Crystal structure of haspin in complex with disubstituted imidazo[1,2- b]pyridazine inhibitor (compound 12). Determined by X-ray diffraction at 1.65 Å resolution. Released 18 Nov 2020.
Explore 7AVQ in 3D Show helices and sheets RCSB PDB PDBe
7AVQ contains 18 α-helices and 18 β-strands across 1 chain. 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 | 473-474 | 2 | 1 |
| α-helix | 475-478 | 4 | |
| α-helix | 481-485 | 5 | |
| β-strand | 488-493 | 6 | 1 |
| β-strand | 496-503 | 8 | 1 |
| β-strand | 506-515 | 10 | 1 |
| β-strand | 521 | 1 | 2 |
| β-strand | 524 | 1 | 2 |
| α-helix | 525-526 | 2 | |
| β-strand | 527 | 1 | 1 |
| α-helix | 528 | 1 | |
| α-helix | 529-544 | 16 | |
| α-helix | 545-547 | 3 | |
| β-strand | 552 | 1 | 3 |
| β-strand | 559-566 | 8 | 1 |
| α-helix | 569-570 | 2 | |
| α-helix | 571-583 | 13 | |
| α-helix | 589-590 | 2 | |
| β-strand | 599-606 | 8 | 1 |
| β-strand | 610-611 | 2 | 4 |
| α-helix | 622-643 | 22 | |
| β-strand | 646 | 1 | 5 |
| α-helix | 652-654 | 3 | |
| β-strand | 655-659 | 5 | 4 |
| β-strand | 664-669 | 6 | 3 |
| β-strand | 672-677 | 6 | 3 |
| β-strand | 681-685 | 5 | 4 |
| β-strand | 692-695 | 4 | 5 |
| β-strand | 698-701 | 4 | 5 |
| α-helix | 709-711 | 3 | |
| α-helix | 717-729 | 13 | |
| α-helix | 739-754 | 16 | |
| α-helix | 765-780 | 16 | |
| α-helix | 781-783 | 3 | |
| α-helix | 787-793 | 7 | |
| α-helix | 795-797 | 3 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase haspin | A | protein | 357 | Homo sapiens | Q8TF76 (AlphaFold model) |
>7AVQ_1 Serine/threonine-protein kinase haspin (chains A) MHHHHHHSSGVDLGTENLYFQSMGECSQKGPVPFSHCLPTEKLQRCEKIGEGVFGEVFQT IADHTPVAIKIIAIEGPDLVNGSHQKTFEEILPEIIISKELSLLSGEVCNRTEGFIGLNS VHCVQGSYPPLLLKAWDHYNSTKGSANDRPDFFKDDQLFIVLEFEFGGIDLEQMRTKLSS LATAKSILHQLTASLAVAEASLRFEHRDLHWGNVLLKKTSLKKLHYTLNGKSSTIPSCGL QVSIIDYTLSRLERDGIVVFCDVSMDEDLFTGDGDYQFDIYRLMKKENNNRWGEYHPYSN VLWLHYLTDKMLKQMTFKTKCNTPAMKQIKRKIQEFHRTMLNFSSATDLLCQHSLFK
| ID | Name | Formula | Copies |
|---|---|---|---|
| S1Z | (2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol | C17 H18 N6 O | 1 |
Water and common crystallization additives (MPD, GOL, NA) are not listed.
Design of new disubstituted imidazo[1,2- b ]pyridazine derivatives as selective Haspin inhibitors. Synthesis, binding mode and anticancer biological evaluation. Elie, J., Feizbakhsh, O., Desban, N. et al. J Enzyme Inhib Med Chem (2020) 35:1840-1853. DOI 10.1080/14756366.2020.1825408 · PubMed
Other PDB entries of the same protein (UniProt Q8TF76 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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