Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T99990 | Target Info | |||
| Target Name | Tyrosine-protein kinase BMX (BMX) | ||||
| Synonyms | NTK38; Epithelial and endothelial tyrosine kinase; ETK; Cytoplasmic tyrosine-protein kinase BMX; Bone marrow tyrosine kinase gene in chromosome X protein | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | BMX | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Dasatinib | Ligand Info | |||||
| Structure Description | Crystal structure of BMX non-receptor tyrosine kinase complex with dasatinib | PDB:3SXR | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [1] |
| PDB Sequence |
GHMELKREEI
417 TLLKELGSVV431 KLGKWKGQYD441 VAVKMIKEGS451 MSEDEFFQEA461 QTMMKLSHPK 471 LVKFYGVCSK481 EYPIYIVTEY491 ISNGCLLNYL501 RSHGKGLEPS511 QLLEMCYDVC 521 EGMAFLESHQ531 FIHRDLAARN541 CLVDRDLCVK551 VSDFGMTRYV561 LDDQYVSSVG 571 TKFPVKWSAP581 EVFHYFKYSS591 KSDVWAFGIL601 MWEVFSLGKM611 PYDLYTNSEV 621 VLKVSQGHRL631 YRPHLASDTI641 YQIMYSCWHE651 LPEKRPTFQQ661 LLSSIEPLRE 671
|
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|
|
LEU423
3.441
GLY424
4.095
VAL431
3.597
ALA443
3.367
VAL444
3.962
LYS445
3.496
MET464
3.907
VAL473
3.736
ILE487
3.419
VAL488
4.722
THR489
2.912
|
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| Ligand Name: ISIS-CRP | Ligand Info | |||||
| Structure Description | Crystal structure of BMX non-receptor tyrosine kinase complexed with PP2 | PDB:3SXS | ||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | Yes | [1] |
| PDB Sequence |
GHMELKREEI
417 TLLKELGSGQ427 FGVVKLGKWK437 GQYDVAVKMI447 KEGSMSEDEF457 FQEAQTMMKL 467 SHPKLVKFYG477 VCSKEYPIYI487 VTEYISNGCL497 LNYLRSHGKG507 LEPSQLLEMC 517 YDVCEGMAFL527 ESHQFIHRDL537 AARNCLVDRD547 LCVKVSDFGM557 TRYVLDDQYV 567 SSVGTKFPVK577 WSAPEVFHYF587 KYSSKSDVWA597 FGILMWEVFS607 LGKMPYDLYT 617 NSEVVLKVSQ627 GHRLYRPHLA637 SDTIYQIMYS647 CWHELPEKRP657 TFQQLLSSIE 667 PLRE
|
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LEU423
3.511
GLY424
3.881
SER425
3.670
GLY426
4.546
GLN427
4.190
VAL431
3.640
ALA443
3.252
VAL444
4.873
LYS445
3.521
MET464
4.175
VAL473
4.200
|
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| Ligand Name: 3-hydroxy-N-[5-[8-[4-(methanesulfonamido)phenyl]-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]propanamide | Ligand Info | |||||
| Structure Description | Bone Marrow Tyrosine Kinase in Chromosome X in complex with a newly designed covalent inhibitor JS24 | PDB:6I99 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [2] |
| PDB Sequence |
LYFQGELKRE
415 EITLLKELGS425 GQFGVVKLGK435 WKGQYDVAVK445 MIKEGSMSED455 EFFQEAQTMM 465 KLSHPKLVKF475 YGVCSKEYPI485 YIVTEYISNG495 CLLNYLRSHG505 KGLEPSQLLE 515 MCYDVCEGMA525 FLESHQFIHR535 DLAARNCLVD545 RDLCVKVSDF555 GMTRYVLDDQ 565 YVSSVGTKFP575 VKWSAPEVFH585 YFKYSSKSDV595 WAFGILMWEV605 FSLGKMPYDL 615 YTNSEVVLKV625 SQGHRLYRPH635 LASDTIYQIM645 YSCWHELPEK655 RPTFQQLLSS 665 IEPLRE
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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 .H88 or .H882 or .H883 or :3H88;style chemicals stick;color identity;select .A:421 or .A:423 or .A:424 or .A:425 or .A:426 or .A:431 or .A:443 or .A:445 or .A:473 or .A:489 or .A:490 or .A:491 or .A:492 or .A:493 or .A:494 or .A:495 or .A:496 or .A:498 or .A:499 or .A:539 or .A:540 or .A:541 or .A:543 or .A:553; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS421
4.229
LEU423
2.823
GLY424
2.618
SER425
3.129
GLY426
3.106
VAL431
2.206
ALA443
3.038
LYS445
2.671
VAL473
2.810
THR489
2.215
GLU490
2.591
TYR491
2.616
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | X-ray crystal structure of bone marrow kinase in the x chromosome: a Tec family kinase. Chem Biol Drug Des. 2011 Nov;78(5):739-48. | ||||
| REF 2 | Structural and biophysical insights into the mode of covalent binding of rationally designed potent BMX inhibitors. doi:10.1039/D0CB00033G. | ||||
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