TBK1 in complex with Inhibitor compound 35. Determined by X-ray diffraction at 2.75 Å resolution. Released 1 Apr 2020.
Explore 6RSU in 3D Show helices and sheets RCSB PDB PDBe
6RSU contains 22 α-helices and 25 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 | 3 | 1 | 1 |
| β-strand | 4 | 1 | 2 |
| β-strand | 7-8 | 2 | 1 |
| β-strand | 14-17 | 4 | 1 |
| β-strand | 21-28 | 8 | 1 |
| β-strand | 34-40 | 7 | 1 |
| α-helix | 51-61 | 11 | |
| β-strand | 67 | 1 | 3 |
| β-strand | 70-75 | 6 | 1 |
| β-strand | 76 | 1 | 2 |
| β-strand | 82-87 | 6 | 1 |
| β-strand | 93 | 1 | 3 |
| α-helix | 94-98 | 5 | |
| α-helix | 101-103 | 3 | |
| α-helix | 109-128 | 20 | |
| α-helix | 138-140 | 3 | |
| β-strand | 141-145 | 5 | 3 |
| β-strand | 151-155 | 5 | 3 |
| α-helix | 177-179 | 3 | |
| α-helix | 182-185 | 4 | |
| α-helix | 201-216 | 16 | |
| β-strand | 221-222 | 2 | 4 |
| α-helix | 232-240 | 9 | |
| β-strand | 247-249 | 3 | 4 |
| β-strand | 258-260 | 3 | 4 |
| α-helix | 271-284 | 14 | |
| α-helix | 295-307 | 13 | |
| β-strand | 309-315 | 7 | 5 |
| β-strand | 320-326 | 7 | 5 |
| β-strand | 331 | 1 | 6 |
| α-helix | 332-343 | 12 | |
| β-strand | 351-354 | 4 | 5 |
| β-strand | 357-359 | 3 | 5 |
| β-strand | 366 | 1 | 6 |
| α-helix | 367-369 | 3 | |
| α-helix | 371-372 | 2 | |
| β-strand | 374 | 1 | 7 |
| β-strand | 377 | 1 | 7 |
| β-strand | 379-382 | 4 | 5 |
| α-helix | 398-401 | 4 | |
| α-helix | 408-481 | 74 | |
| α-helix | 493-526 | 34 | |
| α-helix | 534-536 | 3 | |
| α-helix | 548-572 | 25 | |
| α-helix | 577-600 | 24 | |
| α-helix | 601-606 | 6 | |
| α-helix | 607-649 | 43 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 | A | protein | 663 | Homo sapiens | Q9UHD2 (AlphaFold model) |
>6RSU_1 Serine/threonine-protein kinase TBK1 (chains A) GSGSAMGQSTSNHLWLLSDILGQGATANVFRGRHKKTGDLFAIKVFNNISFLRPVDVQMR EFEVLKKLNHKNIVKLFAIEEETTTRHKVLIMEFCPCGSLYTVLEEPSNAYGLPESEFLI VLRDVVGGMNHLRENGIVHRDIKPGNIMRVIGEDGQSVYKLTDFGAARELEDDEQFVSLY GTEEYLHPDMYERAVLRKDHQKKYGATVDLWSIGVTFYHAATGSLPFRPFEGPRRNKEVM YKIITGKPSGAISGVQKAENGPIDWSGDMPVSCSLSRGLQVLLTPVLANILEADQEKCWG FDQFFAETSDILHRMVIHVFSLQQMTAHKIYIHSYNTATIFHELVYKQTKIISSNQELIY EGRRLVLEPGRLAQHFPKTTEENPIFVVSREPLNTIGLIYEKISLPKVHPRYDLDGDASM AKAITGVVCYACRIASTLLLYQELMRKGIRWLIELIKDDYNETVHKKTEVVITLDFCIRN IEKTVKVYEKLMKINLEAAELGEISDIHTKLLRLSSSQGTIETSLQDIDSRLSPGGSLAD AWAHQEGTHPKDRNVEKLQVLLNCMTEIYYQFKKDKAERRLAYNEEQIHKFDKQKLYYHA TKAMTHFTDECVKKYEAFLNKSEEWIRKMLHLRKQLLSLTNQCFDIEEEVSKYQEYTNEL QET
| ID | Name | Formula | Copies |
|---|---|---|---|
| KJB | 3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin… | C28 H33 F3 N8 O2 | 1 |
Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor. Lefranc, J., Schulze, V.K., Hillig, R.C. et al. J Med Chem (2020) 63:601-612. DOI 10.1021/acs.jmedchem.9b01460 · 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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