VLMWEIFTLG700 GSPYPGIPVE710 ELFKLLKEGH720 RMDKPANCTN730 ELYMMMRDCW 740 HAVPSQRPTF750 KQLVEDLDRI760 LTLTT
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ARG573
4.967
ARG577
2.698
ARG580
3.731
MET584
3.420
GLU585
1.330
SER587
1.328
TYR588
4.811
ILE623
3.797
ARG625
3.342
ARG649
2.901
ILE651
3.805
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| PDB ID: 3CLY Crystal Structure of FGF Receptor 2 (FGFR2) Kinase Domains Trapped in Trans-Phosphorylation Reaction | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [3] |
| PDB Sequence |
LPEDPKWEFP
1477 RDKLTLGKPL1487 GEGAFGQVVM1497 AEAVGIDKDK1507 PKEAVTVAVK1517 MLKDDATEKD 1527 LSDLVSEMEM1537 MKMIGKHKNI1547 INLLGACTQD1557 GPLYVIVEYA1567 SKGNLREYLR 1577 ARREEQMTFK1601 DLVSCTYQLA1611 RGMEYLASQK1621 CIHRDLAARN1631 VLVTENNVMK 1641 IADFGLARDI1651 NNIDKKTTNG1663 RLPVKWMAPE1673 ALFDRVYTHQ1683 SDVWSFGVLM 1693 WEIFTLGGSP1703 YPGIPVEELF1713 KLLKEGHRMD1723 KPANCTNELY1733 MMMRDCWHAV 1743 PSQRPTFKQL1753 VEDLDRILTL1763 TTNEEYLDL
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| PDB ID: 5EG3 Crystal Structure of the Activated FGF Receptor 2 (FGFR2) Kinase Domain in complex with the cSH2 domain of Phospholipase C gamma (PLCgamma) | ||||||
| Method | X-ray diffraction | Resolution | 2.61 Å | Mutation | Yes | [4] |
| PDB Sequence |
FELPEDPKWE
475 FPRDKLTLGK485 PLGEGAFGQV495 VMAEAVGIDK505 DKPKEAVTVA515 VKMLKDDATE 525 KDLSDLVSEM535 EMMKMIGKHK545 NIINLLGACT555 QDGPLYVIVA565 YASKGNLREY 575 LRARRPPGNR592 VPEEQMTFKD602 LVSCTYQLAR612 GMEYLASQKC622 IHRDLAARNV 632 LVTENNVMKI642 ADFGLARDIN652 NIDFFKETTN662 GRLPVKWMAP672 EALFDRVYTH 682 QSDVWSFGVL692 MWEIFTLGGS702 PYPGIPVEEL712 FKLLKEGHRM722 DKPANCTNEL 732 YMMMRDCWHA742 VPSQRPTFKQ752 LVEDLDRILT762 LTTNEELDLS773 Q |
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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:766 or .A:767 or .A:768 or .A:770 or .A:771; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6LVK Crystal structure of FGFR2 in complex with 1,3,5-triazine derivative | ||||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | No | [5] |
| PDB Sequence |
LPEDPKWEFP
477 RDKLTLGKPL487 GEGCFGQVVM497 AEAVGIDKDK507 PKEAVTVAVK517 MLKDDATEKD 527 LSDLVSEMEM537 MKMIGKHKNI547 INLLGACTQD557 GPLVIVEYAS568 KGNLREYLRA 578 RRPPGEEQMT599 FKDLVSCTYQ609 LARGMEYLAS619 QKCIHRDLAA629 RNVLVTENNV 639 MKIADFGLAR649 DINNIDYYKK659 TTNGRLPVKW669 MAPEALFDRV679 YTHQSDVWSF 689 GVLMWEIFTL699 GGSPYPGIPV709 EELFKLLKEG719 HRMDKPANCT729 NELYMMMRDC 739 WHAVPSQRPT749 FKQLVEDLDR759 ILTLTTN
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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:478 or .A:481 or .A:483 or .A:516 or .A:517 or .A:518 or .A:552 or .A:553 or .A:554 or .A:559 or .A:560 or .A:562 or .A:563; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6AGX The cocrystal structure of FGFR2 bound with compound 14 harboring 5H-pyrrolo[2,3-b]pyrazine scaffold | ||||||
| Method | X-ray diffraction | Resolution | 2.95 Å | Mutation | Yes | [6] |
| PDB Sequence |
ELPEDPKWEF
476 PRDKLTLGKP486 LGEGCFGQVV496 MAEAVGIDKD506 KPKEAVTVAV516 KMLKDDATEK 526 DLSDLVSEME536 MMKMIGKHKN546 IINLLGACTQ556 DGPLYVIVEY566 ASKGNLREYL 576 RARRPINRVP594 EEQMTFKDLV604 SCTYQLARGM614 EYLASQKCIH624 RDLTARNVLV 634 TENNVMKIAD644 FGLARDIKKT660 TNGRLPVKWM670 APEALFDRVY680 THQSDVWSFG 690 VLMWEIFTLG700 GSPYPGIPVE710 ELFKLLKEGH720 RMDKPANCTN730 ELYMMMRDCW 740 HAVPSQRPTF750 KQLVEDLDRI760 LTLT
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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:623 or .A:625 or .A:649 or .A:650 or .A:651 or .A:658 or .A:659 or .A:660 or .A:678 or .A:679 or .A:680; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal Structure of Monophosphorylated FGF Receptor 2 isoform IIIb with PTR657 | ||||
| REF 2 | A molecular brake in the kinase hinge region regulates the activity of receptor tyrosine kinases. Mol Cell. 2007 Sep 7;27(5):717-30. | ||||
| REF 3 | A crystallographic snapshot of tyrosine trans-phosphorylation in action. Proc Natl Acad Sci U S A. 2008 Dec 16;105(50):19660-5. | ||||
| REF 4 | Two FGF Receptor Kinase Molecules Act in Concert to Recruit and Transphosphorylate Phospholipase CGamma. Mol Cell. 2016 Jan 7;61(1):98-110. | ||||
| REF 5 | Structure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2. Bioorg Med Chem. 2020 May 15;28(10):115453. | ||||
| REF 6 | The cocrystal structure of FGFR2 bound with compound 14 harboring 5H-pyrrolo[2,3-b]pyrazine scaffold | ||||
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