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On the role of covalent strain in protein function

Ryde, Ulf LU (2002) In Recent research developments in protein engineering, Vol. 2 p.65-91
Abstract
Strain has frequently been suggested to play an important role in the function of several proteins. In this paper, we review various definition of strain and discuss how it may be quantified. We show that covalent strain (i.e. strain caused by covalent interactions) plays a minor role for the function of all proteins we have studied, e.g. blue copper proteins, desulforedoxin, CuA in cytochrome c oxidase, and antibodies (the immuno­chromic effect). However, in small molecules, such as the haem group and macrocyclic model complexes covalent strain may have a pronounced effect. In general, significant strain is seen when a molecule is constrained by covalent bonds in rings, whereas forces present in proteins, i.e. torsional constraints and... (More)
Strain has frequently been suggested to play an important role in the function of several proteins. In this paper, we review various definition of strain and discuss how it may be quantified. We show that covalent strain (i.e. strain caused by covalent interactions) plays a minor role for the function of all proteins we have studied, e.g. blue copper proteins, desulforedoxin, CuA in cytochrome c oxidase, and antibodies (the immuno­chromic effect). However, in small molecules, such as the haem group and macrocyclic model complexes covalent strain may have a pronounced effect. In general, significant strain is seen when a molecule is constrained by covalent bonds in rings, whereas forces present in proteins, i.e. torsional constraints and non-bonded interactions are too weak to distort a bound molecule or metal significantly. (Less)
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author
publishing date
type
Chapter in Book/Report/Conference proceeding
publication status
published
subject
keywords
induced-rack theory, protein strain, quantum chemical calculations, entatic state theory, blue copper proteins
in
Recent research developments in protein engineering, Vol. 2
pages
65 - 91
publisher
Research Signpost
language
English
LU publication?
no
id
c7be262c-417d-43b3-874a-c50d7ce2801d (old id 701051)
date added to LUP
2008-01-08 16:01:33
date last changed
2016-06-29 09:09:15
@misc{c7be262c-417d-43b3-874a-c50d7ce2801d,
  abstract     = {Strain has frequently been suggested to play an important role in the function of several proteins. In this paper, we review various definition of strain and discuss how it may be quantified. We show that covalent strain (i.e. strain caused by covalent interactions) plays a minor role for the function of all proteins we have studied, e.g. blue copper proteins, desulforedoxin, CuA in cytochrome c oxidase, and antibodies (the immuno­chromic effect). However, in small molecules, such as the haem group and macrocyclic model complexes covalent strain may have a pronounced effect. In general, significant strain is seen when a molecule is constrained by covalent bonds in rings, whereas forces present in proteins, i.e. torsional constraints and non-bonded interactions are too weak to distort a bound molecule or metal significantly.},
  author       = {Ryde, Ulf},
  keyword      = {induced-rack theory,protein strain,quantum chemical calculations,entatic state theory,blue copper proteins},
  language     = {eng},
  pages        = {65--91},
  publisher    = {ARRAY(0xb1feda0)},
  series       = {Recent research developments in protein engineering, Vol. 2},
  title        = {On the role of covalent strain in protein function},
  year         = {2002},
}