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TitleCrystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases
Journal, issue, pagesTo be published
Publish dateJun 9, 2022 (structure data deposition date)
AuthorsPham, V.D. / Couture, M. / Lortie, L.-A. / Picard, M.-E. / Charette, S. / Levesque, R. / Shi, R.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.36 - 1.82 Å
Structure data

PDB-8d8w:
Crystal structure of ChoE with Ser38 adopting alternative conformations
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-8d8x:
Crystal structure of ChoE in complex with acetate and thiocholine (crystal form 2)
Method: X-RAY DIFFRACTION / Resolution: 1.36 Å

PDB-8d8y:
Crystal structure of ChoE N147A mutant in complex with acetylthiocholine
Method: X-RAY DIFFRACTION / Resolution: 1.54 Å

PDB-8d8z:
Crystal structure of ChoE N147A mutant in complex with thiocholine and chloride
Method: X-RAY DIFFRACTION / Resolution: 1.38 Å

PDB-8d90:
Crystal structure of ChoE N147A mutant in complex with bromide ions
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-8d91:
Crystal structure of ChoE in complex with acetate and tetraethylammonium (TEA)
Method: X-RAY DIFFRACTION / Resolution: 1.49 Å

Chemicals

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

ChemComp-IOD:
IODIDE ION

ChemComp-HOH:
WATER

ChemComp-ACT:
ACETATE ION

ChemComp-ETM:
2-(TRIMETHYLAMMONIUM)ETHYL THIOL

ChemComp-GOL:
GLYCEROL

ChemComp-CL:
Unknown entry

ChemComp-P6G:
HEXAETHYLENE GLYCOL / precipitant*YM

ChemComp-AT3:
ACETYLTHIOCHOLINE

ChemComp-BR:
BROMIDE ION

ChemComp-NET:
TETRAETHYLAMMONIUM ION

Source
  • pseudomonas aeruginosa (bacteria)
KeywordsHYDROLASE / esterase

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