Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T01148 | Target Info | |||
| Target Name | HUMAN NF-kappa-B-activating kinase (TBK1) | ||||
| Synonyms | TANK-binding kinase 1; T2K; Serine/threonine-protein kinase TBK1; NAK | ||||
| Gene Name | TBK1 | ||||
| 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: 4IW0 Crystal structure and mechanism of activation of TBK1 | ||||||
| Method | X-ray diffraction | Resolution | 4.00 Å | Mutation | Yes | [1] |
| PDB Sequence |
GSQSTSNHLW
9 LLSDILGQGA19 TANVFRGRHK29 KTGDLFAIKV39 FNNISFLRPV49 DVQMREFEVL 59 KKLNHKNIVK69 LFAIEEETTT79 RHKVLIMEFC89 PCGSLYTVLE99 EPSNAYGLPE 109 SEFLIVLRDV119 VGGMNHLREN129 GIVHRNIKPG139 NIMRVIGEDG149 QSVYKLTDFG 159 AARELEDDEQ169 FVLYGTEEYL180 HPDMYERAVL190 RKDHQKKYGA200 TVDLWSIGVT 210 FYHAATGSLP220 FRPFEGPRRN230 KEVMYKIITG240 KPSGAISGVQ250 KAENGPIDWS 260 GDMPVSCSLS270 RGLQVLLTPV280 LANILEADQE290 KCWGFDQFFA300 ETSDILHRMV 310 IHVFSLQQMT320 AHKIYIHSYN330 TATIFHELVY340 KQTKIISSNQ350 ELIYEGRRLV 360 LEPGRLAQHF370 PKTTEENPIF380 VVSREPLNTI390 GLIYEKISLP400 KVHPRYDLDG 410 DASMAKAITG420 VVCYACRIAS430 TLLLYQELMR440 KGIRWLIELI450 KDDYNETVHK 460 KTEVVITLDF470 CIRNIEKTVK480 VYEKLGEISD500 IHTKLLRLSS510 SQGTIETSLQ 520 DIDSRLSPGG530 SLADAWAHQE540 GTHPKDRNVE550 KLQVLLNCMT560 EIYYQFKKDK 570 AERRLAYNEE580 QIHKFDKQKL590 YYHATKAMTH600 FTDECVKKYE610 AFLNKSEEWI 620 RKMLHLRKQL630 LSLTNQCFDI640 EEEVSKYQEY650 TNELQET
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| PDB ID: 4EUU Structure of BX-795 Complexed with Human TBK1 Kinase Domain Phosphorylated on Ser172 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [2] |
| PDB Sequence |
GSQSTSNHLW
9 LLSDILGQGA19 TANVFRGRHK29 KTGDLFAIKV39 FNNISFLRPV49 DVQMREFEVL 59 KKLNHKNIVK69 LFAIEEETTT79 RHKVLIMEFC89 PCGSLYTVLE99 EPSNAYGLPE 109 SEFLIVLRDV119 VGGMNHLREN129 GIVHRNIKPG139 NIMRVIGEDG149 QSVYKLTDFG 159 AARELEDDEQ169 FVLYGTEEYL180 HPDMYERAVL190 RKDHQKKYGA200 TVDLWSIGVT 210 FYHAATGSLP220 FRPFEGPRRN230 KEVMYKIITG240 KPSGAISGVQ250 KAENGPIDWS 260 GDMPVSCSLS270 RGLQVLLTPV280 LANILEADQE290 KCWGFDQFFA300 ETSDILH |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure and mechanism of activation of TANK-binding kinase 1. Cell Rep. 2013 Mar 28;3(3):734-46. | ||||
| REF 2 | Molecular basis of Tank-binding kinase 1 activation by transautophosphorylation. Proc Natl Acad Sci U S A. 2012 Jun 12;109(24):9378-83. | ||||
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