A model for local melting of metalloprotein structure

James Whittaker

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

Metalloprotein complexes that are able to explore a range of structures will isomerize as the temperature is raised when the isomeric state is coupled to a soft mode in the vibrational spectrum. A model based on a local mode description of the metal center provides insight into the driving forces for the isomerization reaction, which is the local analog of global melting transitions well-known for cooperative systems (proteins, nucleic acids, and crystals). Thermal isomerization of the active site in manganese superoxide dismutase appears to be an example of this type of transition, the azide complex converting between six- and five-coordinate forms at a temperature Tm = 220 K. In superoxide dismutase, mode melting defines the pathway for ligand binding at ambient temperatures, stabilizing the functional form of the active site. Thermal isomerization may be a very general characteristic of complex molecules in solution or in the gas phase, reflecting a transition in molecular dynamics.

Original languageEnglish (US)
Pages (from-to)674-677
Number of pages4
JournalJournal of Physical Chemistry B
Volume101
Issue number4
StatePublished - Jan 23 1997

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Metalloproteins
Isomerization
isomerization
Melting
inorganic peroxides
melting
Superoxide Dismutase
Azides
Nucleic acids
nucleic acids
Vibrational spectra
Temperature
vibrational spectra
Nucleic Acids
ambient temperature
Molecular dynamics
manganese
Gases
Metals
Ligands

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Engineering(all)

Cite this

A model for local melting of metalloprotein structure. / Whittaker, James.

In: Journal of Physical Chemistry B, Vol. 101, No. 4, 23.01.1997, p. 674-677.

Research output: Contribution to journalArticle

Whittaker, James. / A model for local melting of metalloprotein structure. In: Journal of Physical Chemistry B. 1997 ; Vol. 101, No. 4. pp. 674-677.
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