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Structure paper

Title3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor.
Journal, issue, pagesActa Crystallogr D Struct Biol, Vol. 79, Page 721-734, Year 2023
Publish dateMar 1, 2023 (structure data deposition date)
AuthorsMartinez, M. / Batista, F.A. / Maurel, M. / Bouillon, A. / Ortega Varga, L. / Wehenkel, A.M. / Le Chevalier-Sontag, L. / Blondel, A. / Haouz, A. / Hernandez, J.F. ...Martinez, M. / Batista, F.A. / Maurel, M. / Bouillon, A. / Ortega Varga, L. / Wehenkel, A.M. / Le Chevalier-Sontag, L. / Blondel, A. / Haouz, A. / Hernandez, J.F. / Alzari, P.M. / Barale, J.C.
External linksActa Crystallogr D Struct Biol / PubMed:37428845
MethodsX-ray diffraction
Resolution1.438 - 3.251 Å
Structure data

PDB-8coy:
Structure of the catalytic domain of P. vivax Sub1 (triclinic crystal form) in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.507 Å

PDB-8coz:
Structure of the catalytic domain of P. vivax Sub1 (triclinic crystal form)
Method: X-RAY DIFFRACTION / Resolution: 1.438 Å

PDB-8cp0:
Structure of the catalytic domain of P. vivax Sub1 (trigonal crystal form)
Method: X-RAY DIFFRACTION / Resolution: 3.251 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-CA:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • plasmodium vivax (malaria parasite P. vivax)
  • synthetic construct (others)
KeywordsHYDROLASE / Plasmodium / serine protease / drug target / malaria / pseudo-peptide inhibitor

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