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Structure paper

TitleStructural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
Journal, issue, pagesJ. Biol. Chem., Vol. 295, Page 8708-8724, Year 2020
Publish dateOct 21, 2019 (structure data deposition date)
AuthorsPham, V.D. / To, T.A. / Gagne-Thivierge, C. / Couture, M. / Lague, P. / Yao, D. / Picard, M.E. / Lortie, L.A. / Attere, S.A. / Zhu, X. ...Pham, V.D. / To, T.A. / Gagne-Thivierge, C. / Couture, M. / Lague, P. / Yao, D. / Picard, M.E. / Lortie, L.A. / Attere, S.A. / Zhu, X. / Levesque, R.C. / Charette, S.J. / Shi, R.
External linksJ. Biol. Chem. / PubMed:32371400
MethodsX-ray diffraction
Resolution1.35 - 1.85 Å
Structure data

PDB-6uqv:
Crystal structure of ChoE, a bacterial acetylcholinesterase from Pseudomonas aeruginosa
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-6uqw:
Crystal structure of ChoE in complex with acetate and thiocholine
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-6uqx:
Crystal structure of ChoE in complex with propionylthiocholine
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-6uqy:
Crystal structure of ChoE H288N mutant in complex with acetylthiocholine
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

PDB-6uqz:
Crystal structure of ChoE D285N mutant in complex with acetate and thiocholine
Method: X-RAY DIFFRACTION / Resolution: 1.43 Å

PDB-6ur0:
Crystal structure of ChoE D285N mutant acyl-enzyme
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-6ur1:
Crystal structure of ChoE S38A mutant in complex with acetate and acetylthiocholine
Method: X-RAY DIFFRACTION / Resolution: 1.42 Å

Chemicals

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

ChemComp-GOL:
GLYCEROL

ChemComp-BUA:
butanoic acid

ChemComp-CL:
Unknown entry

ChemComp-P6G:
HEXAETHYLENE GLYCOL / precipitant*YM

ChemComp-HOH:
WATER

ChemComp-ACT:
ACETATE ION

ChemComp-ETM:
2-(TRIMETHYLAMMONIUM)ETHYL THIOL

ChemComp-QFJ:
propionylthiocholine

ChemComp-IOD:
IODIDE ION

ChemComp-PPI:
PROPANOIC ACID

ChemComp-AT3:
ACETYLTHIOCHOLINE

Source
  • pseudomonas aeruginosa (strain atcc 15692 / dsm 22644 / cip 104116 / jcm 14847 / lmg 12228 / 1c / prs 101 / pao1) (bacteria)
KeywordsHYDROLASE / esterase / acetylcholine / prokaryotic / acetylcholinesterase

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