6o2x: Difference between revisions

Latest revision as of 07:03, 11 October 2023

Structure of cruzain bound to MMTS inhibitor

Structural highlights

6o2x is a 2 chain structure with sequence from Trypanosoma cruzi. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	X-ray diffraction, Resolution 1.193Å
Ligands:	EDO, PO4, SCH
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

CYSP_TRYCR Hydrolyzes chromogenic peptides at the carboxyl Arg or Lys; requires at least one more amino acid, preferably Arg, Phe, Val or Leu, between the terminal Arg or Lys and the amino-blocking group. The cysteine protease may play an important role in the development and differentiation of the parasites at several stages of their life cycle.

Publication Abstract from PubMed

Chagas disease, which is caused by Trypanosoma cruzi, affects more than six million people worldwide. Cruzain is the major cysteine protease involved in the survival of this parasite. Here, the expression, purification and crystallization of this enzyme are reported. The cruzain crystals diffracted to 1.2 A resolution, yielding two novel cruzain structures: apocruzain and cruzain bound to the reversible covalent inhibitor S-methyl thiomethanesulfonate. Mass-spectrometric experiments confirmed the presence of a methylthiol group attached to the catalytic cysteine. Comparison of these structures with previously published structures indicates the rigidity of the cruzain structure. These results provide further structural information about the enzyme and may help in new in silico studies to identify or optimize novel prototypes of cruzain inhibitors.

Cruzain structures: apocruzain and cruzain bound to S-methyl thiomethanesulfonate and implications for drug design.,Barbosa da Silva E, Dall E, Briza P, Brandstetter H, Ferreira RS Acta Crystallogr F Struct Biol Commun. 2019 Jun 1;75(Pt 6):419-427. doi:, 10.1107/S2053230X19006320. Epub 2019 May 13. PMID:31204688^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Barbosa da Silva E, Dall E, Briza P, Brandstetter H, Ferreira RS. Cruzain structures: apocruzain and cruzain bound to S-methyl thiomethanesulfonate and implications for drug design. Acta Crystallogr F Struct Biol Commun. 2019 Jun 1;75(Pt 6):419-427. doi:, 10.1107/S2053230X19006320. Epub 2019 May 13. PMID:31204688 doi:https://dx.doi.org/10.1107/S2053230X19006320

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OCA

[1] Barbosa da Silva E, Dall E, Briza P, Brandstetter H, Ferreira RS. Cruzain structures: apocruzain and cruzain bound to S-methyl thiomethanesulfonate and implications for drug design. Acta Crystallogr F Struct Biol Commun. 2019 Jun 1;75(Pt 6):419-427. doi:, 10.1107/S2053230X19006320. Epub 2019 May 13. PMID:31204688 doi:https://dx.doi.org/10.1107/S2053230X19006320

[1]

@@ Line 3: / Line 3: @@
 <StructureSection load='6o2x' size='340' side='right'caption='[[6o2x]], [[Resolution|resolution]] 1.19&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[6o2x]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Trycr Trycr]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6O2X OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6O2X FirstGlance]. <br>
+<table><tr><td colspan='2'>[[6o2x]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Trypanosoma_cruzi Trypanosoma cruzi]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6O2X OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6O2X FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.193&#8491;</td></tr>
-<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=SCH:S-METHYL-THIO-CYSTEINE'>SCH</scene></td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=SCH:S-METHYL-THIO-CYSTEINE'>SCH</scene></td></tr>
-<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cruzipain Cruzipain], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.51 3.4.22.51] </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=6o2x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6o2x OCA], [https://pdbe.org/6o2x PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6o2x RCSB], [https://www.ebi.ac.uk/pdbsum/6o2x PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6o2x ProSAT]</span></td></tr>
-<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=6o2x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6o2x OCA], [http://pdbe.org/6o2x PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6o2x RCSB], [http://www.ebi.ac.uk/pdbsum/6o2x PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6o2x ProSAT]</span></td></tr>
 </table>
 == Function ==
-[[http://www.uniprot.org/uniprot/CYSP_TRYCR CYSP_TRYCR]] Hydrolyzes chromogenic peptides at the carboxyl Arg or Lys; requires at least one more amino acid, preferably Arg, Phe, Val or Leu, between the terminal Arg or Lys and the amino-blocking group.  The cysteine protease may play an important role in the development and differentiation of the parasites at several stages of their life cycle.
+[https://www.uniprot.org/uniprot/CYSP_TRYCR CYSP_TRYCR] Hydrolyzes chromogenic peptides at the carboxyl Arg or Lys; requires at least one more amino acid, preferably Arg, Phe, Val or Leu, between the terminal Arg or Lys and the amino-blocking group.  The cysteine protease may play an important role in the development and differentiation of the parasites at several stages of their life cycle.
 <div style="background-color:#fffaf0;">
 == Publication Abstract from PubMed ==
@@ Line 20: / Line 19: @@
 </div>
 <div class="pdbe-citations 6o2x" style="background-color:#fffaf0;"></div>
+==See Also==
+*[[Cruzain|Cruzain]]
 == References ==
 <references/>
 __TOC__
 </StructureSection>
-[[Category: Cruzipain]]
 [[Category: Large Structures]]
-[[Category: Trycr]]
+[[Category: Trypanosoma cruzi]]
-[[Category: Brandstetter, H]]
+[[Category: Brandstetter H]]
-[[Category: Dall, E]]
+[[Category: Dall E]]
-[[Category: Ferreira, R S]]
+[[Category: Ferreira RS]]
-[[Category: Silva, E B]]
+[[Category: Silva EB]]
-[[Category: Autocatalytic cleavage]]
-[[Category: Cysteine protease]]
-[[Category: Hydrolase]]
-[[Category: Protease]]

6o2x: Difference between revisions

Latest revision as of 07:03, 11 October 2023

Structure of cruzain bound to MMTS inhibitor

Structural highlights

Function

Publication Abstract from PubMed

See Also

References

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