Structural and functional analysis of quercetagetin, a natural JNK1 inhibitor. Determined by X-ray diffraction at 2.7 Å resolution. Released 5 Dec 2012.
Explore 3V3V in 3D Show helices and sheets RCSB PDB PDBe
3V3V contains 22 α-helices and 15 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 | 10-14 | 5 | 1 |
| β-strand | 19-23 | 5 | 1 |
| β-strand | 26-33 | 8 | 2 |
| β-strand | 39-45 | 7 | 2 |
| β-strand | 50-57 | 8 | 2 |
| α-helix | 60-62 | 3 | |
| α-helix | 65-79 | 15 | |
| β-strand | 85 | 1 | 3 |
| α-helix | 86-87 | 2 | |
| β-strand | 88-92 | 5 | 2 |
| α-helix | 98-100 | 3 | |
| β-strand | 104-109 | 6 | 2 |
| β-strand | 113-114 | 2 | 3 |
| α-helix | 116-119 | 4 | |
| α-helix | 125-143 | 19 | |
| β-strand | 148 | 1 | 4 |
| α-helix | 154-156 | 3 | |
| β-strand | 157-159 | 3 | 3 |
| β-strand | 165-167 | 3 | 3 |
| β-strand | 174 | 1 | 4 |
| β-strand | 177 | 1 | 5 |
| α-helix | 189-191 | 3 | |
| α-helix | 194-197 | 4 | |
| β-strand | 202 | 1 | 5 |
| α-helix | 206-220 | 15 | |
| α-helix | 232-241 | 10 | |
| α-helix | 243-245 | 3 | |
| α-helix | 246-250 | 5 | |
| α-helix | 256-262 | 7 | |
| α-helix | 271-274 | 4 | |
| α-helix | 277-279 | 3 | |
| α-helix | 291-301 | 11 | |
| α-helix | 312-317 | 6 | |
| α-helix | 319-322 | 4 | |
| α-helix | 327-330 | 4 | |
| α-helix | 349-360 | 12 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 155-157 | 3 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | A | protein | 379 | Homo sapiens | P45983 (AlphaFold model) |
| C-Jun-amino-terminal kinase-interacting protein 1 | B | protein | 11 | Mus musculus | Q9WVI9 (AlphaFold model) |
>3V3V_1 Mitogen-activated protein kinase 8 (chains A) MSRSKRDNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILERNVAIKKLSRP FQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEEFQDVYIVMELMDANLCQVIQ MELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSF MMTPEVVTRYYRAPEVILGMGYKENVDIWSVGCIMGEMIKGGVLFPGTDHIDQWNKVIEQ LGTPCPEFMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNALKASQARDLLSK MLVIDASKRISVDEALQHPYINVWYDPSEAEAPPPKIPDKQLDEREHTIEEWKELIYKEV MDLPKRPTTLNLFHHHHHH
>3V3V_2 C-Jun-amino-terminal kinase-interacting protein 1 (chains B) RPKRPTTLNLF
| ID | Name | Formula | Copies |
|---|---|---|---|
| MYU | 3,5,6,7-tetrahydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one | C15 H10 O8 | 1 |
Water and common crystallization additives (SO4, CL) are not listed.
Structural and Functional Analysis of the Natural JNK1 Inhibitor Quercetagetin. Baek, S., Kang, N.J., Popowicz, G.M. et al. J Mol Biol (2013) 425:411-423. DOI 10.1016/j.jmb.2012.10.019 · PubMed
Other PDB entries of the same protein (UniProt P45983 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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