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Structure paper

TitleConformational Dynamics and Catalytic Backups in a Hyper-Thermostable Engineered Archaeal Protein Tyrosine Phosphatase.
Journal, issue, pagesBiorxiv, Year 2025
Publish dateNov 8, 2024 (structure data deposition date)
AuthorsYehorova, D. / Alansson, N. / Shen, R. / Denson, J.M. / Robinson, M. / Risso, V.A. / Molina, N.R. / Loria, J.P. / Gaucher, E.A. / Sanchez-Ruiz, J.M. ...Yehorova, D. / Alansson, N. / Shen, R. / Denson, J.M. / Robinson, M. / Risso, V.A. / Molina, N.R. / Loria, J.P. / Gaucher, E.A. / Sanchez-Ruiz, J.M. / Hengge, A.C. / Johnson, S.J. / Kamerlin, S.C.L.
External linksBiorxiv / PubMed:40196513
MethodsX-ray diffraction
Resolution1.55 - 2.1 Å
Structure data

PDB-9e9l:
Vanadate-bound Putative Ancestral Protein Tyrosine Phosphatase ShufPTP - Intermediate p-loop Conformation
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-9e9m:
Ligand Free Putative Ancestral Protein Tyrosine Phosphatase ShufPTP - C93-Cyclic Sulfenamide - Intermediate p-loop Conformation
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-9e9n:
Ligand Free Putative Ancestral Protein Tyrosine Phosphatase ShufPTP - Lowest p-loop Conformation
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

PDB-9e9u:
Vanadate-bound Putative Ancestral Protein Tyrosine Phosphatase ShufPTP - Highest p-loop Conformation
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-VO4:
VANADATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

Source
  • synthetic construct (others)
KeywordsHYDROLASE / phosphatase / inhibitor / ASR / CSO / Oxidized Cystine / Cyclic Sulfenamide / OCS

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