Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T15776 | Target Info | |||
| Target Name | Pyruvate dehydrogenase kinase 1 (PDHK1) | ||||
| Synonyms | Pyruvate dehydrogenase kinase isoform 1; Pyruvate dehydrogenase (acetyl-transferring) kinase isozyme 1, mitochondrial; PDHK1; PDH kinase 1 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PDK1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: AZD-7545 | Ligand Info | |||||
| Structure Description | Structure of pyruvate dehydrogenase kinase isoform 1 in complex with glucose-lowering drug AZD7545 | PDB:2Q8G | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
GVPGQVDFYA
50 RFSPSPLSMK60 QFLDFGSVNA70 CEKTSFMFLR80 QELPVRLANI90 MKEISLLPDN 100 LLRTPSVQLV110 QSWYIQSLQE120 LLDFKDKSAE130 DAKAIYDFTD140 TVIRIRNRHN 150 DVIPTMAQGV160 IEYKESFDPV172 TSQNVQYFLD182 RFYMSRISIR192 MLLNQHSLLF 202 GKHIGSINPN222 CNVLEVIKDG232 YENARRLCDL242 YYINSPELEL252 EELNAKSPGQ 262 PIQVVYVPSH272 LYHMVFELFK282 NAMRATMEHH292 ANRGVYPPIQ302 VHVTLGNEDL 312 TVKMSDRGGG322 VPLRKIDRLF332 NYMYSTAPRP342 RVETSRAVPL352 AGFGYGLPIS 362 RLYAQYFQGD372 LKLYSLEGYG382 TDAVIYIKAL392 STDSIERLPV402 YNKAAWKHYN 412 TNDDWCVP
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| Ligand Name: Dichloroacetic acid | Ligand Info | |||||
| Structure Description | Structure of pyruvate dehydrogenase kinase isoform 1 in complex with dichloroacetate (DCA) | PDB:2Q8H | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
GVPGQVDFYA
50 RFSPSPLSMK60 QFLDFGSCEK73 TSFMFLRQEL83 PVRLANIMKE93 ISLLPDNLLR 103 TPSVQLVQSW113 YIQSLQELLD123 FKDKSAEDAK133 AIYDFTDTVI143 RIRNRHNDVI 153 PTMAQGVIEY163 KESFDPVTSQ175 NVQYFLDRFY185 MSRISIRMLL195 NQHSLLFGHI 216 GSINPNCNVL226 EVIKDGYENA236 RRLCDLYYIN246 SPELELEELN256 AKSPGQPIQV 266 VYVPSHLYHM276 VFELFKNAMR286 ATMEHHANRG296 VYPPIQVHVT306 LGNEDLTVKM 316 SDRGGGVPLR326 KIDRLFNYMY336 STAPRPRVET346 SRAVPLAGFG356 YGLPISRLYA 366 QYFQGDLKLY376 SLEGYGTDAV386 IYIKALSTDS396 IERLPVYNKA406 AWKHYNTNAD 418 DWCVP
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Distinct structural mechanisms for inhibition of pyruvate dehydrogenase kinase isoforms by AZD7545, dichloroacetate, and radicicol. Structure. 2007 Aug;15(8):992-1004. | ||||
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