TBK1 in Complex with Dimethyl Amino Analog of Amlexanox. Determined by X-ray diffraction at 3.19 Å resolution. Released 5 Dec 2018.
Explore 6CQ0 in 3D Show helices and sheets RCSB PDB PDBe
6CQ0 contains 23 α-helices and 22 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 1-3 | 3 | 1 |
| β-strand | 7-17 | 11 | 1 |
| β-strand | 22-28 | 7 | 1 |
| β-strand | 34-39 | 6 | 1 |
| α-helix | 52-60 | 9 | |
| β-strand | 67 | 1 | 2 |
| β-strand | 70-75 | 6 | 1 |
| β-strand | 82-86 | 5 | 1 |
| β-strand | 93 | 1 | 2 |
| α-helix | 94-98 | 5 | |
| α-helix | 101-103 | 3 | |
| α-helix | 109-129 | 21 | |
| α-helix | 138-140 | 3 | |
| β-strand | 141-145 | 5 | 2 |
| β-strand | 151-155 | 5 | 2 |
| α-helix | 182-185 | 4 | |
| α-helix | 204-216 | 13 | |
| β-strand | 221-222 | 2 | 3 |
| α-helix | 231-239 | 9 | |
| β-strand | 247-249 | 3 | 3 |
| β-strand | 258-260 | 3 | 3 |
| α-helix | 271-282 | 12 | |
| α-helix | 294-306 | 13 | |
| β-strand | 308-315 | 8 | 4 |
| β-strand | 320-327 | 8 | 4 |
| β-strand | 331 | 1 | 5 |
| α-helix | 332-343 | 12 | |
| α-helix | 347-349 | 3 | |
| β-strand | 351-354 | 4 | 4 |
| β-strand | 357-359 | 3 | 4 |
| β-strand | 366 | 1 | 5 |
| α-helix | 367-369 | 3 | |
| α-helix | 371-372 | 2 | |
| β-strand | 374 | 1 | 6 |
| β-strand | 377 | 1 | 6 |
| β-strand | 379-382 | 4 | 4 |
| α-helix | 399-403 | 5 | |
| α-helix | 408-478 | 71 | |
| α-helix | 496-525 | 30 | |
| α-helix | 536-539 | 4 | |
| α-helix | 548-571 | 24 | |
| α-helix | 577-600 | 24 | |
| α-helix | 601-606 | 6 | |
| α-helix | 607-643 | 37 | |
| α-helix | 645-648 | 4 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 | A | protein | 660 | Homo sapiens | Q9UHD2 (AlphaFold model) |
>6CQ0_1 Serine/threonine-protein kinase TBK1 (chains A) SNAMQSTSNHLWLLSDILGQGATANVFRGRHKKTGDLFAIKVFNNISFLRPVDVQMREFE VLKKLNHKNIVKLFAIEEETTTRHKVLIMEFCPCGSLYTVLEEPSNAYGLPESEFLIVLR DVVGGMNHLRENGIVHRDIKPGNIMRVIGEDGQSVYKLTDFGAARELEDDEQFVSLYGTE EYLHPDMYERAVLRKDHQKKYGATVDLWSIGVTFYHAATGSLPFRPFEGPRRNKEVMYKI ITGKPSGAISGVQKAENGPIDWSGDMPVSCSLSRGLQVLLTPVLANILEADQEKCWGFDQ FFAETSDILHRMVIHVFSLQQMTAHKIYIHSYNTATIFHELVYKQTKIISSNQELIYEGR RLVLEPGRLAQHFPKTTEENPIFVVSREPLNTIGLIYEKISLPKVHPRYDLDGDASMAKA ITGVVCYACRIASTLLLYQELMRKGIRWLIELIKDDYNETVHKKTEVVITLDFCIRNIEK TVKVYEKLMKINLEAAELGEISDIHTKLLRLSSSQGTIETSLQDIDSRLSPGGSLADAWA HQEGTHPKDRNVEKLQVLLNCMTEIYYQFKKDKAERRLAYNEEQIHKFDKQKLYYHATKA MTHFTDECVKKYEAFLNKSEEWIRKMLHLRKQLLSLTNQCFDIEEEVSKYQEYTNELQET
| ID | Name | Formula | Copies |
|---|---|---|---|
| F8M | 2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-ca… | C18 H19 N3 O4 | 1 |
Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity. Beyett, T.S., Gan, X., Reilly, S.M. et al. Bioorg Med Chem (2018) 26:5443-5461. DOI 10.1016/j.bmc.2018.09.020 · PubMed
Other PDB entries of the same protein (UniProt Q9UHD2 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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