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Structure paper

TitleStructural Study of the Complex Stereoselectivity of Human Butyrylcholinesterase for the Neurotoxic V-Agents.
Journal, issue, pagesJ. Biol. Chem., Vol. 286, Page 16783-, Year 2011
Publish dateSep 2, 2010 (structure data deposition date)
AuthorsWandhammer, M. / Carletti, E. / Van Der Schans, M. / Gillon, E. / Nicolet, Y. / Masson, P. / Goeldner, M. / Noort, D. / Nachon, F.
External linksJ. Biol. Chem. / PubMed:21454498
MethodsX-ray diffraction
Resolution2.1 - 2.6 Å
Structure data

PDB-2xqf:
X-ray Structure of human butyrylcholinesterase inhibited by racemic VX
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2xqg:
X-ray Structure of human butyrylcholinesterase inhibited by racemic VR
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-2xqi:
X-ray Structure of human butyrylcholinesterase inhibited by racemic CVX
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-2xqj:
X-ray Structure of human butyrylcholinesterase inhibited by pure enantiomer VX-(R)
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-2xqk:
X-ray Structure of human butyrylcholinesterase inhibited by pure enantiomer VX-(S)
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-GLY:
GLYCINE

ChemComp-UNX:
Unknown entry

ChemComp-VX:
O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP

ChemComp-NA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-K:
Unknown entry

ChemComp-SO4:
SULFATE ION

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

ChemComp-HOH:
WATER

ChemComp-VR:
2-METHYLPROPYL HYDROGEN (R)-METHYLPHOSPHONATE

ChemComp-CA:
Unknown entry

ChemComp-BR:
BROMIDE ION

ChemComp-CVX:
O-BUTLYLMETHYLPHOSPHONIC ACID ESTER GROUP

ChemComp-MG:
Unknown entry

ChemComp-FUC:
alpha-L-fucopyranose

Source
  • homo sapiens (human)
KeywordsHYDROLASE / NERVE AGENT / BIOSCAVENGER

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