TBK1 in complex with tetrazole analog of amlexanox. Determined by X-ray diffraction at 3.34 Å resolution. Released 26 Sept 2018.
Explore 6BNY in 3D Show helices and sheets RCSB PDB PDBe
6BNY contains 22 α-helices and 21 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 | 8 | 1 | 1 |
| β-strand | 9-16 | 8 | 2 |
| β-strand | 23-26 | 4 | 2 |
| β-strand | 35-38 | 4 | 2 |
| α-helix | 51-61 | 11 | |
| β-strand | 67 | 1 | 3 |
| β-strand | 70-75 | 6 | 2 |
| β-strand | 82-86 | 5 | 2 |
| β-strand | 92-93 | 2 | 3 |
| α-helix | 94-99 | 6 | |
| α-helix | 101-103 | 3 | |
| α-helix | 109-129 | 21 | |
| α-helix | 138-140 | 3 | |
| β-strand | 141-146 | 6 | 3 |
| β-strand | 149-155 | 7 | 3 |
| α-helix | 177-179 | 3 | |
| α-helix | 205-216 | 12 | |
| β-strand | 222 | 1 | 4 |
| α-helix | 231-238 | 8 | |
| β-strand | 247-250 | 4 | 4 |
| β-strand | 257-260 | 4 | 4 |
| α-helix | 271-284 | 14 | |
| α-helix | 289-291 | 3 | |
| α-helix | 295-306 | 12 | |
| β-strand | 308-315 | 8 | 5 |
| β-strand | 320-327 | 8 | 5 |
| β-strand | 331 | 1 | 6 |
| α-helix | 332-343 | 12 | |
| α-helix | 345-346 | 2 | |
| β-strand | 351-354 | 4 | 5 |
| β-strand | 357-358 | 2 | 5 |
| β-strand | 366 | 1 | 6 |
| α-helix | 367-369 | 3 | |
| α-helix | 371-372 | 2 | |
| α-helix | 378 | 1 | |
| β-strand | 379-382 | 4 | 5 |
| α-helix | 408-478 | 71 | |
| α-helix | 496-526 | 31 | |
| α-helix | 536-538 | 3 | |
| α-helix | 548-572 | 25 | |
| α-helix | 577-603 | 27 | |
| α-helix | 607-646 | 40 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 | A | protein | 660 | Homo sapiens | Q9UHD2 (AlphaFold model) |
>6BNY_1 Serine/threonine-protein kinase TBK1 (chains A) SNAMQSTSNHLWLLSDILGQGATANVFRGRHKKTGDLFAIKVFNNISFLRPVDVQMREFE VLKKLNHKNIVKLFAIEEETTTRHKVLIMEFCPCGSLYTVLEEPSNAYGLPESEFLIVLR DVVGGMNHLRENGIVHRDIKPGNIMRVIGEDGQSVYKLTDFGAARELEDDEQFVSLYGTE EYLHPDMYERAVLRKDHQKKYGATVDLWSIGVTFYHAATGSLPFRPFEGPRRNKEVMYKI ITGKPSGAISGVQKAENGPIDWSGDMPVSCSLSRGLQVLLTPVLANILEADQEKCWGFDQ FFAETSDILHRMVIHVFSLQQMTAHKIYIHSYNTATIFHELVYKQTKIISSNQELIYEGR RLVLEPGRLAQHFPKTTEENPIFVVSREPLNTIGLIYEKISLPKVHPRYDLDGDASMAKA ITGVVCYACRIASTLLLYQELMRKGIRWLIELIKDDYNETVHKKTEVVITLDFCIRNIEK TVKVYEKLMKINLEAAELGEISDIHTKLLRLSSSQGTIETSLQDIDSRLSPGGSLADAWA HQEGTHPKDRNVEKLQVLLNCMTEIYYQFKKDKAERRLAYNEEQIHKFDKQKLYYHATKA MTHFTDECVKKYEAFLNKSEEWIRKMLHLRKQLLSLTNQCFDIEEEVSKYQEYTNELQET
| ID | Name | Formula | Copies |
|---|---|---|---|
| E0M | 2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-… | C16 H14 N6 O2 | 1 |
Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Beyett, T.S., Gan, X., Reilly, S.M. et al. Mol Pharmacol (2018) 94:1210-1219. DOI 10.1124/mol.118.112185 · 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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