Binding Site Information of Target
Target General Information | Top | ||||
---|---|---|---|---|---|
Target ID | T73694 | Target Info | |||
Target Name | Tyrosine-protein kinase BRK (PTK6) | ||||
Synonyms | Protein-tyrosine kinase 6; Breast tumor kinase; BRK | ||||
Target Type | Clinical trial Target | ||||
Gene Name | PTK6 | ||||
Biochemical Class | Kinase | ||||
UniProt ID |
Drug Binding Sites of Target | Top | |||||
---|---|---|---|---|---|---|
Ligand Name: Dasatinib | Ligand Info | |||||
Structure Description | Crystal structure of PTK6 Kinase Domain complexed with Dasatinib | PDB:5H2U | ||||
Method | X-ray diffraction | Resolution | 2.24 Å | Mutation | Yes | [1] |
PDB Sequence |
ERPREEFTLC
194 RKLGSGYFGE204 VFEGLWKDRV214 QVAIKVISRD224 NLLHQQMLQS234 EIQAMKKLRH 244 KHILALYAVV254 SVGDPVYIIT264 ELMAKGSLLE274 LLRSDEKVLP285 VSELLDIAWQ 295 VAEGMCYLES305 QNYIHRDLAA315 RNILVGENTL325 CKVGDFGLAR335 LIKEDVYLSH 345 DHNIPYKWTA355 PEALSRGHYS365 TKSDVWSFGI375 LLHEMFSRGQ385 VPYPGMSNHE 395 AFLRVDAGYR405 MPCPLECPPS415 VHKLMLTCWC425 RDPEQRPTFK435 ALRERLSSFT 445 SHHHH
|
|||||
|
ARG195
4.915
LEU197
3.637
GLY198
4.829
VAL205
3.536
ALA217
3.114
ILE218
3.682
LYS219
3.099
LEU248
3.668
LEU250
4.694
ILE262
3.246
ILE263
4.133
THR264
3.065
|
|||||
Ligand Name: N-carboxymethionine | Ligand Info | |||||
Structure Description | Crystal structure of PTK6 Kinase domain with inhibitor | PDB:5DA3 | ||||
Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [1] |
PDB Sequence |
ERPREEFTLC
194 RKLGSGYFGE204 VFEGLWKDRV214 QVAIKVISRD224 NLLHQMLQSE235 IQAMKKLRHK 245 HILALYAVVS255 VGDPVYIITE265 LMAKGSLLEL275 LRDSDEKVLP285 VSELLDIAWQ 295 VAEGMCYLES305 QNYIHRDLAA315 RNILVGENTL325 CKVGDFGLAR335 LIKEDVYLSH 345 DHNIPYKWTA355 PEALSRGHYS365 TKSDVWSFGI375 LLHEMFSRGQ385 VPYPGMSNHE 395 AFLRVDAGYR405 MPCPLECPPS415 VHKLMLTCWC425 RDPEQRPTFK435 ALRERLSSFT 445 SHH
|
|||||
|
||||||
Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
Ligand Name: (2-Chloro-4-{[6-Cyclopropyl-3-(1h-Pyrazol-4-Yl)imidazo[1,2-A]pyrazin-8-Yl]amino}phenyl)(Morpholin-4-Yl)methanone | Ligand Info | |||||
Structure Description | Crystal structure of PTK6 Kinase domain with inhibitor | PDB:5DA3 | ||||
Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [1] |
PDB Sequence |
ERPREEFTLC
194 RKLGSGYFGE204 VFEGLWKDRV214 QVAIKVISRD224 NLLHQMLQSE235 IQAMKKLRHK 245 HILALYAVVS255 VGDPVYIITE265 LMAKGSLLEL275 LRDSDEKVLP285 VSELLDIAWQ 295 VAEGMCYLES305 QNYIHRDLAA315 RNILVGENTL325 CKVGDFGLAR335 LIKEDVYLSH 345 DHNIPYKWTA355 PEALSRGHYS365 TKSDVWSFGI375 LLHEMFSRGQ385 VPYPGMSNHE 395 AFLRVDAGYR405 MPCPLECPPS415 VHKLMLTCWC425 RDPEQRPTFK435 ALRERLSSFT 445 SHH
|
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .58V or .58V2 or .58V3 or :358V;style chemicals stick;color identity;select .A:195 or .A:196 or .A:197 or .A:198 or .A:205 or .A:207 or .A:217 or .A:219 or .A:248 or .A:264 or .A:265 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:319 or .A:330; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
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 | Structure of the PTK6 kinase domain bound to a type II inhibitor 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide | PDB:6CZ4 | ||||
Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [2] |
PDB Sequence |
DAERPREEFT
192 LCRKLGSGYF202 GEVFEGLWKD212 RVQVAIKVIS222 RDNLLHQQML232 QSEIQAMKKL 242 RHKHILALYA252 VVSVGDPVYI262 ITELMAKGSL272 LELLRDSDEK282 VLPVSELLDI 292 AWQVAEGMCY302 LESQNYIHRD312 LAARNILVGE322 NTLCKVGDFG332 LARLIKEDVY 342 LSHPYKWTAP356 EALSRGHYST366 KSDVWSFGIL376 LHEMFSRGQV386 PYPGMSNHEA 396 FLRVDAGYRM406 PCPLECPPSV416 HKLMLTCWCR426 DPEQRPCFKA436 LRERLSS |
|||||
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:197 or .A:198 or .A:205 or .A:217 or .A:219 or .A:239 or .A:242 or .A:247 or .A:248 or .A:264 or .A:265 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:303 or .A:308 or .A:310 or .A:319 or .A:328 or .A:329 or .A:330 or .A:331 or .A:333; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU197
3.279
GLY198
4.088
VAL205
3.794
ALA217
3.388
LYS219
4.588
MET239
3.548
LEU242
3.523
ILE247
3.493
LEU248
3.319
THR264
3.131
GLU265
3.141
LEU266
3.540
MET267
2.610
|
|||||
Ligand Name: [3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone | Ligand Info | |||||
Structure Description | Structure of the PTK6 kinase domain bound to a type I inhibitor (3-fluoro-4-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone | PDB:6CZ3 | ||||
Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [2] |
PDB Sequence |
DDAERPREEF
191 TLCRKLGSGY201 FGEVFEGLWK211 DRVQVAIKVI221 SRDNLLHQQM231 LQSEIQAMKK 241 LRHKHILALY251 AVVSVGDPVY261 IITELMAKGS271 LLELLRDSDE281 KVLPVSELLD 291 IAWQVAEGMC301 YLESQNYIHR311 DLAARNILVG321 ENTLCKVGDF331 GLARLIKEDV 341 YLSHDHNIPY351 KWTAPEALSR361 GHYSTKSDVW371 SFGILLHEMF381 SRGQVPYPGM 391 SNHEAFLRVD401 AGYRMPCPLE411 CPPSVHKLML421 TCWCRDPEQR431 PCFKALRERL 441 SS
|
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FLJ or .FLJ2 or .FLJ3 or :3FLJ;style chemicals stick;color identity;select .A:195 or .A:197 or .A:198 or .A:205 or .A:217 or .A:219 or .A:248 or .A:264 or .A:265 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:319 or .A:329 or .A:330; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
References | Top | ||||
---|---|---|---|---|---|
REF 1 | Co-crystal structures of PTK6: With Dasatinib at 2.24??, with novel imidazo[1,2-a]pyrazin-8-amine derivative inhibitor at 1.70?? resolution. Biochem Biophys Res Commun. 2017 Jan 22;482(4):1289-1295. | ||||
REF 2 | Small molecule inhibitors reveal PTK6 kinase is not an oncogenic driver in breast cancers. PLoS One. 2018 Jun 7;13(6):e0198374. |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.