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Structure paper

TitleCrystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime.
Journal, issue, pagesJ. Med. Chem., Vol. 52, Page 7593-, Year 2009
Publish dateApr 15, 2009 (structure data deposition date)
AuthorsSanson, B. / Nachon, F. / Colletier, J.P. / Froment, M.T. / Toker, L. / Greenblatt, H.M. / Sussman, J.L. / Ashani, Y. / Masson, P. / Silman, I. / Weik, M.
External linksJ. Med. Chem. / PubMed:19642642
MethodsX-ray diffraction
Resolution1.95 - 2.2 Å
Structure data

PDB-2wfz:
NON-AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-2wg0:
AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN (OBTAINED BY IN CRYSTALLO AGING)
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-2wg1:
TERNARY COMPLEX OF THE AGED CONJUGATE OF TORPEDO CALIFORNICA ACEYLCHOLINESTERASE WITH SOMAN AND 2-PAM
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-2wg2:
NON-AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN (ALTERNATIVE REFINEMENT)
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-GD8:
(1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-GB:
METHYLPHOSPHONIC ACID ESTER GROUP

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

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-FP1:
N-hydroxy-1-(1-methylpyridin-2(1H)-ylidene)methanamine

Source
  • torpedo californica (Pacific electric ray)
KeywordsHYDROLASE / SOMAN / AGING / SYNAPSE / MEMBRANE / CELL MEMBRANE / DISULFIDE BOND / SERINE ESTERASE / NEUROTRANSMITTER CLEAVAGE / CONFORMATIONAL FLEXIBILITY / NEUROTRANSMITTER DEGRADATION / ALPHA/BETA HYDROLASE / ALTERNATIVE SPLICING / ORGANOPHOSPHATE / SYNAPSE MEMBRANE / ALZHEIMER DISEASE / GPI-ANCHOR / LIPOPROTEIN / GLYCOPROTEIN / CELL JUNCTION / 2-PAM / OXIME / REACTIVATOR / GPI- ANCHOR

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