Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azothiazole-based inhibitor (compound 2). Determined by X-ray diffraction at 1.78 Å resolution. Released 11 Sept 2019.
Explore 6HMR in 3D Show helices and sheets RCSB PDB PDBe
6HMR contains 36 α-helices and 25 β-strands across 2 chains. 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 | 9-17 | 9 | 1 |
| β-strand | 22-28 | 7 | 1 |
| β-strand | 34-41 | 8 | 1 |
| α-helix | 49-59 | 11 | |
| α-helix | 65-67 | 3 | |
| β-strand | 68-74 | 7 | 1 |
| β-strand | 77-83 | 7 | 1 |
| β-strand | 88 | 1 | 2 |
| α-helix | 89-95 | 7 | |
| α-helix | 102-121 | 20 | |
| β-strand | 124-125 | 2 | 3 |
| α-helix | 131-133 | 3 | |
| β-strand | 134-136 | 3 | 2 |
| α-helix | 139-141 | 3 | |
| α-helix | 144 | 1 | |
| β-strand | 145-147 | 3 | 2 |
| β-strand | 154-155 | 2 | 3 |
| β-strand | 157 | 1 | 4 |
| α-helix | 163 | 1 | |
| β-strand | 164 | 1 | 4 |
| α-helix | 165-167 | 3 | |
| α-helix | 171-173 | 3 | |
| α-helix | 177-179 | 3 | |
| α-helix | 182-185 | 4 | |
| α-helix | 192-208 | 17 | |
| α-helix | 221-234 | 14 | |
| α-helix | 237-240 | 4 | |
| α-helix | 246-256 | 11 | |
| α-helix | 266-279 | 14 | |
| α-helix | 289-292 | 4 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 4-5 | 2 | 5 |
| β-strand | 9-17 | 9 | 5 |
| β-strand | 22-28 | 7 | 5 |
| β-strand | 33-41 | 9 | 5 |
| α-helix | 49-59 | 11 | |
| β-strand | 68-74 | 7 | 5 |
| β-strand | 77-83 | 7 | 5 |
| β-strand | 88 | 1 | 6 |
| α-helix | 89-95 | 7 | |
| α-helix | 102-121 | 20 | |
| β-strand | 124-125 | 2 | 7 |
| α-helix | 131-133 | 3 | |
| β-strand | 134-136 | 3 | 6 |
| α-helix | 139-141 | 3 | |
| α-helix | 144 | 1 | |
| β-strand | 145-147 | 3 | 6 |
| β-strand | 154-155 | 2 | 7 |
| β-strand | 157 | 1 | 8 |
| α-helix | 163 | 1 | |
| β-strand | 164 | 1 | 8 |
| α-helix | 165-167 | 3 | |
| α-helix | 171-173 | 3 | |
| α-helix | 177-179 | 3 | |
| α-helix | 182-185 | 4 | |
| α-helix | 188-190 | 3 | |
| α-helix | 192-208 | 17 | |
| α-helix | 228-233 | 6 | |
| α-helix | 237-240 | 4 | |
| α-helix | 246-257 | 12 | |
| α-helix | 266-279 | 14 | |
| α-helix | 289-291 | 3 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Casein kinase I isoform delta | A, B | protein | 314 | Homo sapiens | P48730 (AlphaFold model) |
>6HMR_1 Casein kinase I isoform delta (chains A, B) MGSSHHHHHHSSGLVPRGSHMELRVGNRYRLGRKIGSGSFGDIYLGTDIAAGEEVAIKLE CVKTKHPQLHIESKIYKMMQGGVGIPTIRWCGAEGDYNVMVMELLGPSLEDLFNFCSRKF SLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDAR THQHIPYRENKNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPWQGLKAAT KRQKYERISEKKMSTPIEVLCKGYPSEFATYLNFCRSLRFDDKPDYSYLRQLFRNLFHRQ GFSYDYVFDWNMLK
| ID | Name | Formula | Copies |
|---|---|---|---|
| GE5 | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1… | C31 H26 F N5 O3 S | 2 |
| MLA | Malonic acid | C3 H4 O4 | 2 |
2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach. Schehr, M., Ianes, C., Weisner, J. et al. Photochem Photobiol Sci (2019) 18:1398-1407. DOI 10.1039/c9pp00010k · PubMed
Other PDB entries of the same protein (UniProt P48730 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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