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TitleComputational design of serine hydrolases.
Journal, issue, pagesScience, Vol. 388, Page eadu2454-eadu2454, Year 2025
Publish dateAug 28, 2024 (structure data deposition date)
AuthorsLauko, A. / Pellock, S.J. / Sumida, K.H. / Anishchenko, I. / Juergens, D. / Ahern, W. / Jeung, J. / Shida, A.F. / Hunt, A. / Kalvet, I. ...Lauko, A. / Pellock, S.J. / Sumida, K.H. / Anishchenko, I. / Juergens, D. / Ahern, W. / Jeung, J. / Shida, A.F. / Hunt, A. / Kalvet, I. / Norn, C. / Humphreys, I.R. / Jamieson, C. / Krishna, R. / Kipnis, Y. / Kang, A. / Brackenbrough, E. / Bera, A.K. / Sankaran, B. / Houk, K.N. / Baker, D.
External linksScience / PubMed:39946508
MethodsX-ray diffraction
Resolution1.21 - 2.21 Å
Structure data

PDB-9ded:
Designed protein n8
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

PDB-9dee:
The designed serine hydrolase known as super
Method: X-RAY DIFFRACTION / Resolution: 1.21 Å

PDB-9def:
The designed serine hydrolase known as win
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-9deg:
The designed serine hydrolase known as win1
Method: X-RAY DIFFRACTION / Resolution: 2.11 Å

PDB-9deh:
The designed serine hydrolase known as win31
Method: X-RAY DIFFRACTION / Resolution: 2.21 Å

PDB-9mrb:
The designed serine hydrolase known as dad_t1
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-ACY:
ACETIC ACID

ChemComp-CL:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-TLA:
L(+)-TARTARIC ACID

Source
  • synthetic construct (others)
KeywordsDE NOVO PROTEIN / NTF2 / organophosphate reactive protein / HYDROLASE / serine hydrolase / designed enzyme / helical / lit / enzyme

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