Atomic Crystal Structure of an Organophosphorus Acid Anhydrolase

Abstract

The major aim is to determine the three-dimensional atomic structure of an organophosphorus acid anhydrolase (OPAA) by x ray crystallography. This structure is a prerequisite for remodeling the active site, in collaboration with scientists at ECBC and Geo-Centers, Inc. in order to enhance catalytic activity towards fluorinated U-type and other extremely toxic chemical warfare (CW) nerve agents. A decontamination system based on the remodeled OPAA not only provides rapid removal of CW agents, but is also enviromnentally safe and noncorrosive in nature. After overcoming the major difficulty in crystallizing OPAA, we have now determined by MAD and SAD techniques and refined the crystal structure of OPAA to 2.5 A resolution. The structure analysis of OPAA with the bound enzyme inhibitor MIPAFOX (N,N'-di-isopropylphosphorodiamidic fluoride) is in progress.

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Document Details

Document Type
Technical Report
Publication Date
May 09, 2004
Accession Number
ADA422943

Entities

People

  • Alexei Nickitenko
  • Florante A. Quiocho

Organizations

  • Baylor College of Medicine

Tags

DTIC Thesaurus Topics

  • Acetylcholinesterases
  • Atomic Structure
  • Chemical Warfare
  • Chemical Warfare Agents
  • Chemical Weapons
  • Crystal Structure
  • Crystallographic Techniques
  • Crystallography
  • Crystals
  • Decontamination
  • Enzymes
  • G Agents
  • Inhibitors
  • Nerve Agents
  • Scientists
  • Teamwork
  • Three Dimensional

Fields of Study

  • Chemistry

Readers

  • Analytical Chemistry
  • Materials Science and Engineering.
  • Neurotoxicology