Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T73725 | Target Info | |||
| Target Name | CDC-like kinase 2 (CLK2) | ||||
| Synonyms | Dual specificity protein kinase CLK2 | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | CLK2 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: CX-4945 | Ligand Info | |||||
| Structure Description | X-ray structure of CLK2-KD(136-496)/CX-4945 at 1.95A | PDB:6FYL | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [1] |
| PDB Sequence |
EDDAEGHLIY
153 HVGDWLQERY163 EIVSTLGEGT173 FGRVVQCVDH183 RRGGARVALK193 IIKNVEKYKE 203 AARLEINVLE213 KINEKDPDNK223 NLCVQMFDWF233 DYHGHMCISF243 ELLGLSTFDF 253 LKDNNYLPYP263 IHQVRHMAFQ273 LCQAVKFLHD283 NKLTHTDLKP293 ENILFVNSDY 303 ELTYNLEKKR313 DERSVKSTAV323 RVVDFGSATF333 DHEHHSTIVS343 TRHYRAPEVI 353 LELGWSQPCD363 VWSIGCIIFE373 YYVGFTLFQT383 HDNREHLAMM393 ERILGPIPSR 403 MIRKTRKQKY413 FYRGRLDWDE423 NTSAGRYVRE433 NCKPLRRYLT443 SEAEEHHQLF 453 DLIESMLEYE463 PAKRLTLGEA473 LQHPFFARLR483
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LEU169
3.665
GLY170
3.585
GLU171
3.490
GLY172
3.906
PHE174
3.189
GLY175
4.499
ARG176
4.851
VAL177
3.708
ALA191
3.393
LYS193
3.054
GLU208
4.254
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: TG003 | Ligand Info | |||||
| Structure Description | X-ray Structure of CLK2-KD(130-496)/TG003 at 2.6A | PDB:6FYI | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
EGHLIYHVGD
157 WLQERYEIVS167 TLGEGTFGRV177 VQCVDHRRGG187 ARVALKIIKN197 VEKYKEAARL 207 EINVLEKINE217 KDPDNKNLCV227 QMFDWFDYHG237 HMCISFELLG247 LSTFDFLKDN 257 NYLPYPIHQV267 RHMAFQLCQA277 VKFLHDNKLT287 HTDLKPENIL297 FVNSDYELTY 307 NLEKKRDERS317 VKSTAVRVVD327 FGSATFDHEH337 HSTIVSTRHY347 RAPEVILELG 357 WSQPCDVWSI367 GCIIFEYYVG377 FTLFQTHDNR387 EHLAMMERIL397 GPIPSRMIRK 407 TRKQKYFYRG417 RLDWDENTSA427 GRYVRENCKP437 LRRYLTSEAE447 EHHQLFDLIE 457 SMLEYEPAKR467 LTLGEALQHP477 FFARLR
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| Ligand Name: N~2~-methyl-N~4~-[(pyrimidin-2-yl)methyl]-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | Ligand Info | |||||
| Structure Description | Structure of CDC2-Like Kinase 2 (CLK2) in Complex with Compound T-025 [N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine] | PDB:5UNP | ||||
| Method | X-ray diffraction | Resolution | 2.92 Å | Mutation | No | [2] |
| PDB Sequence |
SRRAKSVEDD
146 AEGHLIYHVG156 DWLQERYEIV166 STLGEGTFGR176 VVQCVDHRRG186 GARVALKIIK 196 NVEKYKEAAR206 LEINVLEKIN216 EKDPDNKNLC226 VQMFDWFDYH236 GHMCISFELL 246 GLSTFDFLKD256 NNYLPYPIHQ266 VRHMAFQLCQ276 AVKFLHDNKL286 THTDLKPENI 296 LFVNSDYELT306 YNLEKKRDER316 SVKSTAVRVV326 DFGSATFDHE336 HHSTIVSTRH 346 YRAPEVILEL356 GWSQPCDVWS366 IGCIIFEYYV376 GFTLFQTHDN386 REHLAMMERI 396 LGPIPSRMIR406 KTRKQKYFYR416 GRLDWDENTS426 AGRYVRENCK436 PLRRYLTSEA 446 EEHHQLFDLI456 ESMLEYEPAK466 RLTLGEALQH476 PFFARLR
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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 .8FY or .8FY2 or .8FY3 or :38FY;style chemicals stick;color identity;select .A:169 or .A:170 or .A:171 or .A:172 or .A:174 or .A:177 or .A:191 or .A:193 or .A:208 or .A:227 or .A:243 or .A:244 or .A:245 or .A:246 or .A:247 or .A:248 or .A:294 or .A:295 or .A:297 or .A:326 or .A:327; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU169
3.534
GLY170
3.482
GLU171
3.261
GLY172
4.819
PHE174
3.898
VAL177
3.660
ALA191
3.709
LYS193
2.960
GLU208
4.519
VAL227
3.848
PHE243
3.631
|
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| Ligand Name: (5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one | Ligand Info | |||||
| Structure Description | Structure of human CDC2-like kinase 2 (CLK2) | PDB:3NR9 | ||||
| Method | X-ray diffraction | Resolution | 2.89 Å | Mutation | No | [3] |
| PDB Sequence |
SRRAKSVEDD
146 AEGHLIYHVG156 DWLQERYEIV166 STLGEGTFGR176 VVQCVDHRRG186 GARVALKIIK 196 NVEKYKEAAR206 LEINVLEKIN216 EKDPDNKNLC226 VQMFDWFDYH236 GHMCISFELL 246 GLSTFDFLKD256 NNYLPYPIHQ266 VRHMAFQLCQ276 AVKFLHDNKL286 THTDLKPENI 296 LFVNSDYELT306 DERSVKSTAV323 RVVDFGSATF333 DHEHHSTIVS343 TRHYRAPEVI 353 LELGWSQPCD363 VWSIGCIIFE373 YYVGFTLFQT383 HDNREHLAMM393 ERILGPIPSR 403 MIRKTRKQKY413 FYRGRLDWDE423 NTSAGRYVRE433 NCKPLRRYLT443 SEAEEHHQLF 453 DLIESMLEYE463 PAKRLTLGEA473 LQHPFFARLR483 A
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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 .NR9 or .NR92 or .NR93 or :3NR9;style chemicals stick;color identity;select .A:169 or .A:171 or .A:172 or .A:174 or .A:177 or .A:191 or .A:193 or .A:208 or .A:227 or .A:243 or .A:244 or .A:245 or .A:246 or .A:247 or .A:294 or .A:295 or .A:297 or .A:326 or .A:327; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2~{S})-4-methyl-1-[5-(3-methyl-2~{H}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine | Ligand Info | |||||
| Structure Description | X-Ray structure of CLK2-KD(136-496)/Indazole1 at 2.39A | PDB:6FYK | ||||
| Method | X-ray diffraction | Resolution | 2.39 Å | Mutation | No | [1] |
| PDB Sequence |
SRRAKSVEDD
146 AEGHLIYHVG156 DWLQERYEIV166 STLGEGTFGR176 VVQCVDHRRG186 GARVALKIIK 196 NVEKYKEAAR206 LEINVLEKIN216 EKDPDNKNLC226 VQMFDWFDYH236 GHMCISFELL 246 GLSTFDFLKD256 NNYLPYPIHQ266 VRHMAFQLCQ276 AVKFLHDNKL286 THTDLKPENI 296 LFVNSDYELT306 YNLEKKRDER316 SVKSTAVRVV326 DFGSATFDHE336 HHSTIVSTRH 346 YRAPEVILEL356 GWSQPCDVWS366 IGCIIFEYYV376 GFTLFQTHDN386 REHLAMMERI 396 LGPIPSRMIR406 KTRKQKYFYR416 GRLDWDENTS426 AGRYVRENCK436 PLRRYLTSEA 446 EEHHQLFDLI456 ESMLEYEPAK466 RLTLGEALQH476 PFFARLRAE
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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 .EAZ or .EAZ2 or .EAZ3 or :3EAZ;style chemicals stick;color identity;select .A:169 or .A:170 or .A:171 or .A:172 or .A:174 or .A:177 or .A:191 or .A:193 or .A:208 or .A:227 or .A:243 or .A:244 or .A:245 or .A:246 or .A:247 or .A:292 or .A:294 or .A:295 or .A:297 or .A:326 or .A:327; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU169
3.861
GLY170
4.354
GLU171
3.210
GLY172
4.048
PHE174
3.603
VAL177
4.002
ALA191
3.390
LYS193
3.024
GLU208
4.200
VAL227
3.716
PHE243
3.519
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome. ChemMedChem. 2018 Sep 19;13(18):1997-2007. | ||||
| REF 2 | A novel CLK inhibitor exhibits anti-tumor efficacies via modulating pre-mRNA splicing and targeting a MYC-dependent vulnerability | ||||
| REF 3 | Structure of human CDC2-like kinase 2 (CLK2) | ||||
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