Crystal structure of tyrosine kinase 2 JH2 (pseudo kinase domain) complexed with bms-066 aka 2-methoxy-N-({6-[3-methyl-7-(methylamino)-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0, 6]DODECA-1(9),2(6),4,7,11-pentaen-11-yl]pyridin-2-yl}methy l)acetamide. Determined by X-ray diffraction at 1.8 Å resolution. Released 18 Mar 2015.
Explore 4WOV in 3D Show helices and sheets RCSB PDB PDBe
4WOV contains 36 α-helices and 22 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 | 645 | 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 | 769-774 | 6 | |
| α-helix | 781-783 | 3 | |
| α-helix | 795-808 | 14 | |
| α-helix | 820-828 | 9 | |
| β-strand | 832 | 1 | 3 |
| α-helix | 833-836 | 4 | |
| α-helix | 839-841 | 3 | |
| α-helix | 842-848 | 7 | |
| α-helix | 853-855 | 3 | |
| α-helix | 857-858 | 2 | |
| α-helix | 859-867 | 9 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 583 | 1 | 4 |
| α-helix | 586-588 | 3 | |
| β-strand | 589-598 | 10 | 4 |
| β-strand | 601-608 | 8 | 4 |
| β-strand | 637-644 | 8 | 4 |
| α-helix | 645 | 1 | |
| α-helix | 649-663 | 15 | |
| β-strand | 670 | 1 | 5 |
| β-strand | 673-679 | 7 | 4 |
| β-strand | 682-688 | 7 | 4 |
| β-strand | 694 | 1 | 5 |
| α-helix | 695-701 | 7 | |
| α-helix | 708-727 | 20 | |
| α-helix | 737-739 | 3 | |
| β-strand | 740-744 | 5 | 5 |
| β-strand | 754-757 | 4 | 5 |
| α-helix | 758-759 | 2 | |
| α-helix | 764-766 | 3 | |
| α-helix | 769-774 | 6 | |
| α-helix | 781-783 | 3 | |
| α-helix | 795-808 | 14 | |
| α-helix | 820-828 | 9 | |
| β-strand | 832 | 1 | 3 |
| α-helix | 833-836 | 4 | |
| α-helix | 839-841 | 3 | |
| α-helix | 842-848 | 7 | |
| α-helix | 853-855 | 3 | |
| α-helix | 857-858 | 2 | |
| α-helix | 859-866 | 8 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 | A, B | protein | 317 | Homo sapiens | P29597 (AlphaFold model) |
>4WOV_1 Non-receptor tyrosine-protein kinase TYK2 (chains A, B) MGSSHHHHHHSSGETVRFQGHMNLSQLSFHRVDQKEITQLSHLGQGTRTNVYEGRLRVEG SGDPEEGKMDDEDPLVPGRDRGQELRVVLKVLDPSHHDIALAFYETASLMSQVSHTHLAF VHGVCVRGPENIMVTEYVEHGPLDVWLRRERGHVPMAWKMVVAQQLASALSYLENKNLVH GNVCGRNILLARLGLAEGTSPFIKLSDPGVGLGALSREERVERIPWLAPECLPGGANSLS TAMDKWGFGATLLEICFDGEAPLQSRSPSEKEHFYQRQHRLPEPSCPQLATLTSQCLTYE PTQRPSFRTILRDLTRL
| ID | Name | Formula | Copies |
|---|---|---|---|
| 3SM | 2-methoxy-N-({6-[1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-… | C19 H21 N7 O2 | 2 |
Water and common crystallization additives (SO4) are not listed.
Tyrosine Kinase 2-mediated Signal Transduction in T Lymphocytes Is Blocked by Pharmacological Stabilization of Its Pseudokinase Domain. Tokarski, J.S., Zupa-Fernandez, A., Tredup, J.A. et al. J Biol Chem (2015) 290:11061-11074. DOI 10.1074/jbc.M114.619502 · 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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