Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T60003 | Target Info | |||
| Target Name | Protein kinase N1 (PKN1) | ||||
| Synonyms | Serine/threonine-protein kinase N1; Serine-threonine protein kinase N; Protein-kinase C-related kinase 1; Protein kinase PKN-alpha; Protein kinase C-like PKN; Protein kinase C-like 1; Protease-activated kinase 1; PRKCL1; PRK1; PKN; PAK1 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | PKN1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | L-serine-O-phosphate | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 | ||||
| InChIKey | BZQFBWGGLXLEPQ-REOHCLBHSA-N | ||||
| PubChem Compound ID | 68841 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4OTH Crystal Structure of PRK1 Catalytic Domain in Complex with Ro-31-8220 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
RKSPLTLEDF
621 KFLAVLGRGH631 FGKVLLSEFR641 PSGELFAIKA651 LKKGDIVARD661 EVESLMCEKR 671 ILAAVTSAGH681 PFLVNLFGCF691 QTPEHVCFVM701 EYSAGGDLML711 HIHSDVFSEP 721 RAIFYSACVV731 LGLQFLHEHK741 IVYRDLKLDN751 LLLDTEGYVK761 IADFGLCKTR 800 AVDWWGLGVL810 LYEMLVGESP820 FPGDDEEEVF830 DSIVNDEVRY840 PRFLSAEAIG 850 IMRRLLRRNP860 ERRLGSSERD870 AEDVKKQPFF880 RTLGWEALLA890 RRLPPPFVPT 900 LSGRTDVSNF910 DEEFTGEAPT920 LPPRDARPLT931 AAEQAAFLDF941 DFVAG |
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| PDB ID: 4OTI Crystal Structure of PRK1 Catalytic Domain in Complex with Tofacitinib | ||||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [1] |
| PDB Sequence |
RKSPLTLEDF
621 KFLAVLGRGH631 FGKVLLSEFR641 PSGELFAIKA651 LKKGDIVARD661 EVESLMCEKR 671 ILAAVTSAGH681 PFLVNLFGCF691 QTPEHVCFVM701 EYSAGGDLML711 HIHSDVFSEP 721 RAIFYSACVV731 LGLQFLHEHK741 IVYRDLKLDN751 LLLDTEGYVK761 IADFGLTRAV 802 DWWGLGVLLY812 EMLVGESPFP822 GDDEEEVFDS832 IVNDEVRYPR842 FLSAEAIGIM 852 RRLLRRNPER862 RLGSSERDAE872 DVKKQPFFRT882 LGWEALLARR892 LPPPFVPTLS 902 GRTDVSNFDE912 EFTGEAPTLP923 PRDARPLTAA933 EQAAFLDFDF943 VAG |
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| PDB ID: 4OTG Crystal Structure of PRK1 Catalytic Domain in Complex with Lestaurtinib | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
LRKSPLTLED
620 FKFLAVLGRG630 HFGKVLLSEF640 RPSGELFAIK650 ALKKGDIVAR660 DEVESLMCEK 670 RILAAVTSAG680 HPFLVNLFGC690 FQTPEHVCFV700 MEYSAGGDLM710 LHIHSDVFSE 720 PRAIFYSACV730 VLGLQFLHEH740 KIVYRDLKLD750 NLLLDTEGYV760 KIADFGLCKE 770 GMGYGDRTSF781 CGTPEFLAPE791 VLTDTSYTRA801 VDWWGLGVLL811 YEMLVGESPF 821 PGDDEEEVFD831 SIVNDEVRYP841 RFLSAEAIGI851 MRRLLRRNPE861 RRLGSSERDA 871 EDVKKQPFFR881 TLGWEALLAR891 RLPPPFVPTL901 FTGEAPTLPP924 RDARPLTAAE 934 QAAFLDFDFV944 AG
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structures of PRK1 in complex with the clinical compounds lestaurtinib and tofacitinib reveal ligand induced conformational changes. PLoS One. 2014 Aug 11;9(8):e103638. | ||||
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