Crystal structure of tyrosine kinase 2 JH2 (pseudo kinase domain) complexed with Compound_29 aka 6-[(5-fluoro-4-meth ylpyridin-2-yl)amino]-4-({2-methoxy-3-[(pyridin-2-ylmethyl )carbamoyl]phenyl}amino)-N-methylpyridine-3-carboxamide. Determined by X-ray diffraction at 2.11 Å resolution. Released 31 Jul 2019.
Explore 6NZQ in 3D Show helices and sheets RCSB PDB PDBe
6NZQ contains 32 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 | 583 | 1 | 1 |
| α-helix | 586-588 | 3 | |
| β-strand | 589-598 | 10 | 1 |
| β-strand | 601-608 | 8 | 1 |
| β-strand | 637-644 | 8 | 1 |
| α-helix | 649-663 | 15 | |
| β-strand | 670 | 1 | 2 |
| β-strand | 673-679 | 7 | 1 |
| β-strand | 682-688 | 7 | 1 |
| β-strand | 694 | 1 | 2 |
| α-helix | 695-701 | 7 | |
| α-helix | 708-727 | 20 | |
| α-helix | 737-739 | 3 | |
| β-strand | 740-744 | 5 | 2 |
| β-strand | 754-757 | 4 | 2 |
| α-helix | 758-759 | 2 | |
| α-helix | 764-766 | 3 | |
| α-helix | 769-773 | 5 | |
| α-helix | 781-783 | 3 | |
| α-helix | 794-808 | 15 | |
| α-helix | 820-828 | 9 | |
| α-helix | 831-836 | 6 | |
| α-helix | 842-848 | 7 | |
| α-helix | 853-855 | 3 | |
| α-helix | 857-858 | 2 | |
| α-helix | 859-866 | 8 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 583 | 1 | 3 |
| α-helix | 586-588 | 3 | |
| β-strand | 589-598 | 10 | 3 |
| β-strand | 601-608 | 8 | 3 |
| β-strand | 637-644 | 8 | 3 |
| α-helix | 649-663 | 15 | |
| β-strand | 670 | 1 | 4 |
| β-strand | 673-679 | 7 | 3 |
| β-strand | 682-688 | 7 | 3 |
| β-strand | 694 | 1 | 4 |
| α-helix | 695-701 | 7 | |
| α-helix | 708-727 | 20 | |
| α-helix | 737-739 | 3 | |
| β-strand | 740-744 | 5 | 4 |
| β-strand | 754-757 | 4 | 4 |
| α-helix | 758-759 | 2 | |
| α-helix | 764-766 | 3 | |
| α-helix | 769-773 | 5 | |
| α-helix | 781-783 | 3 | |
| α-helix | 794-808 | 15 | |
| α-helix | 820-828 | 9 | |
| α-helix | 831-836 | 6 | |
| α-helix | 842-848 | 7 | |
| α-helix | 853-855 | 3 | |
| α-helix | 857-858 | 2 | |
| α-helix | 859-867 | 9 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 | A, B | protein | 317 | Homo sapiens | P29597 (AlphaFold model) |
>6NZQ_1 Non-receptor tyrosine-protein kinase TYK2 (chains A, B) MGSSHHHHHHSSGETVRFQGHMNLSQLSFHRVDQKEITQLSHLGQGTRTNVYEGRLRVEG SGDPEEGKMDDEDPLVPGRDRGQELRVVLKVLDPSHHDIALAFYETASLMSQVSHTHLAF VHGVCVRGPENIMVTEYVEHGPLDVWLRRERGHVPMAWKMVVAQQLASALSYLENKNLVH GNVCGRNILLARLGLAEGTSPFIKLSDPGVGLGALSREERVERIPWLAPECLPGGANSLS TAMDKWGFGATLLEICFDGEAPLQSRSPSEKEHFYQRQHRLPEPSCPQLATLTSQCLTYE PTQRPSFRTILRDLTRL
| ID | Name | Formula | Copies |
|---|---|---|---|
| LB4 | 6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl… | C27 H26 F N7 O3 | 2 |
Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165. Wrobleski, S.T., Moslin, R., Lin, S. et al. J Med Chem (2019) 62:8973-8995. DOI 10.1021/acs.jmedchem.9b00444 · PubMed
Other PDB entries of the same protein (UniProt P29597 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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