title: Cis-trans isomerizations of proline residues are key to bradykinin conformations.
abstract: A recent ion mobility-mass spectrometry (IM-MS) study of the nonapeptide bradykinin (BK, amino acid sequence Arg(1)-Pro(2)-Pro(3)-Gly(4)-Phe(5)-Ser(6)-Pro(7)-Phe(8)-Arg(9)) found evidence for 10 populations of conformations that depend upon the solution composition [J. Am. Chem. Soc. 2011, 133, 13810]. Here, the role of the three proline residues (Pro(2), Pro(3), and Pro(7)) in establishing these conformations is investigated using a series of seven analogue peptides in which combinations of alanine residues are substituted for prolines. IM-MS distributions of the analogue peptides, when compared to the distribution for BK, indicate the multiple structures are associated with different combinations of cis and trans forms of the three proline residues. These data are used to assign the structures to different peptide populations that are observed under various solution conditions. The assignments also show the connectivity between structures when collisional activation is used to convert one state into another.
authors: Department of Chemistry, Indiana University, Bloomington, Indiana 47405, USA.
authors: Nicholas A
authors: NA
authors: Pierson
authors: Liuxi
authors: L
authors: Chen
authors: David H
authors: DH
authors: Russell
authors: David E
authors: DE
authors: Clemmer
mesh_terms: D001920:Bradykinin / Q000737:chemistry*; D005740:Gases; D007536:Isomerism; D008968:Molecular Conformation; D011392:Proline / Q000737:chemistry*; D021241:Spectrometry, Mass, Electrospray Ionization
chemical_list: D005740:Gases; D011392:Proline; D001920:Bradykinin
references: Anal Chem. 2005 May 15;77(10):3330-9
references: 15889926
references: J Phys Chem B. 2010 Jun 17;114(23):7777-83
references: 20469905
references: Anal Chem. 2007 Jan 15;79(2):673-81
references: 17222036
references: J Am Soc Mass Spectrom. 2003 Feb;14(2):85-94
references: 12586457
references: Anal Chem. 2005 Jan 1;77(1):266-75
references: 15623305
references: J Am Soc Mass Spectrom. 1998 Aug;9(8):743-59
references: 9692251
references: Adv Protein Chem. 1968;23:283-438
references: 4882249
references: Annu Rev Pharmacol Toxicol. 1991;31:129-62
references: 2064371
references: Anal Chem. 1998 Jun 1;70(11):2236-42
references: 9624897
references: Am J Physiol. 1949 Feb;156(2):261-73
references: 18127230
references: Langmuir. 2011 Apr 5;27(7):3713-22
references: 21355573
references: J Am Soc Mass Spectrom. 1998 Apr;9(4):333-40
references: 9879363
references: Biopolymers. 1994 May;34(5):611-23
references: 8003621
references: J Am Soc Mass Spectrom. 1999 Nov;10(11):1188-211
references: 10536822
references: Annu Rev Anal Chem (Palo Alto Calif). 2008;1:293-327
references: 20636082
references: J Mass Spectrom. 2008 Jan;43(1):1-22
references: 18200615
references: J Chem Theory Comput. 2006 Mar;2(2):342-53
references: 26626523
references: Eur J Biochem. 1997 Mar 1;244(2):471-8
references: 9119014
references: Biochemistry. 1982 Dec 7;21(25):6531-6
references: 7150573
references: J Am Soc Mass Spectrom. 2012 Jul;23(7):1279-88
references: 22573497
references: Peptides. 1986 Nov-Dec;7(6):1121-30
references: 3562319
references: J Phys Chem B. 2006 Apr 13;110(14):7528-37
references: 16599534
references: J Mol Biol. 1990 Jul 5;214(1):253-60
references: 2370664
references: J Am Chem Soc. 2011 Sep 7;133(35):13810-3
references: 21830821
references: Protein Sci. 2001 Dec;10(12):2627-32
references: 11714932
references: Biochem Biophys Res Commun. 2004 Mar 19;315(4):866-71
references: 14985092
references: J Am Chem Soc. 1996 Jul 31;118(30):7178-89
references: 16525512
references: Biopolymers. 1994 Jul;34(7):869-78
references: 8054469
references: Anal Chem. 2000 Jul 1;72(13):2737-40
references: 10905301
references: Anal Bioanal Chem. 2008 Jun;391(3):905-9
references: 18320175
references: J Proteome Res. 2007 Dec;6(12):4770-6
references: 18001078
references: J Am Soc Mass Spectrom. 2012 Jul;23(7):1173-81
references: 22528205
references: Int J Pept Protein Res. 1994 Dec;44(6):513-31
references: 7705973
references: J Am Soc Mass Spectrom. 2000 Feb;11(2):167-71
references: 10689670
references: Anal Chem. 2006 Jun 15;78(12):4161-74
references: 16771547
references: Anal Chem. 2010 Mar 15;82(6):2456-62
references: 20151640
references: Int J Pept Protein Res. 1990 May;35(5):367-77
references: 2165467
references: Angew Chem Int Ed Engl. 2008;47(9):1668-71
references: 18236494