Is the tilt of the lipid head group correlated with the number of intermolecular interactions at the bilayer interface?

被引:8
作者
Baczynski, Krzysztof [1 ]
Markiewicz, Michal [1 ]
Pasenkiewicz-Gierula, Marta [1 ]
机构
[1] Jagiellonian Univ, Fac Biochem Biophys & Biotechnol, Dept Computat Biophys & Bioinformat, Ul Gronostajowa 7, PL-30387 Krakow, Poland
关键词
dioleoylphosphatidylcholine; hydrogen bonds; monogalactosyldiglyceride; ATOM FORCE-FIELD; MEMBRANE; MODEL; SIMULATIONS; HYDRATION; WATER; AREA; H-2;
D O I
10.1002/1873-3468.13048
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Lipid and water molecules comprising the bilayer form an integral entity owing to only weak physical interactions. At the bilayer interface, these interactions chiefly involve hydrogen bonding and charge pairing. Lipid head groups make hydrogen bonds (H-bonds) predominantly with water, whereas interlipid H-bonds and charge pairs are less numerous. Both interlipid H-bonding and charge pairing depend on the distance and relative orientation of the interacting head groups. In this computational paper, correlations are analysed between the orientation of the lipid head group and the number of interlipid interactions at the interface of a bilayer made of galactolipids, forming direct interlipid H-bonds, and of phosphatidylcholines forming interlipid charge pairs. The correlations are not strong, however, in both bilayers they show a similar trend.
引用
收藏
页码:1507 / 1515
页数:9
相关论文
共 33 条
[1]   A computer model of a polyunsaturated monogalactolipid bilayer [J].
Baczynski, Krzysztof ;
Markiewicz, Michal ;
Pasenkiewicz-Gierula, Marta .
BIOCHIMIE, 2015, 118 :129-140
[2]   INTERACTION OF ELECTRIC DIPOLES WITH PHOSPHOLIPID HEAD GROUPS - A H-2 AND P-31 NMR-STUDY OF PHLORETIN AND PHLORETIN ANALOGS IN PHOSPHATIDYLCHOLINE MEMBRANES [J].
BECHINGER, B ;
SEELIG, J .
BIOCHEMISTRY, 1991, 30 (16) :3923-3929
[3]   PHASE-EQUILIBRIA OF MIXTURES OF PLANT GALACTOLIPIDS - THE FORMATION OF A BICONTINUOUS CUBIC PHASE [J].
BRENTEL, I ;
SELSTAM, E ;
LINDBLOM, G .
BIOCHIMICA ET BIOPHYSICA ACTA, 1985, 812 (03) :816-826
[4]   NEUTRON-DIFFRACTION STUDIES ON PHOSPHATIDYLCHOLINE MODEL MEMBRANES .1. HEAD GROUP CONFORMATION [J].
BULDT, G ;
GALLY, HU ;
SEELIG, J ;
ZACCAI, G .
JOURNAL OF MOLECULAR BIOLOGY, 1979, 134 (04) :673-691
[5]   CONSTRUCTION AND MOLECULAR MODELING OF PHOSPHOLIPID SURFACES [J].
CHARIFSON, PS ;
HISKEY, RG ;
PEDERSEN, LG .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1990, 11 (10) :1181-1186
[6]  
Crowe JH, 1990, WATER SCI REV, V5, P1
[7]  
Damm W, 1997, J COMPUT CHEM, V18, P1955, DOI 10.1002/(SICI)1096-987X(199712)18:16<1955::AID-JCC1>3.0.CO
[8]  
2-L
[9]   Structural and functional properties of hydration and confined water in membrane interfaces [J].
Disalvo, E. A. ;
Lairion, F. ;
Martini, F. ;
Tymczyszyn, E. ;
Frias, M. ;
Almaleck, H. ;
Gordillo, G. J. .
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES, 2008, 1778 (12) :2655-2670
[10]   MEMBRANE AND SOLUTION CONFORMATIONS OF MONOGALACTOSYLDIACYLGLYCEROL USING NMR MOLECULAR MODELING METHODS [J].
HOWARD, KP ;
PRESTEGARD, JH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (18) :5031-5040