5htc

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==Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3372==
==Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3372==
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<StructureSection load='5htc' size='340' side='right' caption='[[5htc]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
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<StructureSection load='5htc' size='340' side='right'caption='[[5htc]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5htc]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HTC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5HTC FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5htc]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] and [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HTC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5HTC FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=66M:(2R)-2-{[6-({[(2S,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]CARBONYL}AMINO)HEXANOYL]AMINO}BUTANEDIOIC+ACID+(NON-PREFERRED+NAME)'>66M</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.5&#8491;</td></tr>
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<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=66N:L-ALANINAMIDE'>66N</scene></td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=66M:(2R)-2-{[6-({[(2S,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]CARBONYL}AMINO)HEXANOYL]AMINO}BUTANEDIOIC+ACID+(NON-PREFERRED+NAME)'>66M</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">GSG2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5htc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5htc OCA], [https://pdbe.org/5htc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5htc RCSB], [https://www.ebi.ac.uk/pdbsum/5htc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5htc ProSAT]</span></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5htc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5htc OCA], [http://pdbe.org/5htc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5htc RCSB], [http://www.ebi.ac.uk/pdbsum/5htc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5htc ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/HASP_HUMAN HASP_HUMAN]] Serine/threonine-protein kinase that phosphorylates histone H3 at 'Ser-3' (H3T3ph) during mitosis. This positions and activates AURKB and other components of the chromosomal passenger complex (CPC) at centromeres to ensure proper chromatid cohesion, metaphase alignment and normal progression through the cell cycle.<ref>PMID:11228240</ref> <ref>PMID:15681610</ref> <ref>PMID:17084365</ref> <ref>PMID:20705812</ref> <ref>PMID:20929775</ref>
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[https://www.uniprot.org/uniprot/HASP_HUMAN HASP_HUMAN] Serine/threonine-protein kinase that phosphorylates histone H3 at 'Ser-3' (H3T3ph) during mitosis. This positions and activates AURKB and other components of the chromosomal passenger complex (CPC) at centromeres to ensure proper chromatid cohesion, metaphase alignment and normal progression through the cell cycle.<ref>PMID:11228240</ref> <ref>PMID:15681610</ref> <ref>PMID:17084365</ref> <ref>PMID:20705812</ref> <ref>PMID:20929775</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Haspin is a mitotic protein kinase that is responsible for the phosphorylation of Thr3 of histone H3, thereby creating a recognition motif for docking of the chromosomal passenger complex that is crucial for the progression of cell division. Here, two high-resolution models of haspin with previously reported inhibitors consisting of an ATP analogue and a histone H3(1-7) peptide analogue are presented. The structures of the complexes confirm the bisubstrate character of the inhibitors by revealing the signature binding modes of the moieties targeting the ATP-binding site and the protein substrate-binding site of the kinase. This is the first structural model of a bisubstrate inhibitor targeting haspin. The presented structural data represent a model for the future development of more specific haspin inhibitors.
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Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors.,Lavogina D, Kestav K, Chaikuad A, Heroven C, Knapp S, Uri A Acta Crystallogr F Struct Biol Commun. 2016 May 1;72(Pt 5):339-45. doi:, 10.1107/S2053230X16004611. Epub 2016 Apr 22. PMID:27139824<ref>PMID:27139824</ref>
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==See Also==
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*[[Serine/threonine protein kinase 3D structures|Serine/threonine protein kinase 3D structures]]
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 5htc" style="background-color:#fffaf0;"></div>
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== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Human]]
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[[Category: Homo sapiens]]
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[[Category: Non-specific serine/threonine protein kinase]]
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[[Category: Large Structures]]
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[[Category: Arrowsmith, C H]]
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[[Category: Synthetic construct]]
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[[Category: Bountra, C]]
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[[Category: Arrowsmith CH]]
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[[Category: Chaikuad, A]]
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[[Category: Bountra C]]
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[[Category: Delft, F von]]
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[[Category: Chaikuad A]]
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[[Category: Edwards, A M]]
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[[Category: Edwards AM]]
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[[Category: Heroven, C]]
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[[Category: Heroven C]]
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[[Category: Kestav, K]]
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[[Category: Kestav K]]
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[[Category: Knapp, S]]
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[[Category: Knapp S]]
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[[Category: Lavogina, D]]
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[[Category: Lavogina D]]
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[[Category: Structural genomic]]
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[[Category: Uri A]]
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[[Category: Uri, A]]
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[[Category: Von Delft F]]
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[[Category: Allosteric]]
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[[Category: Bisubstrate inhibitor]]
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[[Category: Inhibitor]]
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[[Category: Kinase]]
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[[Category: Transferase]]
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[[Category: Transferase-transferase inhibitor complex]]
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Current revision

Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3372

PDB ID 5htc

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