title: The effect of protein composition on hydration dynamics.
abstract: Water dynamics at the surface of two homologous proteins with different thermal resistances is found to be unaffected by the different underlying amino-acid compositions, and when proteins are folded it responds similarly to temperature variations. Upon unfolding the water dynamics slowdown with respect to bulk decreases by a factor of two. Our findings are explained by the dominant topological perturbation induced by the protein on the water hydrogen bond dynamics.
authors: Laboratoire de Biochimie Théorique, CNRS, UPR9080, Université Paris Diderot, Sorbonne Paris Cité, Institut de Biologie Physico-Chimique, Paris, France.
authors: O
authors: O
authors: Rahaman
authors: S
authors: S
authors: Melchionna
authors: D
authors: D
authors: Laage
authors: F
authors: F
authors: Sterpone
mesh_terms: D000596:Amino Acids / Q000737:chemistry*; D003198:Computer Simulation; D006860:Hydrogen Bonding; D008958:Models, Molecular; D017510:Protein Folding; D011506:Proteins / Q000737:chemistry*; D014867:Water / Q000737:chemistry*
chemical_list: D000596:Amino Acids; D011506:Proteins; D014867:Water
references: J Phys Chem B. 2012 Mar 1;116(8):2561-7
references: 22300130
references: Annu Rev Phys Chem. 2011;62:395-416
references: 21219140
references: Biochimie. 1998 Nov;80(11):895-8
references: 9893948
references: J Phys Chem B. 2010 Feb 11;114(5):2083-9
references: 20085364
references: J Mol Biol. 2003 Mar 28;327(3):745-57
references: 12634066
references: Biochemistry. 2012 Apr 3;51(13):2642-51
references: 22409271
references: J Phys Chem B. 2012 Mar 15;116(10):3436-44
references: 22329545
references: Philos Trans R Soc Lond B Biol Sci. 2004 Aug 29;359(1448):1207-23; discussion 1223-4, 1323-8
references: 15306377
references: Structure. 1996 Nov 15;4(11):1291-301
references: 8939753
references: Proc Natl Acad Sci U S A. 2000 Mar 28;97(7):3166-70
references: 10716696
references: FEBS Lett. 1999 Feb 26;445(2-3):375-83
references: 10094493
references: J Phys Chem B. 2009 Jan 8;113(1):131-7
references: 19072709
references: J Comput Chem. 2004 Aug;25(11):1400-15
references: 15185334
references: J Am Chem Soc. 2009 Apr 8;131(13):4664-9
references: 19284757
references: Proc Natl Acad Sci U S A. 2009 Feb 24;106(8):2601-6
references: 19196981
references: J Am Chem Soc. 2007 Jun 13;129(23):7369-77
references: 17508748
references: Science. 2006 Feb 10;311(5762):832-5
references: 16439623
references: Eur J Biochem. 1989 Jun 15;182(2):247-55
references: 2661226
references: Protein Sci. 1997 Dec;6(12):2589-605
references: 9416608
references: Biophys J. 2008 Sep 15;95(6):2951-63
references: 18586840
references: J Comput Chem. 2005 Dec;26(16):1781-802
references: 16222654
references: Trends Biochem Sci. 2001 Sep;26(9):550-6
references: 11551792
references: J Phys Chem B. 1998 Apr 30;102(18):3586-616
references: 24889800
references: Biophys J. 2011 Aug 17;101(4):925-33
references: 21843484
references: J Mol Biol. 2008 Aug 29;381(2):324-40
references: 18599073
references: J Mol Biol. 2001 Aug 10;311(2):409-19
references: 11478869
references: Microbiol Mol Biol Rev. 2001 Mar;65(1):1-43
references: 11238984
references: Nat Struct Biol. 1996 Jun;3(6):505-9
references: 8646535
references: Chem Soc Rev. 2012 Mar 7;41(5):1665-76
references: 21975514
references: PLoS One. 2011;6(6):e21624
references: 21720566
references: Proc Natl Acad Sci U S A. 2000 Mar 28;97(7):2962-4
references: 10737776
references: J Mol Biol. 1998 Nov 27;284(2):489-502
references: 9813132
references: J Am Chem Soc. 2012 Mar 7;134(9):4116-9
references: 22335572
references: Proteins. 2000 Feb 15;38(3):261-72
references: 10713987
references: J Am Chem Soc. 2012 Nov 14;134(45):18705-12
references: 23101613
references: J Phys Chem B. 2009 Feb 26;113(8):2428-35
references: 19193030
references: J Phys Chem B. 2012 Sep 27;116(38):11695-700
references: 22946539
references: J Mol Biol. 1999 Jun 25;289(5):1435-44
references: 10373377
references: PLoS Comput Biol. 2005 Sep;1(4):e47
references: 16201009
references: J Phys Chem B. 2008 Nov 13;112(45):14230-42
references: 18942871
references: J Am Chem Soc. 2002 Jun 12;124(23):6787-91
references: 12047201
references: J Phys Chem B. 2012 Apr 19;116(15):4552-60
references: 22443455
references: J Phys Chem A. 2012 Mar 22;116(11):2678-85
references: 21988177
references: J Phys Condens Matter. 2010 Aug 18;22(32):323101
references: 21386475