Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T07173 | Target Info | |||
| Target Name | Tropomyosin-related kinase A (TrkA) | ||||
| Synonyms | gp140trk; Tyrosine kinase receptor A; Tyrosine kinase receptor; Trk-A; TRKA; TRK1-transforming tyrosine kinase protein; TRK1 transforming tyrosinekinase protein; TRK; P140-TrkA; Neurotrophic tyrosine kinase receptor type 1; NGF-trk receptor type A; MTC; High affinity nerve growth factor receptor | ||||
| Target Type | Successful Target | ||||
| Gene Name | NTRK1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Entrectinib | Ligand Info | |||||
| Structure Description | THE STRUCTURE OF TRKA KINASE DOMAIN BOUND TO THE INHIBITOR ENTRECTINIB | PDB:5KVT | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [1] |
| PDB Sequence |
CVHHIKRRDI
510 VLKWELGEGA520 FGKVFLAECH530 NLDKMLVAVK544 ALKEASESAR554 QDFQREAELL 564 TMLQHQHIVR574 FFGVCTEGRP584 LLMVFEYMRH594 GDLNRFLRSH604 GPDAKLLAGG 614 EDVAPGPLGL624 GQLLAVASQV634 AAGMVYLAGL644 HFVHRDLATR654 NCLVGQGLVV 664 KIGDFGMSRD674 IYSTDYYRVG684 GRTMLPIRWM694 PPESILYRKF704 TTESDVWSFG 714 VVLWEIFTYG724 KQPWYQLSNT734 EAIDCITQGR744 ELERPRACPP754 EVYAIMRGCW 764 QREPQQRHSI774 KDVHARLQAL784 AQAHHHH
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LEU516
3.361
GLY517
3.777
GLU518
3.286
GLY519
4.922
PHE521
3.916
VAL524
3.184
ALA542
3.335
LYS544
4.576
VAL573
4.062
PHE589
3.591
GLU590
2.872
TYR591
3.886
|
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| Ligand Name: TPX-0005 | Ligand Info | |||||
| Structure Description | Crystal structure of TrkA (G595R) kinase with repotrectinib | PDB:7VKN | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [2] |
| PDB Sequence |
GSGIRVHHIK
506 RRDIVLKWEL516 GEGAFGKVFL526 AECHNLLPEQ536 DKMLVAVKAL546 KEASESARQD 556 FQREAELLTM566 LQHQHIVRFF576 GVCTEGRPLL586 MVFEYMRHRD596 LNRFLRSHGP 606 DAKLLAGGED616 VAPGPLGLGQ626 LLAVASQVAA636 GMVYLAGLHF646 VHRDLATRNC 656 LVGQGLVVKI666 GDFGMRDIYS677 TDYYRVGGRT687 MLPIRWMPPE697 SILYRKFTTE 707 SDVWSFGVVL717 WEIFTYGKQP727 WYQLSNTEAI737 DCITQGRELE747 RPRACPPEVY 757 AIMRGCWQRE767 PQQRHSIKDV777 HARLQALAQA787 PPVYLDV
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|
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LEU516
4.035
GLY517
3.681
GLU518
4.372
VAL524
3.795
ALA542
3.087
LYS544
4.277
VAL573
4.178
PHE589
3.930
GLU590
3.183
TYR591
3.820
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: PF-06273340 | Ligand Info | |||||
| Structure Description | Crystal structure of TrkA in complex with PF-06273340 | PDB:5JFX | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | No | [3] |
| PDB Sequence |
MHHHHHHLVP
498 RGSVHHIKRR508 DIVLKWELGE518 GAFGKVFLAE528 CHNLLPEQDK538 MLVAVKALKE 548 ASESARQDFQ558 REAELLTMLQ568 HQHIVRFFGV578 CTEGRPLLMV588 FEYMRHGDLN 598 RFLRSHGPVA618 PGPLGLGQLL628 AVASQVAAGM638 VYLAGLHFVH648 RDLATRNCLV 658 GQGLVVKIGD668 FGLPIRWMPP696 ESILYRKFTT706 ESDVWSFGVV716 LWEIFTYGKQ 726 PWYQLSNTEA736 IDCITQGREL746 ERPRACPPEV756 YAIMRGCWQR766 EPQQRHSIKD 776 VHARLQALAQ786 APPVYLD
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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 .6K4 or .6K42 or .6K43 or :36K4;style chemicals stick;color identity;select .A:516 or .A:517 or .A:524 or .A:542 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:593 or .A:595 or .A:596 or .A:641 or .A:646 or .A:648 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
3.742
GLY517
3.993
VAL524
3.364
ALA542
3.521
LYS544
3.614
GLU560
4.503
LEU564
3.548
LEU567
3.800
ILE572
3.926
VAL573
3.803
PHE589
3.276
GLU590
3.558
TYR591
3.503
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| Ligand Name: AZ-23 | Ligand Info | |||||
| Structure Description | Human TrkA in complex with the inhibitor AZ-23 | PDB:4AOJ | ||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [4] |
| PDB Sequence |
ACVHHIKRRD
509 IVLKWELGEG519 AFGKVFLAEC529 HNLLPKMLVA542 VKALKEASES552 ARQDFQREAE 562 LLTMLQHQHI572 VRFFGVCTEG582 RPLLMVFEYM592 RHGDLNRFLR602 SHGPDPGPLG 623 LGQLLAVASQ633 VAAGMVYLAG643 LHFVHRDLAT653 RNCLVGQGLV663 VKIGDFGTML 689 PIRWMPPESI699 LYRKFTTESD709 VWSFGVVLWE719 IFTYGKQPWY729 QLSNTEAIDC 739 ITQGRELERP749 RACPPEVYAI759 MRGCWQREPQ769 QRHSIKDVHA779 RLQALAQAPP 789
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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 .V4Z or .V4Z2 or .V4Z3 or :3V4Z;style chemicals stick;color identity;select .A:516 or .A:517 or .A:518 or .A:519 or .A:521 or .A:524 or .A:542 or .A:544 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:593 or .A:594 or .A:595 or .A:596 or .A:599 or .A:654 or .A:655 or .A:656 or .A:657 or .A:667 or .A:668; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
3.553
GLY517
4.205
GLU518
4.279
GLY519
4.520
PHE521
4.204
VAL524
3.591
ALA542
3.283
LYS544
4.268
VAL573
3.946
PHE589
3.596
GLU590
2.801
TYR591
3.689
|
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| Ligand Name: L-serine-O-phosphate | Ligand Info | |||||
| Structure Description | TRK-A IN COMPLEX WITH LIGAND 1B | PDB:6PL1 | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [5] |
| PDB Sequence |
ACVHHIKRRD
509 IVLKWELGEG519 AFGKVFLAEC529 HNLLPEQDKM539 LVAVKALKES552 ARQDFQREAE 562 LLTMLQHQHI572 VRFFGVCTEG582 RPLLMVFEYM592 RHGDLNRFLR602 SHGPDAKLLA 612 GGEDVAPGPL622 GLGQLLAVAS632 QVAAGMVYLA642 GLHFVHRDLA652 TRNCLVGQGL 662 VVKIGDFGMS672 RDIYTDYYRV683 TMLPIRWMPP696 ESILYRKFTT706 ESDVWSFGVV 716 LWEIFTYGKQ726 PWYQLSNTEA736 IDCITQGREL746 ERPRACPPEV756 YAIMRGCWQR 766 EPQQRHSIKD776 VHARLQALAQ786 APPVYLDVL
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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 .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:672 or .A:673 or .A:674 or .A:675 or .A:676 or .A:678 or .A:679 or .A:680 or .A:682 or .A:688; 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: 1-(5-Methyl-3-Phenyl-1,2-Oxazol-4-Yl)-3-[[2-(Trifluoromethyl)phenyl]methyl]urea | Ligand Info | |||||
| Structure Description | TrkA JM-kinase with 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea | PDB:5KML | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | Yes | [6] |
| PDB Sequence |
SSLSPTDACV
502 HHIKRRDIVL512 KWELGEGAFG522 KVFLAECHNL532 LPDKMLVAVK544 ALKESESARQ 555 DFQREAELLT565 MLQHQHIVRF575 FGVCTEGRPL585 LMVFEYMRHG595 DLNRFLRSHG 605 PDAGEDVAPG620 PLGLGQLLAV630 ASQVAAGMVY640 LAGLHFVHRD650 LATRNCLVGQ 660 GLVVKIGDFG670 MSRDIYSTDY680 YRVGGRTMLP690 IRWMPPESIL700 YRKFTTESDV 710 WSFGVVLWEI720 FTYGKQPWYQ730 LSNTEAIDCI740 TQGRELERPR750 ACPPEVYAIM 760 RGCWQREPQQ770 RHSIKDVHAR780 LQALAQAPPV790 YLDVLG
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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 .6UH or .6UH2 or .6UH3 or :36UH;style chemicals stick;color identity;select .A:474 or .A:475 or .A:476 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:587 or .A:589 or .A:641 or .A:648 or .A:666 or .A:667 or .A:668 or .A:669 or .A:670 or .A:673; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-(2-Methyl-4-Phenyl-Pyrimidin-5-Yl)-3-[[2-(Trifluoromethyl)phenyl]methyl]urea | Ligand Info | |||||
| Structure Description | TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea | PDB:5KMN | ||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | Yes | [6] |
| PDB Sequence |
SSLSPTDACV
502 HHIKRRDIVL512 KWELGEGAFG522 KVFLAECHNL532 LPDKMLVAVK544 ALKESESARQ 555 DFQREAELLT565 MLQHQHIVRF575 FGVCTEGRPL585 LMVFEYMRHG595 DLNRFLRSHG 605 PDAGEDVAPG620 PLGLGQLLAV630 ASQVAAGMVY640 LAGLHFVHRD650 LATRNCLVGQ 660 GLVVKIGDFG670 MSRDIYSTDY680 YRVGGRTMLP690 IRWMPPESIL700 YRKFTTESDV 710 WSFGVVLWEI720 FTYGKQPWYQ730 LSNTEAIDCI740 TQGRELERPR750 ACPPEVYAIM 760 RGCWQREPQQ770 RHSIKDVHAR780 LQALAQAPPV790 YLDVLG
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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 .6UK or .6UK2 or .6UK3 or :36UK;style chemicals stick;color identity;select .A:474 or .A:475 or .A:476 or .A:521 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:587 or .A:589 or .A:641 or .A:648 or .A:666 or .A:667 or .A:668 or .A:669 or .A:670 or .A:673; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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SER474
2.881
SER475
2.831
LEU476
3.196
PHE521
3.744
LYS544
3.213
GLU560
3.469
LEU564
3.701
LEU567
3.268
ILE572
3.392
VAL573
4.116
|
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| Ligand Name: 1-(9~{h}-Fluoren-9-Yl)-3-(2-Methyl-4-Phenyl-Pyrimidin-5-Yl)urea | Ligand Info | |||||
| Structure Description | TrkA JM-kinase with 1-(9{H}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea | PDB:5KMI | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [6] |
| PDB Sequence |
LQGHIIENPQ
495 CVHHIKRRDI510 VLKWELGEGA520 FGKVFLAECH530 NLLPEQDKML540 VAVKALKESA 553 RQDFQREAEL563 LTMLQHQHIV573 RFFGVCTEGR583 PLLMVFEYMR593 HGDLNRFLRS 603 HGPDAKLGED616 VAPGPLGLGQ626 LLAVASQVAA636 GMVYLAGLHF646 VHRDLATRNC 656 LVGQGLVVKI666 GDFGMSRDIY676 STDYYRVGGR686 TMLPIRWMPP696 ESILYRKFTT 706 ESDVWSFGVV716 LWEIFTYGKQ726 PWYQLSNTEA736 IDCITQGREL746 ERPRACPPEV 756 YAIMRGCWQR766 EPQQRHSIKD776 VHARLQALAQ786 APPVYLDVLG796 |
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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 .6UE or .6UE2 or .6UE3 or :36UE;style chemicals stick;color identity;select .A:486 or .A:488 or .A:489 or .A:490 or .A:493 or .A:521 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:587 or .A:589 or .A:641 or .A:646 or .A:647 or .A:648 or .A:666 or .A:667 or .A:668 or .A:669 or .A:670 or .A:673; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU486
3.744
GLY488
3.013
HIS489
3.529
ILE490
2.824
ASN493
4.584
PHE521
3.675
LYS544
3.692
GLU560
3.450
LEU564
3.619
LEU567
3.673
ILE572
3.807
VAL573
3.896
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| Ligand Name: N-(pyridin-2-ylmethyl)-2-(2-thien-2-yl-1H-indol-1-yl)acetamide | Ligand Info | |||||
| Structure Description | TrkA JM-kinase with {N}-(2-pyridylmethyl)-2-[2-(2-thienyl)indol-1-yl]acetamide | PDB:5KMJ | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [6] |
| PDB Sequence |
LQGHIIENPQ
495 ACVHHIKRRD509 IVLKWELGEG519 AFGKVFLAEC529 HNLLPEQDKM539 LVAVKALKEE 551 SARQDFQREA561 ELLTMLQHQH571 IVRFFGVCTE581 GRPLLMVFEY591 MRHGDLNRFL 601 RSHGPDAKGE615 DVAPGPLGLG625 QLLAVASQVA635 AGMVYLAGLH645 FVHRDLATRN 655 CLVGQGLVVK665 IGDFGMSRDI675 YSTDYYRVGG685 RTMLPIRWMP695 PESILYRKFT 705 TESDVWSFGV715 VLWEIFTYGK725 QPWYQLSNTE735 AIDCITQGRE745 LERPRACPPE 755 VYAIMRGCWQ765 REPQQRHSIK775 DVHARLQALA785 QAPPVYLDVL795 |
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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 .6UF or .6UF2 or .6UF3 or :36UF;style chemicals stick;color identity;select .A:486 or .A:487 or .A:488 or .A:489 or .A:490 or .A:493 or .A:521 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:589 or .A:641 or .A:646 or .A:647 or .A:648 or .A:666 or .A:667 or .A:668 or .A:669 or .A:670 or .A:673; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU486
4.514
GLN487
4.174
GLY488
3.274
HIS489
3.324
ILE490
3.002
ASN493
3.538
PHE521
4.020
LYS544
4.323
GLU560
4.811
LEU564
3.785
LEU567
3.661
ILE572
3.743
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| Ligand Name: 1-(2-Methyl-4-Phenyl-Pyrimidin-5-Yl)-3-Naphthalen-1-Yl-Urea | Ligand Info | |||||
| Structure Description | TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-(1-naphthyl)urea | PDB:5KMM | ||||
| Method | X-ray diffraction | Resolution | 2.12 Å | Mutation | No | [6] |
| PDB Sequence |
SGLQGHIIAC
501 VHHIKRRDIV511 LKWELGEGAF521 GKVFLAECHN531 LLPEQDKMLV541 AVKALKESAR 554 QDFQREAELL564 TMLQHQHIVR574 FFGVCTEGRP584 LLMVFEYMRH594 GDLNRFLRSH 604 GPDAKLGGED616 VAPGPLGLGQ626 LLAVASQVAA636 GMVYLAGLHF646 VHRDLATRNC 656 LVGQGLVVKI666 GDFGMSRDIY676 STDYYRVGGR686 TMLPIRWMPP696 ESILYRKFTT 706 ESDVWSFGVV716 LWEIFTYGKQ726 PWYQLSNTEA736 IDCITQGREL746 ERPRACPPEV 756 YAIMRGCWQR766 EPQQRHSIKD776 VHARLQALAQ786 APPVYLDVLG796 H |
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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 .6UJ or .6UJ2 or .6UJ3 or :36UJ;style chemicals stick;color identity;select .A:484 or .A:485 or .A:486 or .A:521 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:587 or .A:589 or .A:641 or .A:646 or .A:648 or .A:666 or .A:667 or .A:668 or .A:669 or .A:670 or .A:673; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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SER484
3.624
GLY485
3.851
LEU486
3.176
PHE521
3.659
LYS544
3.756
GLU560
3.550
LEU564
3.596
LEU567
4.366
ILE572
4.103
VAL573
4.573
MET587
3.840
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| Ligand Name: 2-Fluoranyl-~{n}-[2-(4-Fluorophenyl)-6-Methyl-Pyridin-3-Yl]-4-(Trifluoromethyl)benzamide | Ligand Info | |||||
| Structure Description | TrkA JM-kinase with 2-fluoro-{N}-[2-(4-fluorophenyl)-6-methyl-3-pyridyl]-4-(trifluoromethyl)benzamide | PDB:5KMK | ||||
| Method | X-ray diffraction | Resolution | 2.24 Å | Mutation | No | [6] |
| PDB Sequence |
SGLQGHIIEN
493 ACVHHIKRRD509 IVLKWELGEG519 AFGKVFLAEC529 HNLLPEQDKM539 LVAVKALKES 552 ARQDFQREAE562 LLTMLQHQHI572 VRFFGVCTEG582 RPLLMVFEYM592 RHGDLNRFLR 602 SHGPDAKLGG614 EDVAPGPLGL624 GQLLAVASQV634 AAGMVYLAGL644 HFVHRDLATR 654 NCLVGQGLVV664 KIGDFGMSRD674 IYSTDYYRVG684 GRTMLPIRWM694 PPESILYRKF 704 TTESDVWSFG714 VVLWEIFTYG724 KQPWYQLSNT734 EAIDCITQGR744 ELERPRACPP 754 EVYAIMRGCW764 QREPQQRHSI774 KDVHARLQAL784 AQAPPVYLDV794 LGHH |
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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 .6UG or .6UG2 or .6UG3 or :36UG;style chemicals stick;color identity;select .A:484 or .A:485 or .A:486 or .A:521 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:587 or .A:589 or .A:641 or .A:646 or .A:648 or .A:666 or .A:667 or .A:668 or .A:669 or .A:670 or .A:673; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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SER484
2.922
GLY485
3.494
LEU486
2.890
PHE521
4.021
LYS544
3.646
GLU560
3.598
LEU564
3.243
LEU567
3.618
ILE572
3.423
VAL573
4.545
MET587
3.225
|
|||||
| Ligand Name: 1-(2-Methyl-4-Phenyl-Pyrimidin-5-Yl)-3-Pyridin-2-Yl-Urea | Ligand Info | |||||
| Structure Description | TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-(2-pyridyl)urea | PDB:5KMO | ||||
| Method | X-ray diffraction | Resolution | 2.67 Å | Mutation | No | [6] |
| PDB Sequence |
ACVHHIKRRD
509 IVLKWELGEG519 AFGKVFLAEC529 HNLLPEQDKM539 LVAVKALKES552 ARQDFQREAE 562 LLTMLQHQHI572 VRFFGVCTEG582 RPLLMVFEYM592 RHGDLNRFLR602 SHGPDAKLGG 614 EDVAPGPLGL624 GQLLAVASQV634 AAGMVYLAGL644 HFVHRDLATR654 NCLVGQGLVV 664 KIGDFGRDIY676 STDYYRVGGR686 TMLPIRWMPP696 ESILYRKFTT706 ESDVWSFGVV 716 LWEIFTYGKQ726 PWYQLSNTEA736 IDCITQGREL746 ERPRACPPEV756 YAIMRGCWQR 766 EPQQRHSIKD776 VHARLQALAQ786 APPVYLDVLG796 H
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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 .6UM or .6UM2 or .6UM3 or :36UM;style chemicals stick;color identity;select .A:516 or .A:517 or .A:518 or .A:524 or .A:542 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:595 or .A:596 or .A:657 or .A:669 or .A:673; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-[(3s,4r)-4-[3,4-Bis(Fluoranyl)phenyl]-1-(2-Methoxyethyl)pyrrolidin-3-Yl]-3-(5-Ethoxy-4-Methyl-2-Phenyl-Pyrazol-3-Yl)urea | Ligand Info | |||||
| Structure Description | Crystal Structure of TrkA kinase with ligand | PDB:5H3Q | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [7] |
| PDB Sequence |
SGLQGHIIEN
493 PQYFSDACVH503 HIKRRDIVLK513 WELGEGAFGK523 VFLAECHNKM539 LVAVKALKEA 553 RQDFQREAEL563 LTMLQHQHIV573 RFFGVCTEGR583 PLLMVFEYMR593 HGDLNRFLRS 603 HGPDAKLLAG613 GEDVAPGPLG623 LGQLLAVASQ633 VAAGMVYLAG643 LHFVHRDLAT 653 RNCLVGQGLV663 VKIGDFGMSR673 DIYSTDYYRV683 GGRTMLPIRW693 MPPESILYRK 703 FTTESDVWSF713 GVVLWEIFTY723 GKQPWYQLSN733 TEAIDCITQG743 RELERPRACP 753 PEVYAIMRGC763 WQREPQQRHS773 IKDVHARLQA783 LAQAPPVYLD793 VLG |
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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 .7HF or .7HF2 or .7HF3 or :37HF;style chemicals stick;color identity;select .A:486 or .A:487 or .A:488 or .A:489 or .A:490 or .A:493 or .A:521 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:587 or .A:589 or .A:641 or .A:646 or .A:647 or .A:648 or .A:649 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669 or .A:670 or .A:673; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU486
3.336
GLN487
4.256
GLY488
3.120
HIS489
3.470
ILE490
3.005
ASN493
3.246
PHE521
3.878
LYS544
3.532
GLU560
3.387
LEU564
4.046
LEU567
3.971
ILE572
4.591
VAL573
3.505
MET587
3.584
|
|||||
| Ligand Name: 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of Tyrosine-protein kinase receptor in complex with 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one Inhibitor | PDB:6D1Z | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [8] |
| PDB Sequence |
GSGLQGHIIE
492 CVHHIKRRDI510 VLKWELGEGA520 FGKVFLAECH530 NLLPEQDKML540 VAVKALKEAS 550 ESARQDFQRE560 AELLTMLQHQ570 HIVRFFGVCT580 EGRPLLMVFE590 YMRHGDLNRF 600 LRSHGPDGPL622 GLGQLLAVAS632 QVAAGMVYLA642 GLHFVHRDLA652 TRNCLVGQGL 662 VVKIGDFGMS672 RDIYSTDYYR682 TMLPIRWMPP696 ESILYRKFTT706 ESDVWSFGVV 716 LWEIFTYGKQ726 PWYQLSNTEA736 IDCITQGREL746 ERPRACPPEV756 YAIMRGCWQR 766 EPQQRHSIKD776 VHARLQALAQ786 APPVYLDVLG796
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FQD or .FQD2 or .FQD3 or :3FQD;style chemicals stick;color identity;select .A:512 or .A:513 or .A:514 or .A:515 or .A:525; 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: 5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of Tyrosine-protein kinase receptor in complex with 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one Inhibitor | PDB:6D1Z | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [8] |
| PDB Sequence |
GSGLQGHIIE
492 CVHHIKRRDI510 VLKWELGEGA520 FGKVFLAECH530 NLLPEQDKML540 VAVKALKEAS 550 ESARQDFQRE560 AELLTMLQHQ570 HIVRFFGVCT580 EGRPLLMVFE590 YMRHGDLNRF 600 LRSHGPDGPL622 GLGQLLAVAS632 QVAAGMVYLA642 GLHFVHRDLA652 TRNCLVGQGL 662 VVKIGDFGMS672 RDIYSTDYYR682 TMLPIRWMPP696 ESILYRKFTT706 ESDVWSFGVV 716 LWEIFTYGKQ726 PWYQLSNTEA736 IDCITQGREL746 ERPRACPPEV756 YAIMRGCWQR 766 EPQQRHSIKD776 VHARLQALAQ786 APPVYLDVLG796
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FQM or .FQM2 or .FQM3 or :3FQM;style chemicals stick;color identity;select .A:484 or .A:485 or .A:486 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:574 or .A:587 or .A:589 or .A:641 or .A:646 or .A:647 or .A:648 or .A:666 or .A:667 or .A:668 or .A:669 or .A:670 or .A:673; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER484
3.358
GLY485
3.404
LEU486
3.116
LYS544
3.666
GLU560
3.400
LEU564
3.532
LEU567
4.325
ILE572
3.666
VAL573
3.168
ARG574
4.975
MET587
3.912
|
|||||
| Ligand Name: 2,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of Tyrosine-protein kinase receptor in complex with 2,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide Inhibitor | PDB:6D1Y | ||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [8] |
| PDB Sequence |
GKGSGLQGHI
490 IENPQYFSDA500 CVHHIKRRDI510 VLKWELGEGA520 FGKVFLAECH530 NLLDKMLVAV 543 KALKEASESA553 RQDFQREAEL563 LTMLQHQHIV573 RFFGVCTEGR583 PLLMVFEYMR 593 HGDLNRFLRS603 HGPDAKLGPL622 GLGQLLAVAS632 QVAAGMVYLA642 GLHFVHRDLA 652 TRNCLVGQGL662 VVKIGDFGMS672 RDIYSTDYYR682 TMLPIRWMPP696 ESILYRKFTT 706 ESDVWSFGVV716 LWEIFTYGKQ726 PWYQLSNTEA736 IDCITQGREL746 ERPRACPPEV 756 YAIMRGCWQR766 EPQQRHSIKD776 VHARLQALAQ786 APPVYLDVLG796 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FQJ or .FQJ2 or .FQJ3 or :3FQJ;style chemicals stick;color identity;select .A:481 or .A:482 or .A:483 or .A:484 or .A:485 or .A:486 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:587 or .A:589 or .A:641 or .A:646 or .A:647 or .A:648 or .A:666 or .A:667 or .A:668 or .A:669 or .A:670 or .A:673; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY481
3.429
LYS482
3.183
GLY483
4.020
SER484
3.304
GLY485
3.253
LEU486
3.203
LYS544
3.800
GLU560
2.294
LEU564
3.351
LEU567
4.328
ILE572
3.645
MET587
2.866
|
|||||
| Ligand Name: 5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of Tyrosine-protein kinase receptor in complex with 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one and 5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide Inhibitors | PDB:6D20 | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [8] |
| PDB Sequence |
KGSGLQGHII
491 ENACVHHIKR507 RDIVLKWELG517 EGAFGKVFLA527 ECHNLLPEQD537 KMLVAVKALK 547 EASESARQDF557 QREAELLTML567 QHQHIVRFFG577 VCTEGRPLLM587 VFEYMRHGDL 597 NRFLRSHGPD607 AGPLGLGQLL628 AVASQVAAGM638 VYLAGLHFVH648 RDLATRNCLV 658 GQGLVVKIGD668 FGMSRDIYST678 DYYRVGTMLP690 IRWMPPESIL700 YRKFTTESDV 710 WSFGVVLWEI720 FTYGKQPWYQ730 LSNTEAIDCI740 TQGRELERPR750 ACPPEVYAIM 760 RGCWQREPQQ770 RHSIKDVHAR780 LQALAQAPPV790 YLDVLG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FQG or .FQG2 or .FQG3 or :3FQG;style chemicals stick;color identity;select .A:482 or .A:483 or .A:484 or .A:485 or .A:486 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:574 or .A:575 or .A:587 or .A:589 or .A:641 or .A:646 or .A:647 or .A:648 or .A:650 or .A:666 or .A:667 or .A:668 or .A:669 or .A:670 or .A:673; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS482
3.552
GLY483
2.915
SER484
3.418
GLY485
3.211
LEU486
3.037
LYS544
3.128
GLU560
2.483
LEU564
3.242
LEU567
3.135
ILE572
3.295
VAL573
2.595
ARG574
4.029
PHE575
4.255
|
|||||
| Ligand Name: 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 19. | PDB:6DKI | ||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [9] |
| PDB Sequence |
ACVHHIKRRD
509 IVLKWELGEG519 AFGKVFLAEC529 HNLLPEQDKM539 LVAVKALKEA549 SESARQDFQR 559 EAELLTMLQH569 QHIVRFFGVC579 TEGRPLLMVF589 EYMRHGDLNR599 FLRSHGPDGP 621 LGLGQLLAVA631 SQVAAGMVYL641 AGLHFVHRDL651 ATRNCLVGQG661 LVVKIGDFGR 673 DIYSTDYYRT687 MLPIRWMPPE697 SILYRKFTTE707 SDVWSFGVVL717 WEIFTYGKQP 727 WYQLSNTEAI737 DCITQGRELE747 RPRACPPEVY757 AIMRGCWQRE767 PQQRHSIKDV 777 HARLQALAQA787 PPVYLDVLG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .22L or .22L2 or .22L3 or :322L;style chemicals stick;color identity;select .A:512 or .A:513 or .A:514 or .A:515 or .A:525; 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: 6-amino-5-{[(3S)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-N-methylpyridine-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 19. | PDB:6DKI | ||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [9] |
| PDB Sequence |
ACVHHIKRRD
509 IVLKWELGEG519 AFGKVFLAEC529 HNLLPEQDKM539 LVAVKALKEA549 SESARQDFQR 559 EAELLTMLQH569 QHIVRFFGVC579 TEGRPLLMVF589 EYMRHGDLNR599 FLRSHGPDGP 621 LGLGQLLAVA631 SQVAAGMVYL641 AGLHFVHRDL651 ATRNCLVGQG661 LVVKIGDFGR 673 DIYSTDYYRT687 MLPIRWMPPE697 SILYRKFTTE707 SDVWSFGVVL717 WEIFTYGKQP 727 WYQLSNTEAI737 DCITQGRELE747 RPRACPPEVY757 AIMRGCWQRE767 PQQRHSIKDV 777 HARLQALAQA787 PPVYLDVLG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GOD or .GOD2 or .GOD3 or :3GOD;style chemicals stick;color identity;select .A:516 or .A:524 or .A:542 or .A:543 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:574 or .A:589 or .A:590 or .A:591 or .A:592 or .A:593 or .A:595 or .A:596 or .A:641 or .A:646 or .A:648 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
3.287
VAL524
3.283
ALA542
3.360
VAL543
4.643
LYS544
3.673
GLU560
4.970
LEU564
3.597
LEU567
3.463
ILE572
3.121
VAL573
2.875
ARG574
4.709
PHE589
2.682
GLU590
1.885
|
|||||
| Ligand Name: 2-((3R,4S)-3-Fluoro-1-(2-(4-(trifluoromethoxy)phenyl)acetyl)piperidin-4-yloxy)-4-(2-hydroxy-2-methylpropoxy)benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 13b. | PDB:6DKG | ||||
| Method | X-ray diffraction | Resolution | 2.53 Å | Mutation | No | [9] |
| PDB Sequence |
ACVHHIKRRD
509 IVLKWELGEG519 AFGKVFLAEC529 HNLLPEQDKM539 LVAVKALKEA549 SESARQDFQR 559 EAELLTMLQH569 QHIVRFFGVC579 TEGRPLLMVF589 EYMRHGDLNR599 FLRSHGPDGP 621 LGLGQLLAVA631 SQVAAGMVYL641 AGLHFVHRDL651 ATRNCLVGQG661 LVVKIGDFGY 676 STDYYRTMLP690 IRWMPPESIL700 YRKFTTESDV710 WSFGVVLWEI720 FTYGKQPWYQ 730 LSNTEAIDCI740 TQGRELERPR750 ACPPEVYAIM760 RGCWQREPQQ770 RHSIKDVHAR 780 LQALAQAPPV790 YLDVLG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GO7 or .GO72 or .GO73 or :3GO7;style chemicals stick;color identity;select .A:516 or .A:517 or .A:518 or .A:524 or .A:542 or .A:543 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:574 or .A:589 or .A:590 or .A:591 or .A:592 or .A:595 or .A:596 or .A:599 or .A:641 or .A:646 or .A:648 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669 or .A:676; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
2.302
GLY517
3.327
GLU518
4.614
VAL524
3.389
ALA542
3.313
VAL543
4.937
LYS544
4.018
GLU560
4.875
LEU564
3.346
LEU567
3.730
ILE572
3.469
VAL573
2.998
ARG574
4.833
PHE589
2.783
GLU590
2.300
|
|||||
| Ligand Name: 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 10b. | PDB:6DKB | ||||
| Method | X-ray diffraction | Resolution | 2.68 Å | Mutation | No | [9] |
| PDB Sequence |
CVHHIKRRDI
510 VLKWELGEGA520 FGKVFLAECH530 NLLPEQDKML540 VAVKALKEAS550 ESARQDFQRE 560 AELLTMLQHQ570 HIVRFFGVCT580 EGRPLLMVFE590 YMRHGDLNRF600 LRSHGPGPLG 623 LGQLLAVASQ633 VAAGMVYLAG643 LHFVHRDLAT653 RNCLVGQGLV663 VKIGDFGSTD 679 YYRMLPIRWM694 PPESILYRKF704 TTESDVWSFG714 VVLWEIFTYG724 KQPWYQLSNT 734 EAIDCITQGR744 ELERPRACPP754 EVYAIMRGCW764 QREPQQRHSI774 KDVHARLQAL 784 AQAPPVYLDV794 LG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FKY or .FKY2 or .FKY3 or :3FKY;style chemicals stick;color identity;select .A:516 or .A:524 or .A:542 or .A:544 or .A:564 or .A:567 or .A:572 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:593 or .A:594 or .A:595 or .A:599 or .A:641 or .A:646 or .A:648 or .A:655 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
3.471
VAL524
3.773
ALA542
3.318
LYS544
4.673
LEU564
3.557
LEU567
3.890
ILE572
4.153
VAL573
3.160
PHE589
3.340
GLU590
3.195
TYR591
3.328
MET592
2.761
ARG593
3.818
|
|||||
| Ligand Name: N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-phenoxazin-10-ylacetamide | Ligand Info | |||||
| Structure Description | TRK-A IN COMPLEX WITH LIGAND 6 | PDB:6NSS | ||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | No | [10] |
| PDB Sequence |
GLQGHIIENP
494 QCVHHIKRRD509 IVLKWELGEG519 AFGKVFLAEC529 HNLLPEQDKM539 LVAVKALKES 552 ARQDFQREAE562 LLTMLQHQHI572 VRFFGVCTEG582 RPLLMVFEYM592 RHGDLNRFLR 602 SHGPDAKLLA612 GGEDVAPGPL622 GLGQLLAVAS632 QVAAGMVYLA642 GLHFVHRDLA 652 TRNCLVGQGL662 VVKIGDFGMS672 RDIYSTDYYR682 VGGRTMLPIR692 WMPPESILYR 702 KFTTESDVWS712 FGVVLWEIFT722 YGKQPWYQLS732 NTEAIDCITQ742 GRELERPRAC 752 PPEVYAIMRG762 CWQREPQQRH772 SIKDVHARLQ782 ALAQAPPVYL792 DVL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L0M or .L0M2 or .L0M3 or :3L0M;style chemicals stick;color identity;select .A:486 or .A:487 or .A:488 or .A:489 or .A:490 or .A:492 or .A:493 or .A:521 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:587 or .A:589 or .A:641 or .A:646 or .A:647 or .A:648 or .A:666 or .A:667 or .A:668 or .A:669 or .A:670 or .A:673; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU486
3.813
GLN487
4.122
GLY488
3.010
HIS489
3.461
ILE490
2.818
GLU492
3.487
ASN493
4.011
PHE521
3.571
LYS544
3.336
GLU560
3.444
LEU564
3.503
LEU567
3.486
ILE572
3.799
|
|||||
| Ligand Name: N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]thio}-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea | Ligand Info | |||||
| Structure Description | TRK-A IN COMPLEX WITH LIGAND 1B | PDB:6PL1 | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [5] |
| PDB Sequence |
ACVHHIKRRD
509 IVLKWELGEG519 AFGKVFLAEC529 HNLLPEQDKM539 LVAVKALKES552 ARQDFQREAE 562 LLTMLQHQHI572 VRFFGVCTEG582 RPLLMVFEYM592 RHGDLNRFLR602 SHGPDAKLLA 612 GGEDVAPGPL622 GLGQLLAVAS632 QVAAGMVYLA642 GLHFVHRDLA652 TRNCLVGQGL 662 VVKIGDFGMS672 RDIYTDYYRV683 TMLPIRWMPP696 ESILYRKFTT706 ESDVWSFGVV 716 LWEIFTYGKQ726 PWYQLSNTEA736 IDCITQGREL746 ERPRACPPEV756 YAIMRGCWQR 766 EPQQRHSIKD776 VHARLQALAQ786 APPVYLDVL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OOJ or .OOJ2 or .OOJ3 or :3OOJ;style chemicals stick;color identity;select .A:516 or .A:524 or .A:542 or .A:544 or .A:560 or .A:563 or .A:564 or .A:567 or .A:572 or .A:573 or .A:587 or .A:589 or .A:590 or .A:591 or .A:592 or .A:593 or .A:595 or .A:641 or .A:646 or .A:648 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669 or .A:671; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
4.153
VAL524
4.214
ALA542
3.533
LYS544
3.660
GLU560
2.793
LEU563
3.853
LEU564
3.719
LEU567
3.606
ILE572
3.258
VAL573
4.330
MET587
4.861
PHE589
3.498
GLU590
3.589
|
|||||
| Ligand Name: hTrkA-IN-2 | Ligand Info | |||||
| Structure Description | TRK-A IN COMPLEX WITH LIGAND 1 | PDB:6PL4 | ||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | No | [11] |
| PDB Sequence |
GLQGHIACVH
503 HIKRRDIVLK513 WELGEGAFGK523 VFLAECHNLL533 PEQDKMLVAV543 KALKEASESA 553 RQDFQREAEL563 LTMLQHQHIV573 RFFGVCTEGR583 PLLMVFEYMR593 HGDLNRFLRS 603 HGPDAAGGED616 VAPGPLGLGQ626 LLAVASQVAA636 GMVYLAGLHF646 VHRDLATRNC 656 LVGQGLVVKI666 GDFGMSRDIY676 TDYYRVGGRT687 MLPIRWMPPE697 SILYRKFTTE 707 SDVWSFGVVL717 WEIFTYGKQP727 WYQLSNTEAI737 DCITQGRELE747 RPRACPPEVY 757 AIMRGCWQRE767 PQQRHSIKDV777 HARLQALAQA787 PPVYLDVL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OO7 or .OO72 or .OO73 or :3OO7;style chemicals stick;color identity;select .A:485 or .A:486 or .A:521 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:587 or .A:589 or .A:641 or .A:646 or .A:648 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669 or .A:670 or .A:673; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY485
3.280
LEU486
3.313
PHE521
4.036
LYS544
4.072
GLU560
3.410
LEU564
3.392
LEU567
3.497
ILE572
3.527
VAL573
3.754
MET587
3.640
PHE589
3.387
|
|||||
| Ligand Name: N-[6-({[(5-chloro-2-methoxyphenyl)amino]carbonyl}amino)-1,3-benzothiazol-2-yl]benzamide | Ligand Info | |||||
| Structure Description | TRK-A IN COMPLEX WITH LIGAND 1a | PDB:6PMC | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [12] |
| PDB Sequence |
ACVHHIKRRD
509 IVLKWELGEG519 AFGKVFLAEC529 HNLLPEQDKM539 LVAVKALKEA549 SESARQDFQR 559 EAELLTMLQH569 QHIVRFFGVC579 TEGRPLLMVF589 EYMRHGDLNR599 FLRSHGGGED 616 VAPGPLGLGQ626 LLAVASQVAA636 GMVYLAGLHF646 VHRDLATRNC656 LVGQGLVVKI 666 GDFGMSRDIY676 TDYYRVGGRT687 MLPIRWMPPE697 SILYRKFTTE707 SDVWSFGVVL 717 WEIFTYGKQP727 WYQLSNTEAI737 DCITQGRELE747 RPRACPPEVY757 AIMRGCWQRE 767 PQQRHSIKDV777 HARLQALAQA787 PPVYLDVL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OQJ or .OQJ2 or .OQJ3 or :3OQJ;style chemicals stick;color identity;select .A:516 or .A:524 or .A:542 or .A:544 or .A:560 or .A:563 or .A:564 or .A:567 or .A:572 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:595 or .A:641 or .A:646 or .A:648 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669 or .A:670; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
4.227
VAL524
3.701
ALA542
3.551
LYS544
4.145
GLU560
3.287
LEU563
4.337
LEU564
3.854
LEU567
3.963
ILE572
4.332
VAL573
4.888
PHE589
3.804
GLU590
4.520
|
|||||
| Ligand Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide | Ligand Info | |||||
| Structure Description | TRK-A IN COMPLEX WITH LIGAND | PDB:6PMA | ||||
| Method | X-ray diffraction | Resolution | 2.53 Å | Mutation | No | [12] |
| PDB Sequence |
ACVHHIKRRD
509 IVLKWELGEG519 AFGKVFLAEC529 HNLLPEQDKM539 LVAVKALKES552 ARQDFQREAE 562 LLTMLQHQHI572 VRFFGVCTEG582 RPLLMVFEYM592 RHGDLNRFLR602 SHGPDAAGGE 615 DVAPGPLGLG625 QLLAVASQVA635 AGMVYLAGLH645 FVHRDLATRN655 CLVGQGLVVK 665 IGDFGMSRDI675 YTDYYRVGGR686 TMLPIRWMPP696 ESILYRKFTT706 ESDVWSFGVV 716 LWEIFTYGKQ726 PWYQLSNTEA736 IDCITQGREL746 ERPRACPPEV756 YAIMRGCWQR 766 EPQQRHSIKD776 VHARLQALAQ786 APPVYLDVL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OQS or .OQS2 or .OQS3 or :3OQS;style chemicals stick;color identity;select .A:516 or .A:524 or .A:542 or .A:544 or .A:560 or .A:563 or .A:564 or .A:567 or .A:572 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:593 or .A:595 or .A:641 or .A:646 or .A:648 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669 or .A:670 or .A:671; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
4.745
VAL524
3.629
ALA542
3.491
LYS544
3.624
GLU560
2.903
LEU563
4.122
LEU564
3.662
LEU567
3.537
ILE572
3.520
VAL573
3.677
PHE589
3.411
GLU590
3.174
TYR591
3.500
|
|||||
| Ligand Name: N-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-2-{[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide | Ligand Info | |||||
| Structure Description | TRK-A IN COMPLEX WITH LIGAND 1a | PDB:6PL2 | ||||
| Method | X-ray diffraction | Resolution | 2.59 Å | Mutation | No | [13] |
| PDB Sequence |
DACVHHIKRR
508 DIVLKWELGE518 GAFGKVFLAE528 CHNLLPEQDK538 MLVAVKALKE548 ASESARQDFQ 558 REAELLTMLQ568 HQHIVRFFGV578 CTEGRPLLMV588 FEYMRHGDLN598 RFLRSHGPDA 608 KLLAGGEDVA618 PGPLGLGQLL628 AVASQVAAGM638 VYLAGLHFVH648 RDLATRNCLV 658 GQGLVVKIGD668 FGMSRDIYTD679 YYRVGGRTML689 PIRWMPPESI699 LYRKFTTESD 709 VWSFGVVLWE719 IFTYGKQPWY729 QLSNTEAIDC739 ITQGRELERP749 RACPPEVYAI 759 MRGCWQREPQ769 QRHSIKDVHA779 RLQALAQAPP789 VYLDVL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OOM or .OOM2 or .OOM3 or :3OOM;style chemicals stick;color identity;select .A:516 or .A:524 or .A:542 or .A:544 or .A:556 or .A:559 or .A:560 or .A:563 or .A:564 or .A:567 or .A:572 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:641 or .A:646 or .A:648 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
4.724
VAL524
3.174
ALA542
3.548
LYS544
3.540
ASP556
4.654
ARG559
3.375
GLU560
3.200
LEU563
4.356
LEU564
3.648
LEU567
3.605
ILE572
3.374
VAL573
4.216
|
|||||
| Ligand Name: 2-(5,7-dimethyl-2-pyridin-3-yl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide | Ligand Info | |||||
| Structure Description | TRK-A IN COMPLEX WITH LIGAND 1a | PDB:6PMB | ||||
| Method | X-ray diffraction | Resolution | 2.81 Å | Mutation | No | [12] |
| PDB Sequence |
ACVHHIKRRD
509 IVLKWELGEG519 AFGKVFLAEC529 HNLLPEQDKM539 LVAVKALKES552 ARQDFQREAE 562 LLTMLQHQHI572 VRFFGVCTEG582 RPLLMVFEYM592 RHGDLNRFLR602 SHGPDAGEDV 617 APGPLGLGQL627 LAVASQVAAG637 MVYLAGLHFV647 HRDLATRNCL657 VGQGLVVKIG 667 DFGMSRDIYS677 TDYYRVGGRT687 MLPIRWMPPE697 SILYRKFTTE707 SDVWSFGVVL 717 WEIFTYGKQP727 WYQLSNTEAI737 DCITQGRELE747 RPRACPPEVY757 AIMRGCWQRE 767 PQQRHSIKDV777 HARLQALAQA787 PPVYLDVL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OQM or .OQM2 or .OQM3 or :3OQM;style chemicals stick;color identity;select .A:516 or .A:524 or .A:542 or .A:544 or .A:560 or .A:563 or .A:564 or .A:567 or .A:572 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:641 or .A:646 or .A:648 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669 or .A:670; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
4.040
VAL524
4.231
ALA542
3.884
LYS544
3.976
GLU560
2.673
LEU563
3.937
LEU564
3.724
LEU567
3.410
ILE572
3.552
VAL573
3.683
PHE589
3.344
GLU590
3.410
|
|||||
| Ligand Name: 2-[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(1H-tetrazol-1-yl)benzoate | Ligand Info | |||||
| Structure Description | TRK-A IN COMPLEX WITH LIGAND 2a | PDB:6PL3 | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [13] |
| PDB Sequence |
ACVHHIKRRD
509 IVLKWELGEG519 AFGKVFLAEC529 HNLLPEQDKM539 LVAVKALKES550 ESARQDFQRE 560 AELLTMLQHQ570 HIVRFFGVCT580 EGRPLLMVFE590 YMRHGDLNRF600 LRSHGPDAGG 614 EDVAPGPLGL624 GQLLAVASQV634 AAGMVYLAGL644 HFVHRDLATR654 NCLVGQGLVV 664 KIGDFGMSRD674 IYSTDYYRVG684 GRTMLPIRWM694 PPESILYRKF704 TTESDVWSFG 714 VVLWEIFTYG724 KQPWYQLSNT734 EAIDCITQGR744 ELERPRACPP754 EVYAIMRGCW 764 QREPQQRHSI774 KDVHARLQAL784 AQAPPVYLDV794 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OOD or .OOD2 or .OOD3 or :3OOD;style chemicals stick;color identity;select .A:516 or .A:524 or .A:542 or .A:544 or .A:559 or .A:560 or .A:563 or .A:564 or .A:567 or .A:572 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:641 or .A:646 or .A:648 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
4.396
VAL524
4.101
ALA542
3.358
LYS544
3.088
ARG559
4.987
GLU560
3.291
LEU563
3.857
LEU564
3.724
LEU567
4.466
ILE572
3.774
VAL573
4.078
PHE589
3.363
|
|||||
| Ligand Name: Mesotartaric acid | Ligand Info | |||||
| Structure Description | TRK-A IN COMPLEX WITH LIGAND | PDB:6PME | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [12] |
| PDB Sequence |
ACVHHIKRRD
509 IVLKWELGEG519 AFGKVFLAEC529 HNKMLVAVKA545 LKEASESARQ555 DFQREAELLT 565 MLQHQHIVRF575 FGVCTEGRPL585 LMVFEYMRHG595 DLNRFLRSHG605 PDGPLGLGQL 627 LAVASQVAAG637 MVYLAGLHFV647 HRDLATRNCL657 VGQGLVVKIG667 DFGMSRDIYT 678 DYYRVTMLPI691 RWMPPESILY701 RKFTTESDVW711 SFGVVLWEIF721 TYGKQPWYQL 731 SNTEAIDCIT741 QGRELERPRA751 CPPEVYAIMR761 GCWQREPQQR771 HSIKDVHARL 781 QALAQAP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SRT or .SRT2 or .SRT3 or :3SRT;style chemicals stick;color identity;select .A:570 or .A:571 or .A:629 or .A:632 or .A:633 or .A:636 or .A:778 or .A:782; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide | Ligand Info | |||||
| Structure Description | TRK-A IN COMPLEX WITH LIGAND | PDB:6PME | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [12] |
| PDB Sequence |
ACVHHIKRRD
509 IVLKWELGEG519 AFGKVFLAEC529 HNKMLVAVKA545 LKEASESARQ555 DFQREAELLT 565 MLQHQHIVRF575 FGVCTEGRPL585 LMVFEYMRHG595 DLNRFLRSHG605 PDGPLGLGQL 627 LAVASQVAAG637 MVYLAGLHFV647 HRDLATRNCL657 VGQGLVVKIG667 DFGMSRDIYT 678 DYYRVTMLPI691 RWMPPESILY701 RKFTTESDVW711 SFGVVLWEIF721 TYGKQPWYQL 731 SNTEAIDCIT741 QGRELERPRA751 CPPEVYAIMR761 GCWQREPQQR771 HSIKDVHARL 781 QALAQAP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OOY or .OOY2 or .OOY3 or :3OOY;style chemicals stick;color identity;select .A:516 or .A:517 or .A:524 or .A:542 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:593 or .A:594 or .A:595 or .A:596 or .A:599 or .A:654 or .A:655 or .A:657 or .A:667 or .A:669 or .A:670 or .A:671 or .A:672; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
3.485
GLY517
4.158
VAL524
4.121
ALA542
3.484
VAL573
4.030
PHE589
3.450
GLU590
3.668
TYR591
3.693
MET592
2.575
ARG593
3.214
HIS594
4.148
|
|||||
| Ligand Name: 2-(4-Cyanophenyl)-N-{5-[7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-3-Yl}acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of TrkA in complex with PF-05247452 | PDB:5JFW | ||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | No | [3] |
| PDB Sequence |
MHHHHHHLVP
498 RGSVHHIKRR508 DIVLKWELGE518 GAFGKVFLAE528 CHNLLPEQDK538 MLVAVKALKE 548 ASESARQDFQ558 REAELLTMLQ568 HQHIVRFFGV578 CTEGRPLLMV588 FEYMRHGDLN 598 RFLRSHGPVA618 PGPLGLGQLL628 AVASQVAAGM638 VYLAGLHFVH648 RDLATRNCLV 658 GQGLVVKIGD668 FGLPIRWMPP696 ESILYRKFTT706 ESDVWSFGVV716 LWEIFTYGKQ 726 PWYQLSNTEA736 IDCITQGREL746 ERPRACPPEV756 YAIMRGCWQR766 EPQQRHSIKD 776 VHARLQALAQ786 APPVYLD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6K2 or .6K22 or .6K23 or :36K2;style chemicals stick;color identity;select .A:516 or .A:517 or .A:524 or .A:542 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:595 or .A:596 or .A:641 or .A:646 or .A:648 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
3.905
GLY517
4.080
VAL524
3.836
ALA542
3.431
LYS544
3.748
GLU560
3.967
LEU564
3.408
LEU567
3.712
ILE572
3.749
VAL573
3.840
PHE589
3.314
GLU590
3.403
|
|||||
| Ligand Name: N-{5-[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-3-Yl}-2-(4-Chlorophenyl)acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of TrkA in complex with PF-05206283 | PDB:5JFV | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [3] |
| PDB Sequence |
MHHHHHHLVP
498 RGSVHHIKRR508 DIVLKWELGE518 GAFGKVFLAE528 CHNLLPEQDK538 MLVAVKALKE 548 ASESARQDFQ558 REAELLTMLQ568 HQHIVRFFGV578 CTEGRPLLMV588 FEYMRHGDLN 598 RFLRSHGPVA618 PGPLGLGQLL628 AVASQVAAGM638 VYLAGLHFVH648 RDLATRNCLV 658 GQGLVVKIGD668 FGLPIRWMPP696 ESILYRKFTT706 ESDVWSFGVV716 LWEIFTYGKQ 726 PWYQLSNTEA736 IDCITQGREL746 ERPRACPPEV756 YAIMRGCWQR766 EPQQRHSIKD 776 VHARLQALAQ786 APPVYLD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6K1 or .6K12 or .6K13 or :36K1;style chemicals stick;color identity;select .A:516 or .A:517 or .A:524 or .A:542 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:595 or .A:596 or .A:641 or .A:646 or .A:648 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
4.080
GLY517
4.273
VAL524
3.793
ALA542
3.456
LYS544
3.834
GLU560
4.061
LEU564
3.489
LEU567
3.821
ILE572
3.866
VAL573
3.476
PHE589
3.320
GLU590
2.806
|
|||||
| Ligand Name: N-{4-[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-2-Yl}-N'-(2,4-Difluorophenyl)urea | Ligand Info | |||||
| Structure Description | Crystal structure of TrkA in complex with PF-00593174 | PDB:5JFS | ||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [3] |
| PDB Sequence |
MHHHHHHLVP
498 RGSVHHIKRR508 DIVLKWELGE518 GAFGKVFLAE528 CHNLLPEQDK538 MLVAVKALKE 548 ASESARQDFQ558 REAELLTMLQ568 HQHIVRFFGV578 CTEGRPLLMV588 FEYMRHGDLN 598 RFLRSHGPVA618 PGPLGLGQLL628 AVASQVAAGM638 VYLAGLHFVH648 RDLATRNCLV 658 GQGLVVKIGD668 FGLPIRWMPP696 ESILYRKFTT706 ESDVWSFGVV716 LWEIFTYGKQ 726 PWYQLSNTEA736 IDCITQGREL746 ERPRACPPEV756 YAIMRGCWQR766 EPQQRHSIKD 776 VHARLQALAQ786 APPVYLD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6K0 or .6K02 or .6K03 or :36K0;style chemicals stick;color identity;select .A:516 or .A:517 or .A:524 or .A:542 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:595 or .A:596 or .A:641 or .A:646 or .A:648 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
4.033
GLY517
4.292
VAL524
3.823
ALA542
3.435
LYS544
3.675
GLU560
4.891
LEU564
3.398
LEU567
3.676
ILE572
3.986
VAL573
3.410
PHE589
3.434
GLU590
2.803
|
|||||
| Ligand Name: 5-(1-methyl-1H-imidazol-4-yl)-2-[(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)oxy]benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 3. | PDB:6DKW | ||||
| Method | X-ray diffraction | Resolution | 2.91 Å | Mutation | No | [9] |
| PDB Sequence |
MHHHHHHLVP
498 RGSVHHIKRR508 DIVLKWELGE518 GAFGKVFLAE528 CHNLLPEQDK538 MLVAVKALKE 548 ASESARQDFQ558 REAELLTMLQ568 HQHIVRFFGV578 CTEGRPLLMV588 FEYMRHGDLN 598 RFLRSHGPDA608 KLLAGGEDGP621 LGLGQLLAVA631 SQVAAGMVYL641 AGLHFVHRDL 651 ATRNCLVGQG661 LVVKIGDFGL689 PIRWMPPESI699 LYRKFTTESD709 VWSFGVVLWE 719 IFTYGKQPWY729 QLSNTEAIDC739 ITQGRELERP749 RACPPEVYAI759 MRGCWQREPQ 769 QRHSIKDVHA779 RLQALAQAPP789 VYLD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GXA or .GXA2 or .GXA3 or :3GXA;style chemicals stick;color identity;select .A:516 or .A:517 or .A:524 or .A:542 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:574 or .A:589 or .A:590 or .A:591 or .A:592 or .A:593 or .A:594 or .A:595 or .A:599 or .A:641 or .A:646 or .A:648 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
2.973
GLY517
4.255
VAL524
3.185
ALA542
3.475
LYS544
3.279
GLU560
4.509
LEU564
3.653
LEU567
3.340
ILE572
3.022
VAL573
2.736
ARG574
4.562
PHE589
2.718
GLU590
2.175
TYR591
3.208
|
|||||
| Ligand Name: 4-tert-butyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide | Ligand Info | |||||
| Structure Description | TRK-A IN COMPLEX WITH LIGAND 1 | PDB:6NPT | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [10] |
| PDB Sequence |
IENCVHHIKR
507 RDIVLKWELG517 EGAFGKVFLA527 ECHNLLPEQD537 KMLVAVKALK547 EARQDFQREA 561 ELLTMLQHQH571 IVRFFGVCTE581 GRPLLMVFEY591 MRHGDLNRFL601 RSHGPGGEDV 617 APGPLGLGQL627 LAVASQVAAG637 MVYLAGLHFV647 HRDLATRNCL657 VGQGLVVKIG 667 DFGMSRDIYT678 DYYRVGGRTM688 LPIRWMPPES698 ILYRKFTTES708 DVWSFGVVLW 718 EIFTYGKQPW728 YQLSNTEAID738 CITQGRELER748 PRACPPEVYA758 IMRGCWQREP 768 QQRHSIKDVH778 ARLQALAQAP788 PVYLDVL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KWY or .KWY2 or .KWY3 or :3KWY;style chemicals stick;color identity;select .A:521 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:587 or .A:589 or .A:641 or .A:646 or .A:648 or .A:666 or .A:667 or .A:668 or .A:669 or .A:670 or .A:673; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(tert-Butyl)-2-((6,6-dimethyl-8-(methylsulfonamido)-11-oxo-6,11-dihydronaphtho[2,3-b]benzofuran-3-yl)ethynyl)-6-methylisonicotinamide | Ligand Info | |||||
| Structure Description | Crystal structure of Trk-A complexed with a selective inhibitor CH7057288 | PDB:5WR7 | ||||
| Method | X-ray diffraction | Resolution | 2.76 Å | Mutation | No | [14] |
| PDB Sequence |
HIIENPQYFS
498 DACVHHIKRR508 DIVLKWELGE518 GAFGKVFLAE528 CHNLLPEQDK538 MLVAVKALKE 548 ASESARQDFQ558 REAELLTMLQ568 HQHIVRFFGV578 CTEGRPLLMV588 FEYMRHGDLN 598 RFLRSHGPDA608 KLLAGGEDVA618 PGPLGLGQLL628 AVASQVAAGM638 VYLAGLHFVH 648 RDLATRNCLV658 GQGLVVKIGD668 FGMSRDIYTD679 YYRVGTMLPI691 RWMPPESILY 701 RKFTTESDVW711 SFGVVLWEIF721 TYGKQPWYQL731 SNTEAIDCIT741 QGRELERPRA 751 CPPEVYAIMR761 GCWQREPQQR771 HSIKDVHARL781 QALAQAPPVY791 L |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RCH or .RCH2 or .RCH3 or :3RCH;style chemicals stick;color identity;select .A:516 or .A:517 or .A:524 or .A:542 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:587 or .A:589 or .A:590 or .A:591 or .A:592 or .A:593 or .A:594 or .A:595 or .A:596 or .A:641 or .A:646 or .A:648 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
3.780
GLY517
4.057
VAL524
3.607
ALA542
3.432
LYS544
2.845
GLU560
3.535
LEU564
3.390
LEU567
3.867
ILE572
3.633
VAL573
3.794
MET587
4.567
PHE589
3.439
GLU590
3.608
TYR591
3.623
|
|||||
| Ligand Name: 6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine | Ligand Info | |||||
| Structure Description | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | PDB:4YNE | ||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [15] |
| PDB Sequence |
GSGIRVHHIK
506 RRDIVLKWEL516 GEGAFGKVFL526 AECHNLLPDK538 MLVAVKALKE548 RQDFQREAEL 563 LTMLQHQHIV573 RFFGVCTEGR583 PLLMVFEYMR593 HGDLNRFLRS603 HGPDAKLLAG 613 GEDVAPGPLG623 LGQLLAVASQ633 VAAGMVYLAG643 LHFVHRDLAT653 RNCLVGQGLV 663 VKIGDFGMST678 DYYRTMLPIR692 WMPPESILYR702 KFTTESDVWS712 FGVVLWEIFT 722 YGKQPWYQLS732 NTEAIDCITQ742 GRELERPRAC752 PPEVYAIMRG762 CWQREPQQRH 772 SIKDVHARLQ782 ALAQAPPVYL792 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 .4EK or .4EK2 or .4EK3 or :34EK;style chemicals stick;color identity;select .A:516 or .A:517 or .A:521 or .A:524 or .A:542 or .A:544 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:595 or .A:596 or .A:654 or .A:655 or .A:656 or .A:657 or .A:667 or .A:668; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{6-[(3r)-3-(3-Fluorophenyl)morpholin-4-Yl]imidazo[1,2-B]pyridazin-3-Yl}benzonitrile | Ligand Info | |||||
| Structure Description | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | PDB:4YPS | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [15] |
| PDB Sequence |
GSGIRVHHIK
506 RRDIVLKWEL516 GEGKVFLAEC529 HNLLDKMLVA542 VKALSESARQ555 DFQREAELLT 565 MLQHQHIVRF575 FGVCTEGRPL585 LMVFEYMRHG595 DLNRFLRSHG605 PDAKLLAGGE 615 DVAPGPLGLG625 QLLAVASQVA635 AGMVYLAGLH645 FVHRDLATRN655 CLVGQGLVVK 665 IGDMSRDIYS677 TDYYRVTMLP690 IRWMPPESIL700 YRKFTTESDV710 WSFGVVLWEI 720 FTYGKQPWYQ730 LSNTEAIDCI740 TQGRELERPR750 ACPPEVYAIM760 RGCWQREPQQ 770 RHSIKDVHAR780 LQALAQAPPV790
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4F6 or .4F62 or .4F63 or :34F6;style chemicals stick;color identity;select .A:516 or .A:517 or .A:518 or .A:522 or .A:524 or .A:542 or .A:544 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:593 or .A:595 or .A:596 or .A:654 or .A:655 or .A:656 or .A:657 or .A:668 or .A:671 or .A:672 or .A:673; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
3.282
GLY517
2.815
GLU518
3.487
GLY522
4.303
VAL524
3.060
ALA542
3.209
LYS544
4.014
VAL573
3.220
PHE589
2.830
GLU590
2.238
TYR591
3.055
MET592
2.546
|
|||||
| Ligand Name: N-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 10e | PDB:6J5L | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [16] |
| PDB Sequence |
SGIRVHHIKR
507 RDIVLKWELG517 EGAFGKVFLA527 ECHNLDKMLV541 AVKALKEASE551 SARQDFQREA 561 ELLTMLQHQH571 IVRFFGVCTE581 GRPLLMVFEY591 MRHGDLNRFL601 RSHGPDAKLL 611 AGGEDVAPGP621 LGLGQLLAVA631 SQVAAGMVYL641 AGLHFVHRDL651 ATRNCLVGQG 661 LVVKIGDFGI675 YSTDYYRVTM688 LPIRWMPPES698 ILYRKFTTES708 DVWSFGVVLW 718 EIFTYGKQPW728 YQLSNTEAID738 CITQGRELER748 PRACPPEVYA758 IMRGCWQREP 768 QQRHSIKDVH778 ARLQALAQAP788 PV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B9C or .B9C2 or .B9C3 or :3B9C;style chemicals stick;color identity;select .A:516 or .A:517 or .A:518 or .A:519 or .A:521 or .A:524 or .A:542 or .A:544 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:593 or .A:594 or .A:595 or .A:596 or .A:599 or .A:654 or .A:655 or .A:656 or .A:657 or .A:667 or .A:668; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
3.046
GLY517
3.355
GLU518
3.531
GLY519
3.875
PHE521
3.212
VAL524
3.157
ALA542
3.250
LYS544
4.324
VAL573
4.094
PHE589
3.845
GLU590
2.823
TYR591
3.824
|
|||||
| Ligand Name: TRK Inhibitor 7d | Ligand Info | |||||
| Structure Description | The crystal structure of TrkA kinase in complex with 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo- tetradecaphan-2-yne-45-carboxamide | PDB:7XAF | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [17] |
| PDB Sequence |
SDACVHHIKR
507 RDIVLKWELG517 EGAFGKVFLA527 ECHNKMLVAV543 KALKEARQDF557 QREAELLTML 567 QHQHIVRFFG577 VCTEGRPLLM587 VFEYMRHGDL597 NRFLRSHGPD607 AKAGGEDVAP 619 GPLGLGQLLA629 VASQVAAGMV639 YLAGLHFVHR649 DLATRNCLVG659 QGLVVKIGDF 669 GMSRDIYSTD679 YYRVGGRTML689 PIRWMPPESI699 LYRKFTTESD709 VWSFGVVLWE 719 IFTYGKQPWY729 QLSNTEAIDC739 ITQGRELERP749 RACPPEVYAI759 MRGCWQREPQ 769 QRHSIKDVHA779 RLQALAQAPP789 VYLDVLG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FKT or .FKT2 or .FKT3 or :3FKT;style chemicals stick;color identity;select .A:516 or .A:517 or .A:518 or .A:519 or .A:522 or .A:523 or .A:524 or .A:542 or .A:544 or .A:560 or .A:563 or .A:564 or .A:567 or .A:572 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:595 or .A:596 or .A:641 or .A:646 or .A:648 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669 or .A:670 or .A:671 or .A:675; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
3.607
GLY517
3.839
GLU518
3.058
GLY519
3.028
GLY522
4.021
LYS523
4.424
VAL524
3.564
ALA542
3.612
LYS544
3.157
GLU560
3.479
LEU563
3.704
LEU564
3.681
LEU567
3.080
ILE572
3.479
VAL573
3.733
PHE589
4.351
|
|||||
| Ligand Name: N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide | Ligand Info | |||||
| Structure Description | TRK-A IN COMPLEX WITH LIGAND 9 | PDB:6NSP | ||||
| Method | X-ray diffraction | Resolution | 2.31 Å | Mutation | No | [10] |
| PDB Sequence |
ACVHHIKRRD
509 IVLKWELGEG519 AFGKVFLAEC529 HNLLPEQDKM539 LVAVKALKEA549 SESARQDFQR 559 EAELLTMLQH569 QHIVRFFGVC579 TEGRPLLMVF589 EYMRHGDLNR599 FLRSHGPDAA 612 GGEDVAPGPL622 GLGQLLAVAS632 QVAAGMVYLA642 GLHFVHRDLA652 TRNCLVGQGL 662 VVKIGDFGMS672 RDIYSTDYYR682 VGGRTMLPIR692 WMPPESILYR702 KFTTESDVWS 712 FGVVLWEIFT722 YGKQPWYQLS732 NTEAIDCITQ742 GRELERPRAC752 PPEVYAIMRG 762 CWQREPQQRH772 SIKDVHARLQ782 ALAQAPPVYL792 DVL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L0P or .L0P2 or .L0P3 or :3L0P;style chemicals stick;color identity;select .A:521 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:587 or .A:589 or .A:641 or .A:646 or .A:648 or .A:666 or .A:667 or .A:668 or .A:669 or .A:670 or .A:673; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (6r)-3-(Methylsulfanyl)-6-Phenyl-1-(1h-Pyrazol-3-Yl)-6,7-Dihydrothieno[3,4-C]pyridin-4(5h)-One | Ligand Info | |||||
| Structure Description | TrkA with (6~{R})-3-methylsulfanyl-6-phenyl-1-(1~{H}-pyrazol-3-yl)-6,7-dihydro-5~{H}-thieno[3,4-c]pyridin-4-one | PDB:5I8A | ||||
| Method | X-ray diffraction | Resolution | 2.33 Å | Mutation | No | [18] |
| PDB Sequence |
CVHHIKRRDI
510 VLKWELGEGK523 VFLAECHNKM539 LVAVKALKDF557 QREAELLTML567 QHQHIVRFFG 577 VCTEGRPLLM587 VFEYMRHGDL597 NRFLRSHGPD607 AKLLAGGEDV617 APGPLGLGQL 627 LAVASQVAAG637 MVYLAGLHFV647 HRDLATRNCL657 VGQGLVVKIG667 DFGSRDIYST 678 DYYRVTMLPI691 RWMPPESILY701 RKFTTESDVW711 SFGVVLWEIF721 TYGKQPWYQL 731 SNTEAIDCIT741 QGRELERPRA751 CPPEVYAIMR761 GCWQREPQQR771 HSIKDVHARL 781 QALAQAHHHH791
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .69C or .69C2 or .69C3 or :369C;style chemicals stick;color identity;select .A:516 or .A:517 or .A:518 or .A:524 or .A:542 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:593 or .A:594 or .A:595 or .A:596 or .A:657 or .A:668 or .A:672 or .A:673; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[[4-Azanyl-3-(4-cyclohexylpiperazin-1-yl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of TrkA kinase with ligand | PDB:6IQN | ||||
| Method | X-ray diffraction | Resolution | 2.54 Å | Mutation | No | [19] |
| PDB Sequence |
SVHHIKRRDI
510 VLKWELGEGA520 FGKVFLAECH530 NLLPKMLVAV543 KALKESARQD556 FQREAELLTM 566 LQHQHIVRFF576 GVCTEGRPLL586 MVFEYMRHGD596 LNRFLRSHGP606 DAKLLAGGED 616 VAPGPLGLGQ626 LLAVASQVAA636 GMVYLAGLHF646 VHRDLATRNC656 LVGQGLVVKI 666 GDFTDYYRTM688 LPIRWMPPES698 ILYRKFTTES708 DVWSFGVVLW718 EIFTYGKQPW 728 YQLSNTEAID738 CITQGRELER748 PRACPPEVYA758 IMRGCWQREP768 QQRHSIKDVH 778 ARLQALAQAP788 PV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AQ6 or .AQ62 or .AQ63 or :3AQ6;style chemicals stick;color identity;select .A:516 or .A:517 or .A:518 or .A:519 or .A:524 or .A:542 or .A:544 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:593 or .A:594 or .A:595 or .A:596 or .A:599 or .A:611 or .A:612 or .A:657; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
3.996
GLY517
3.511
GLU518
3.681
GLY519
4.706
VAL524
3.615
ALA542
3.315
LYS544
4.308
VAL573
4.063
PHE589
3.645
GLU590
3.241
|
|||||
| Ligand Name: 1-Cyclopropyl-1-[3-(1,3-Thiazol-2-Yl)benzyl]-3-[4-(Trifluoromethoxy)phenyl]urea | Ligand Info | |||||
| Structure Description | The structure of TrkA kinase bound to the inhibitor 1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea | PDB:4PMP | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [20] |
| PDB Sequence |
CVHHIKRRDI
510 VLKWELGEGA520 FGKVFLAECH530 NLLKMLVAVK544 ALKSARQDFQ558 REAELLTMLQ 568 HQHIVRFFGV578 CTEGRPLLMV588 FEYMRHGDLN598 RFLRSHGPDA608 KLLAGGEDVA 618 PGPLGLGQLL628 AVASQVAAGM638 VYLAGLHFVH648 RDLATRNCLV658 GQGLVVKIGD 668 FGMSRIYSTD679 YYRVGTMLPI691 RWMPPESILY701 RKFTTESDVW711 SFGVVLWEIF 721 TYGKQPWYQL731 SNTEAIDCIT741 QGRELERPRA751 CPPEVYAIMR761 GCWQREPQQR 771 HSIKDVHARL781 QALAQAHHHH791
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .31W or .31W2 or .31W3 or :331W;style chemicals stick;color identity;select .A:516 or .A:524 or .A:542 or .A:544 or .A:560 or .A:564 or .A:567 or .A:572 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:593 or .A:595 or .A:641 or .A:646 or .A:648 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
4.001
VAL524
3.825
ALA542
3.372
LYS544
3.844
GLU560
4.541
LEU564
3.490
LEU567
3.294
ILE572
4.232
VAL573
3.117
PHE589
3.624
GLU590
3.273
TYR591
3.542
|
|||||
| Ligand Name: N-(3-Cyclopropyl-1-Phenyl-1h-Pyrazol-5-Yl)-2-{4-[3-Methoxy-4-(4-Methyl-1h-Imidazol-1-Yl)phenyl]-1h-1,2,3-Triazol-1-Yl}acetamide | Ligand Info | |||||
| Structure Description | The structure of TrkA kinase bound to the inhibitor N-(3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}acetamide | PDB:4PMM | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [20] |
| PDB Sequence |
CVHHIKRRDI
510 VLKWELGEGA520 FGKVFLAECH530 NLLDKMLVAV543 KALKESARQD556 FQREAELLTM 566 LQHQHIVRFF576 GVCTEGRPLL586 MVFEYMRHGD596 LNRFLRSHGP606 DAKLLAGGED 616 VAPGPLGLGQ626 LLAVASQVAA636 GMVYLAGLHF646 VHRDLATRNC656 LVGQGLVVKI 666 GDFGMSRDIY676 STDYYRVGGR686 TMLPIRWMPP696 ESILYRKFTT706 ESDVWSFGVV 716 LWEIFTYGKQ726 PWYQLSNTEA736 IDCITQGREL746 ERPRACPPEV756 YAIMRGCWQR 766 EPQQRHSIKD776 VHARLQALAQ786 AHHHH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .31V or .31V2 or .31V3 or :331V;style chemicals stick;color identity;select .A:516 or .A:524 or .A:542 or .A:544 or .A:560 or .A:563 or .A:564 or .A:567 or .A:572 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:595 or .A:641 or .A:646 or .A:648 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669 or .A:671; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
3.748
VAL524
3.930
ALA542
3.419
LYS544
2.915
GLU560
2.848
LEU563
3.553
LEU564
3.598
LEU567
3.540
ILE572
4.169
VAL573
4.013
PHE589
3.572
GLU590
3.342
|
|||||
| Ligand Name: N~4~-[4-(Morpholin-4-Yl)phenyl]-N~6~-(Pyridin-3-Ylmethyl)pyrido[3,2-D]pyrimidine-4,6-Diamine | Ligand Info | |||||
| Structure Description | The structure of TrkA kinase bound to the inhibitor N~4~-(4-morpholin-4-ylphenyl)-N~6~-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-4,6-diamine | PDB:4PMT | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [20] |
| PDB Sequence |
CVHHIKRRDI
510 VLKWELGEGA520 FGKVFLAECH530 NLDKMLVAVK544 ALDFQREAEL563 LTMLQHQHIV 573 RFFGVCTEGR583 PLLMVFEYMR593 HGDLNRFLRS603 HGPDAKLLAG613 GEDVAPGPLG 623 LGQLLAVASQ633 VAAGMVYLAG643 LHFVHRDLAT653 RNCLVGQGLV663 VKIGDFSRDI 675 YSTDYYRVTM688 LPIRWMPPES698 ILYRKFTTES708 DVWSFGVVLW718 EIFTYGKQPW 728 YQLSNTEAID738 CITQGRELER748 PRACPPEVYA758 IMRGCWQREP768 QQRHSIKDVH 778 ARLQALAQAH788 HHH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .31Y or .31Y2 or .31Y3 or :331Y;style chemicals stick;color identity;select .A:516 or .A:517 or .A:518 or .A:524 or .A:542 or .A:544 or .A:573 or .A:589 or .A:590 or .A:591 or .A:592 or .A:593 or .A:595 or .A:596 or .A:599 or .A:654 or .A:655 or .A:656 or .A:657 or .A:667 or .A:668 or .A:673; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
3.315
GLY517
3.729
GLU518
4.161
VAL524
3.763
ALA542
3.420
LYS544
3.925
VAL573
4.218
PHE589
3.579
GLU590
3.216
TYR591
3.855
MET592
2.967
|
|||||
| Ligand Name: 4-(Naphthalen-1-Yl)-1-[(5-Phenyl-1,2,4-Oxadiazol-3-Yl)methyl]-1h-Pyrrolo[3,2-C]pyridine-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | The structure of TrkA kinase bound to the inhibitor 4-naphthalen-1-yl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid | PDB:4PMS | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [20] |
| PDB Sequence |
CVHHIKRRDI
510 VLKWELGEGA520 FGKVFLAECH530 NLLDKMLVAV543 KALKESARQD556 FQREAELLTM 566 LQHQHIVRFF576 GVCTEGRPLL586 MVFEYMRHGD596 LNRFLRSHGP606 DAKLLAGGED 616 VAPGPLGLGQ626 LLAVASQVAA636 GMVYLAGLHF646 VHRDLATRNC656 LVGQGLVVKI 666 GDFGMSRDIY676 STDYYRVRTM688 LPIRWMPPES698 ILYRKFTTES708 DVWSFGVVLW 718 EIFTYGKQPW728 YQLSNTEAID738 CITQGRELER748 PRACPPEVYA758 IMRGCWQREP 768 QQRHSIKDVH778 ARLQALAQAH788 HHH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .31X or .31X2 or .31X3 or :331X;style chemicals stick;color identity;select .A:516 or .A:524 or .A:542 or .A:544 or .A:560 or .A:564 or .A:572 or .A:573 or .A:589 or .A:590 or .A:591 or .A:595 or .A:596 or .A:654 or .A:657 or .A:666 or .A:667 or .A:668 or .A:669 or .A:670 or .A:671 or .A:672 or .A:675; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU516
3.818
VAL524
3.320
ALA542
3.654
LYS544
2.804
GLU560
4.035
LEU564
3.705
ILE572
3.724
VAL573
3.279
PHE589
3.248
GLU590
3.933
TYR591
4.253
GLY595
4.507
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Antitumor Activity and Safety of the Pan-TRK, ROS1, and ALK inhibitor Entrectinib (RXDX-101): Combined Results from Two Phase I Trials | ||||
| REF 2 | Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations. Mol Cancer Ther. 2021 Dec;20(12):2446-2456. | ||||
| REF 3 | The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain. J Med Chem. 2016 Nov 23;59(22):10084-10099. | ||||
| REF 4 | Discovery of Disubstituted Imidazo[4,5-b]pyridines and Purines as Potent TrkA Inhibitors. ACS Med Chem Lett. 2012 Jul 26;3(9):705-9. | ||||
| REF 5 | Lead identification and characterization of hTrkA type 2 inhibitors. Bioorg Med Chem Lett. 2019 Nov 15;29(22):126680. | ||||
| REF 6 | Structural characterization of nonactive site, TrkA-selective kinase inhibitors. Proc Natl Acad Sci U S A. 2017 Jan 17;114(3):E297-E306. | ||||
| REF 7 | The juxtamembrane region of TrkA kinase is critical for inhibitor selectivity. Bioorg Med Chem Lett. 2017 Mar 1;27(5):1233-1236. | ||||
| REF 8 | Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors. J Med Chem. 2019 Jan 10;62(1):247-265. | ||||
| REF 9 | Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain. J Med Chem. 2018 Aug 9;61(15):6779-6800. | ||||
| REF 10 | Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors. ACS Chem Biol. 2019 Jun 21;14(6):1205-1216. | ||||
| REF 11 | In Pursuit of an Allosteric Human Tropomyosin Kinase A (hTrkA) Inhibitor for Chronic Pain. doi:10.1021/acsmedchemlett.1c00483. | ||||
| REF 12 | Synthetic inhibitor leads of human tropomyosin receptor kinase A (hTrkA). RSC Med Chem. 2020 Jan 10;11(3):370-377. | ||||
| REF 13 | Type 2 inhibitor leads of human tropomyosin receptor kinase (hTrkA). Bioorg Med Chem Lett. 2019 Oct 1;29(19):126624. | ||||
| REF 14 | Selective TRK Inhibitor CH7057288 against TRK Fusion-Driven Cancer. Mol Cancer Ther. 2018 Dec;17(12):2519-2529. | ||||
| REF 15 | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. ACS Med Chem Lett. 2015 Mar 16;6(5):562-7. | ||||
| REF 16 | The discovery of novel 3-aryl-indazole derivatives as peripherally restricted pan-Trk inhibitors for the treatment of pain. Bioorg Med Chem Lett. 2019 Aug 15;29(16):2320-2326. | ||||
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