Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3353. Determined by X-ray diffraction at 1.7 Å resolution. Released 11 May 2016.
Explore 5HTB in 3D Show helices and sheets RCSB PDB PDBe
5HTB contains 18 α-helices and 20 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 | 1 | 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 | 520-521 | 2 | 2 |
| β-strand | 524-525 | 2 | 2 |
| α-helix | 526 | 1 | |
| β-strand | 527 | 1 | 1 |
| α-helix | 528 | 1 | |
| α-helix | 529-543 | 15 | |
| α-helix | 544-547 | 4 | |
| β-strand | 552 | 1 | 3 |
| β-strand | 556 | 1 | 4 |
| α-helix | 557-558 | 2 | |
| 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 | 613-615 | 3 | |
| α-helix | 622-643 | 22 | |
| β-strand | 646 | 1 | 5 |
| 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 | 1 | 5 |
| β-strand | 693-695 | 3 | 6 |
| β-strand | 698-700 | 3 | 6 |
| 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) |
| (2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyloxy)-5-amino-2-(aminomethyl… | C | protein | 8 | synthetic construct |
>5HTB_1 Serine/threonine-protein kinase haspin (chains A) MHHHHHHSSGVDLGTENLYFQSMGECSQKGPVPFSHCLPTEKLQRCEKIGEGVFGEVFQT IADHTPVAIKIIAIEGPDLVNGSHQKTFEEILPEIIISKELSLLSGEVCNRTEGFIGLNS VHCVQGSYPPLLLKAWDHYNSTKGSANDRPDFFKDDQLFIVLEFEFGGIDLEQMRTKLSS LATAKSILHQLTASLAVAEASLRFEHRDLHWGNVLLKKTSLKKLHYTLNGKSSTIPSCGL QVSIIDYTLSRLERDGIVVFCDVSMDEDLFTGDGDYQFDIYRLMKKENNNRWGEYHPYSN VLWLHYLTDKMLKQMTFKTKCNTPAMKQIKRKIQEFHRTMLNFSSATDLLCQHSLFK
>5HTB_2 (2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-3,4-DIOL (chains C) ARKKQTAX
| ID | Name | Formula | Copies |
|---|---|---|---|
| 6L5 | (3R)-4-amino-3-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetr… | C20 H28 N8 O8 | 1 |
| MRD | (4R)-2-methylpentane-2,4-diol | C6 H14 O2 | 1 |
Water and common crystallization additives (MPD, DMS, NA) are not listed.
Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors. Lavogina, D., Kestav, K., Chaikuad, A. et al. Acta Crystallogr F Struct Biol Commun (2016) 72:339-345. DOI 10.1107/S2053230X16004611 · 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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