Crystal structure of the PCTAIRE1 kinase in complex with inhibitor. Determined by X-ray diffraction at 2.2 Å resolution. Released 23 Nov 2016.
Explore 5G6V in 3D Show helices and sheets RCSB PDB PDBe
5G6V contains 38 α-helices and 20 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 | 165-173 | 9 | 1 |
| β-strand | 177-184 | 8 | 1 |
| β-strand | 190-197 | 8 | 1 |
| α-helix | 206-217 | 12 | |
| β-strand | 223 | 1 | 2 |
| β-strand | 226-231 | 6 | 1 |
| β-strand | 235-241 | 7 | 1 |
| β-strand | 245-246 | 2 | 2 |
| α-helix | 247-253 | 7 | |
| α-helix | 260-279 | 20 | |
| α-helix | 289-291 | 3 | |
| β-strand | 292-294 | 3 | 2 |
| β-strand | 300-302 | 3 | 2 |
| β-strand | 309-310 | 2 | 1 |
| α-helix | 342-357 | 16 | |
| α-helix | 367-378 | 12 | |
| α-helix | 389-391 | 3 | |
| α-helix | 393-397 | 5 | |
| α-helix | 403-407 | 5 | |
| α-helix | 408-411 | 4 | |
| α-helix | 417-426 | 10 | |
| α-helix | 431-433 | 3 | |
| α-helix | 435-436 | 2 | |
| α-helix | 437-441 | 5 | |
| α-helix | 444-449 | 6 | |
| α-helix | 452-455 | 4 | |
| α-helix | 462-465 | 4 | |
| α-helix | 470-473 | 4 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 165-173 | 9 | 3 |
| β-strand | 177-184 | 8 | 3 |
| β-strand | 190-197 | 8 | 3 |
| α-helix | 206-217 | 12 | |
| β-strand | 223 | 1 | 4 |
| β-strand | 226-232 | 7 | 3 |
| β-strand | 235-241 | 7 | 3 |
| α-helix | 242 | 1 | |
| β-strand | 245-246 | 2 | 4 |
| α-helix | 247-253 | 7 | |
| α-helix | 260-279 | 20 | |
| α-helix | 289-291 | 3 | |
| β-strand | 292-294 | 3 | 4 |
| β-strand | 300-302 | 3 | 4 |
| β-strand | 308 | 1 | 3 |
| α-helix | 330-333 | 4 | |
| α-helix | 342-357 | 16 | |
| α-helix | 367-378 | 12 | |
| α-helix | 389-391 | 3 | |
| α-helix | 393-398 | 6 | |
| α-helix | 403-407 | 5 | |
| α-helix | 408-411 | 4 | |
| α-helix | 417-426 | 10 | |
| α-helix | 431-433 | 3 | |
| α-helix | 435-436 | 2 | |
| α-helix | 437-441 | 5 | |
| α-helix | 444-449 | 6 | |
| α-helix | 452-455 | 4 | |
| α-helix | 462-465 | 4 | |
| α-helix | 470-473 | 4 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 16 | A, B | protein | 324 | HOMO SAPIENS | Q00536 (AlphaFold model) |
>5G6V_1 CYCLIN-DEPENDENT KINASE 16 (chains A, B) METYIKLDKLGEGTYATVYKGKSKLTDNLVALKEIRLEHEEGAPCTAIREVSLLKDLKHA NIVTLHDIIHTEKSLTLVFEYLDKDLKQYLDDCGNIINMHNVKLFLFQLLRGLAYCHRQK VLHRDLKPQNLLINERGELKLADFGLARAKSIPTKTYDNEVVTLWYRPPDILLGSTDYST QIDMWGVGCIFYEMATGRPLFPGSTVEEQLHFIFRILGTPTEETWPGILSNEEFKTYNYP KYRAEALLSHAPRLDSDGADLLTKLLQFEGRNRISAEDAMKHPFFLSLGERIHKLPDTTS IFALKEIQLQKEASLRSAHHHHHH
| ID | Name | Formula | Copies |
|---|---|---|---|
| 919 | 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluor… | C30 H28 F N7 O3 | 2 |
Water and common crystallization additives (EDO) are not listed.
Structure and inhibitor specificity of the PCTAIRE-family kinase CDK16. Dixon-Clarke, S.E., Shehata, S.N., Krojer, T. et al. Biochem J (2017) 474:699-713. DOI 10.1042/BCJ20160941 · PubMed
Other PDB entries of the same protein (UniProt Q00536 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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