Structure of EstA esterase from psychrotrophic Pseudoalteromonas sp. 643A covalently inhibited by monoethylphosphonate

Acta Crystallogr Sect F Struct Biol Cryst Commun. 2009 Sep 1;65(Pt 9):862-5. doi: 10.1107/S1744309109030826. Epub 2009 Aug 20.

Abstract

The crystal structure of the esterase EstA from the cold-adapted bacterium Pseudoalteromonas sp. 643A was determined in a covalently inhibited form at a resolution of 1.35 A. The enzyme has a typical SGNH hydrolase structure consisting of a single domain containing a five-stranded beta-sheet, with three helices at the convex side and two helices at the concave side of the sheet, and is ornamented with a couple of very short helices at the domain edges. The active site is located in a groove and contains the classic catalytic triad of Ser, His and Asp. In the structure of the crystal soaked in diethyl p-nitrophenyl phosphate (DNP), the catalytic serine is covalently connected to a phosphonate moiety that clearly has only one ethyl group. This is the only example in the Protein Data Bank of a DNP-inhibited enzyme with covalently bound monoethylphosphate.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, N.I.H., Intramural
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Amino Acid Sequence
  • Bacterial Proteins / antagonists & inhibitors*
  • Bacterial Proteins / chemistry*
  • Carboxylic Ester Hydrolases / antagonists & inhibitors*
  • Carboxylic Ester Hydrolases / chemistry*
  • Crystallography, X-Ray
  • Enzyme Inhibitors / pharmacology*
  • Molecular Sequence Data
  • Organophosphonates / pharmacology*
  • Organophosphorus Compounds / pharmacology*
  • Palmitoyl-CoA Hydrolase / chemistry
  • Protein Structure, Secondary
  • Pseudoalteromonas / enzymology*
  • Sequence Alignment
  • Static Electricity

Substances

  • Bacterial Proteins
  • Enzyme Inhibitors
  • Organophosphonates
  • Organophosphorus Compounds
  • Carboxylic Ester Hydrolases
  • EstA protein, bacteria
  • Palmitoyl-CoA Hydrolase
  • ethyl phosphonate