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Structure paper

TitleEvolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Journal, issue, pagesProc. Natl. Acad. Sci. U.S.A., Vol. 115, Page E7293-E7302, Year 2018
Publish dateApr 7, 2014 (structure data deposition date)
AuthorsMiton, C.M. / Jonas, S. / Fischer, G. / Duarte, F. / Mohamed, M.F. / van Loo, B. / Kintses, B. / Kamerlin, S.C.L. / Tokuriki, N. / Hyvonen, M. / Hollfelder, F.
External linksProc. Natl. Acad. Sci. U.S.A. / PubMed:30012610
MethodsX-ray diffraction
Resolution1.72 - 2.3 Å
Structure data

PDB-4cxk:
G9 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa
Method: X-RAY DIFFRACTION / Resolution: 1.86 Å

PDB-4cxs:
G4 mutant of PAS, arylsulfatase from Pseudomonas aeruginosa, in complex with Phenylphosphonic acid
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-4cxu:
G4 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa, in complex with 3-Br-Phenolphenylphosphonate
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-4cyr:
G4 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

PDB-4cys:
G6 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa, in complex with Phenylphosphonic acid
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-5aj9:
G7 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

ChemComp-SV7:
phenylphosphonic acid

ChemComp-62Y:
3-bromophenyl hydrogen (S)-phenylphosphonate

ChemComp-NH4:
AMMONIUM ION

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-CL:
Unknown entry

Source
  • pseudomonas aeruginosa (bacteria)
KeywordsHYDROLASE / CATALYTIC PROMISCUITY / DIRECTED EVOLUTION / NEUTRAL DRIFT / SULFATASE / SUPERFAMILY

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