1h0i: Difference between revisions
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<StructureSection load='1h0i' size='340' side='right'caption='[[1h0i]], [[Resolution|resolution]] 2.00Å' scene=''> | <StructureSection load='1h0i' size='340' side='right'caption='[[1h0i]], [[Resolution|resolution]] 2.00Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[1h0i]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/ | <table><tr><td colspan='2'>[[1h0i]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Gliocladium Gliocladium] and [https://en.wikipedia.org/wiki/Serratia_marcescens Serratia marcescens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1H0I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1H0I FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand= | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=IAS:BETA-L-ASPARTIC+ACID'>IAS</scene>, <scene name='pdbligand=MEA:N-METHYLPHENYLALANINE'>MEA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=VR0:N~5~-[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]-L-ORNITHINE'>VR0</scene></td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1h0i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h0i OCA], [https://pdbe.org/1h0i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1h0i RCSB], [https://www.ebi.ac.uk/pdbsum/1h0i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1h0i ProSAT]</span></td></tr> | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1h0i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h0i OCA], [https://pdbe.org/1h0i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1h0i RCSB], [https://www.ebi.ac.uk/pdbsum/1h0i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1h0i ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Function == | |||
[https://www.uniprot.org/uniprot/CHIB_SERMA CHIB_SERMA] | |||
== Evolutionary Conservation == | == Evolutionary Conservation == | ||
[[Image:Consurf_key_small.gif|200px|right]] | [[Image:Consurf_key_small.gif|200px|right]] | ||
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__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: | [[Category: Gliocladium]] | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: Aalten | [[Category: Serratia marcescens]] | ||
[[Category: Arai | [[Category: Aalten DMF]] | ||
[[Category: Eijsink | [[Category: Arai N]] | ||
[[Category: Houston | [[Category: Eijsink VGH]] | ||
[[Category: Omura | [[Category: Houston DR]] | ||
[[Category: Peter | [[Category: Omura S]] | ||
[[Category: Shiomi | [[Category: Peter MG]] | ||
[[Category: Synstad | [[Category: Shiomi K]] | ||
[[Category: Turberg | [[Category: Synstad B]] | ||
[[Category: Turberg A]] | |||
Revision as of 09:39, 25 January 2023
Complex of a chitinase with the natural product cyclopentapeptide argifin from GliocladiumComplex of a chitinase with the natural product cyclopentapeptide argifin from Gliocladium
Structural highlights
FunctionEvolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMedOver the past years, family 18 chitinases have been validated as potential targets for the design of drugs against human pathogens that contain or interact with chitin during their normal life cycles. Thus far, only one potent chitinase inhibitor has been described in detail, the pseudotrisaccharide allosamidin. Recently, however, two potent natural-product cyclopentapeptide chitinase inhibitors, argifin and argadin, were reported. Here, we describe high-resolution crystal structures that reveal the details of the interactions of these cyclopeptides with a family 18 chitinase. The structures are examples of complexes of a carbohydrate-processing enzyme with high-affinity peptide-based inhibitors and show in detail how the peptide backbone and side chains mimic the interactions of the enzyme with chitooligosaccharides. Together with enzymological characterization, the structures explain why argadin shows an order of magnitude stronger inhibition than allosamidin, whereas argifin shows weaker inhibition. The peptides bind to the chitinase in remarkably different ways, which may explain the differences in inhibition constants. The two complexes provide a basis for structure-based design of potent chitinase inhibitors, accessible by standard peptide chemistry. High-resolution structures of a chitinase complexed with natural product cyclopentapeptide inhibitors: mimicry of carbohydrate substrate.,Houston DR, Shiomi K, Arai N, Omura S, Peter MG, Turberg A, Synstad B, Eijsink VG, van Aalten DM Proc Natl Acad Sci U S A. 2002 Jul 9;99(14):9127-32. Epub 2002 Jul 1. PMID:12093900[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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