Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T84703 | Target Info | |||
| Target Name | BDNF/NT-3 growth factors receptor (TrkB) | ||||
| Synonyms | Tropomyosin-related kinase B; TrkB tyrosine kinase; Trk-B; TRKB; Neurotrophic tyrosine kinase receptor type 2; GP145-TrkB | ||||
| Target Type | Successful Target | ||||
| Gene Name | NTRK2 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: GW-2580 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH GW2580 | PDB:4AT5 | ||||
| Method | X-ray diffraction | Resolution | 1.71 Å | Mutation | No | [1] |
| PDB Sequence |
GAMDTFVQHI
549 KRHNIVLKRE559 LGEGAFGKVF569 LAECYNLKIL584 VAVKTLKDAS594 DNARKDFHRE 604 AELLTNLQHE614 HIVKFYGVCV624 EGDPLIMVFE634 YMKHGDLNKF644 LRAHGPDAVL 654 MAEGNPPTEL664 TQSQMLHIAQ674 QIAAGMVYLA684 SQHFVHRDLA694 TRNCLVGENL 704 LVKIGDFGMS714 RDVYSTDYYR724 VGGHTMLPIR734 WMPPESIMYR744 KFTTESDVWS 754 LGVVLWEIFT764 YGKQPWYQLS774 NNEVIECITQ784 GRVLQRPRTC794 PQEVYELMLG 804 CWQREPHMRK814 NIKGIHTLLQ824 NLAKASPVYL834 DILG
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LEU560
4.106
VAL568
4.495
ALA586
3.326
LYS588
4.046
LEU608
3.755
LEU611
3.701
ILE616
3.730
VAL617
3.457
PHE633
3.443
GLU634
2.888
TYR635
3.444
MET636
2.938
|
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| Ligand Name: (R)-3-((6,7,8,9-Tetrahydro-5H-benzo[7]annulen-5-yl)thio)-5-ureidoisothiazole-4-carboxamide | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH CPD5N | PDB:4AT3 | ||||
| Method | X-ray diffraction | Resolution | 1.77 Å | Mutation | No | [1] |
| PDB Sequence |
GAMDTFVQHI
549 KRHNIVLKRE559 LGEGAFGKVF569 LAECYNLCKI583 LVAVKTLASD595 NARKDFHREA 605 ELLTNLQHEH615 IVKFYGVCVE625 GDPLIMVFEY635 MKHGDLNKFL645 RAHGPDAVLM 655 ANPPTELTQS667 QMLHIAQQIA677 AGMVYLASQH687 FVHRDLATRN697 CLVGENLLVK 707 IGDFGMSRYS719 TDYYRVGGHT729 MLPIRWMPPE739 SIMYRKFTTE749 SDVWSLGVVL 759 WEIFTYGKQP769 WYQLSNNEVI779 ECITQGRVLQ789 RPRTCPQEVY799 ELMLGCWQRE 809 PHMRKNIKGI819 HTLLQNLAKA829 SPVYLDILG
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LEU560
3.745
GLY561
4.157
PHE565
3.332
VAL568
3.999
ALA586
3.317
LYS588
4.259
VAL617
4.147
PHE633
3.593
GLU634
2.974
TYR635
3.588
MET636
2.735
|
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| Ligand Name: 1-[4-(4-Aminothieno[2,3-D]pyrimidin-5-Yl)phenyl]-3-[2-Fluoro-5-(Trifluoromethyl)phenyl]urea | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH EX429 | PDB:4AT4 | ||||
| Method | X-ray diffraction | Resolution | 2.36 Å | Mutation | No | [1] |
| PDB Sequence |
GAMDTFVQHI
549 KRHNIVLKRE559 LGEGAFGKVF569 LAECYNLCKI583 LVAVKTLKDA593 SDNARKDFHR 603 EAELLTNLQH613 EHIVKFYGVC623 VEGDPLIMVF633 EYMKHGDLNK643 FLRAHGPDAV 653 LMAPPTELTQ666 SQMLHIAQQI676 AAGMVYLASQ686 HFVHRDLATR696 NCLVGENLLV 706 KIGDFGMSRD716 VYSTDYYRVG726 GHTMLPIRWM736 PPESIMYRKF746 TTESDVWSLG 756 VVLWEIFTYG766 KQPWYQLSNN776 EVIECITQGR786 VLQRPRTCPQ796 EVYELMLGCW 806 QREPHMRKNI816 KGIHTLLQNL826 AKASPVYLDI836 LG
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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 .T6E or .T6E2 or .T6E3 or :3T6E;style chemicals stick;color identity;select .A:560 or .A:568 or .A:586 or .A:588 or .A:604 or .A:608 or .A:611 or .A:616 or .A:617 or .A:633 or .A:634 or .A:635 or .A:636 or .A:683 or .A:688 or .A:690 or .A:699 or .A:708 or .A:709 or .A:710 or .A:711 or .A:713; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU560
3.813
VAL568
4.048
ALA586
3.545
LYS588
3.687
GLU604
3.048
LEU608
3.581
LEU611
3.378
ILE616
3.563
VAL617
3.338
PHE633
3.523
GLU634
2.997
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | The crystal structures of TrkA and TrkB suggest key regions for achieving selective inhibition. J Mol Biol. 2012 Oct 26;423(3):439-53. | ||||
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