Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T91323 | Target Info | |||
| Target Name | Cytoplasmic DRAK1 (STK17A) | ||||
| Synonyms | Serine/threonine-protein kinase 17A; STK17A; DAP kinase-related apoptosis-inducing protein kinase 1 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | STK17A | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: N-benzyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide | Ligand Info | |||||
| Structure Description | The STK17A (DRAK1) Kinase Domain Bound to CKJB68 | PDB:7QUE | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
SMVRTEPFQD
57 GYSLCPGREL67 GRGKFAVVRK77 CIKKDSGKEF87 AAKFMRKRRK97 GQDCRMEIIH 107 EIAVLELAQD117 NPWVINLHEV127 YETASEMILV137 LEYAAGGEIF147 AFKEKDVQRL 166 MRQILEGVHF176 LHTRDVVHLD186 LKPQNILLTS196 ESPLGDIKIV206 DFGLSRILKN 216 SEELREIMGT226 PEYVAPEILS236 YDPISMATDM246 WSIGVLTYVM256 LTGISPFLGN 266 DKQETFLNIS276 QMNLSYSEEE286 FDVLSESAVD296 FIRTLLVKKP306 EDRATAEECL 316 KHPWLT
|
|||||
|
|
LEU67
3.134
GLY68
4.161
ARG69
4.032
GLY70
3.398
ALA73
3.216
VAL74
4.336
VAL75
3.743
ALA88
3.432
LYS90
2.874
GLU108
4.584
ILE122
4.304
LEU138
3.579
|
|||||
| Ligand Name: N-tert-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide | Ligand Info | |||||
| Structure Description | The STK17A (DRAK1) Kinase Domain Bound to CK156 | PDB:7QUF | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
SMVRTEPFQD
57 GYSLCPGREL67 GRGKFAVVRK77 CIKKDSGKEF87 AAKFMRKRRK97 GQDCRMEIIH 107 EIAVLELAQD117 NPWVINLHEV127 YETASEMILV137 LEYAAGGEIF147 DQCVAFKEKD 162 VQRLMRQILE172 GVHFLHTRDV182 VHLDLKPQNI192 LLTSESPLGD202 IKIVDFGLSR 212 ILKNSEELRE222 IMGTPEYVAP232 EILSYDPISM242 ATDMWSIGVL252 TYVMLTGISP 262 FLGNDKQETF272 LNISQMNLSY282 SEEEFDVLSE292 SAVDFIRTLL302 VKKPEDRATA 312 EECLKHPWLT322
|
|||||
|
|
LEU67
3.576
GLY68
3.979
ARG69
4.455
GLY70
4.067
ALA73
4.368
VAL75
3.481
ALA88
3.637
LYS90
2.278
ILE122
4.160
LEU138
3.893
GLU139
3.465
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Illuminating the Dark: Highly Selective Inhibition of Serine/Threonine Kinase 17A with Pyrazolo[1,5-a]pyrimidine-Based Macrocycles. J Med Chem. 2022 Jun 9;65(11):7799-7817. | ||||
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