Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T53952 | Target Info | |||
| Target Name | Homeodomain interacting protein kinase 2 (HIPK2) | ||||
| Synonyms | hHIPk2; Homeodomain-interacting protein kinase 2 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | HIPK2 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: CX-4945 | Ligand Info | |||||
| Structure Description | HIPK2 kinase domain bound to CX-4945 | PDB:6P5S | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [1] |
| PDB Sequence |
QLVQHEVLCS
194 MTNTYEVLEF204 LGRGQVVKCW217 KRGTNEIVAI227 KILRQGQIEV244 SILARLSTES 254 ADDYNFVRAY264 ECFQHHTCLV276 FEMLEQNLYD286 FLKQNKFSPL296 PLKYIRPVLQ 306 QVATALMKLK316 SLGLIHADLK326 PENIMLVDPS336 RQPYRVKVID346 FGSASHVTLQ 363 SRYYRAPEII373 LGLPFCEAID383 MWSLGCVIAE393 LFLGWPLYPG403 ASEYDQIRYI 413 SQTQGLPAEY423 LLSAGTKTTR433 FFNRDTDPYP444 LWRLKTPDDH454 EAETGIKSKE 464 ARKYIFNCLD474 DMAQVNMTTD484 LEGSDMLVEK494 ADRREFIDLL504 KKMLTIDADK 514 RITPIETLNH524 PFVTMTHLLD534 F
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| Ligand Name: L-serine-O-phosphate | Ligand Info | |||||
| Structure Description | HIPK2 kinase domain bound to CX-4945 | PDB:6P5S | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [1] |
| PDB Sequence |
QLVQHEVLCS
194 MTNTYEVLEF204 LGRGQVVKCW217 KRGTNEIVAI227 KILRQGQIEV244 SILARLSTES 254 ADDYNFVRAY264 ECFQHHTCLV276 FEMLEQNLYD286 FLKQNKFSPL296 PLKYIRPVLQ 306 QVATALMKLK316 SLGLIHADLK326 PENIMLVDPS336 RQPYRVKVID346 FGSASHVTLQ 363 SRYYRAPEII373 LGLPFCEAID383 MWSLGCVIAE393 LFLGWPLYPG403 ASEYDQIRYI 413 SQTQGLPAEY423 LLSAGTKTTR433 FFNRDTDPYP444 LWRLKTPDDH454 EAETGIKSKE 464 ARKYIFNCLD474 DMAQVNMTTD484 LEGSDMLVEK494 ADRREFIDLL504 KKMLTIDADK 514 RITPIETLNH524 PFVTMTHLLD534 F
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Phosphonotyrosine | Ligand Info | |||||
| Structure Description | HIPK2 kinase domain bound to CX-4945 | PDB:6P5S | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [1] |
| PDB Sequence |
QLVQHEVLCS
194 MTNTYEVLEF204 LGRGQVVKCW217 KRGTNEIVAI227 KILRQGQIEV244 SILARLSTES 254 ADDYNFVRAY264 ECFQHHTCLV276 FEMLEQNLYD286 FLKQNKFSPL296 PLKYIRPVLQ 306 QVATALMKLK316 SLGLIHADLK326 PENIMLVDPS336 RQPYRVKVID346 FGSASHVTLQ 363 SRYYRAPEII373 LGLPFCEAID383 MWSLGCVIAE393 LFLGWPLYPG403 ASEYDQIRYI 413 SQTQGLPAEY423 LLSAGTKTTR433 FFNRDTDPYP444 LWRLKTPDDH454 EAETGIKSKE 464 ARKYIFNCLD474 DMAQVNMTTD484 LEGSDMLVEK494 ADRREFIDLL504 KKMLTIDADK 514 RITPIETLNH524 PFVTMTHLLD534 F
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:360 or .A:362 or .A:363 or .A:365 or .A:368 or .A:372 or .A:406 or .A:430; 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: 3-(4-Tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine | Ligand Info | |||||
| Structure Description | Crystal structure of HIPK2 in complex with MU135 (compound 21e) | PDB:7NCF | ||||
| Method | X-ray diffraction | Resolution | 2.72 Å | Mutation | No | [2] |
| PDB Sequence |
SMDYQLVQHE
190 VLCSMTNTYE200 VLEFLGRGTF210 GQVVKCWKRG220 TNEIVAIKIL230 KNHPSYARQG 240 QIEVSILARL250 STESADDYNF260 VRAYECFQHK270 NHTCLVFEML280 EQNLYDFLKQ 290 NKFSPLPLKY300 IRPVLQQVAT310 ALMKLKSLGL320 IHADLKPENI330 MLVDPSRQPY 340 RVKVIDFGSA350 SHVSKAVCST360 LQSRYYRAPE371 IILGLPFCEA381 IDMWSLGCVI 391 AELFLGWPLY401 PGASEYDQIR411 YISQTQGLPA421 EYLLSAGTKT431 TRFFNRDTDP 442 YPLWRLKTPD452 DHEAETGIKS462 KEARKYIFNC472 LDDMAQVNMT482 TDLEGSDMLV 492 EKADRREFID502 LLKKMLTIDA512 DKRITPIETL522 NHPFVTMTHL532 LDF |
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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 .U82 or .U822 or .U823 or :3U82;style chemicals stick;color identity;select .A:205 or .A:206 or .A:207 or .A:208 or .A:210 or .A:213 or .A:226 or .A:228 or .A:243 or .A:261 or .A:277 or .A:278 or .A:279 or .A:280 or .A:283 or .A:328 or .A:331 or .A:345 or .A:346 or .A:347; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU205
3.550
GLY206
3.800
ARG207
4.012
GLY208
3.907
PHE210
4.184
VAL213
3.559
ALA226
3.305
LYS228
3.028
GLU243
2.931
VAL261
3.899
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | The crystal structure of the protein kinase HIPK2 reveals a unique architecture of its CMGC-insert region. J Biol Chem. 2019 Sep 13;294(37):13545-13559. | ||||
| REF 2 | Highly selective inhibitors of protein kinases CLK and HIPK with the furo[3,2-b]pyridine core. Eur J Med Chem. 2021 Apr 5;215:113299. | ||||
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