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WE?DLJHKL I E : K L H P BK: LG BB EG: < K L J H ? G G G ? FL BJ : G K
: D : F ?


Q B? K H > B? O K L < B FD C > ? G HJ C G B C F; : H J : G ? G U FH B< U F B ; ED :FB

D g y H ., \ D h \ Z e B ., d : h [ Z l m j h \F Z J b a g b q.= _ X d h .a K Z _ . _ g; .: ., g ., = j Z q _ .? \ ., J m [ b .: g .; :

. , . ,

< \ _ ^ _ .g b _ , ) . , 2001). 2, , b6f 1 .

( , , (Albertsson, 1, b6f -

(Albertsson, 2001). , , .. : 1,2-diacyl-3-O-( D-galactopyranosyl)-sn-glycerol ( , MGDG, 50%) 1,2-diacyl-3-O-( -D-galactopyranosyl-1(->6)- -D-galactopyranosyl)sn-glycerol ( , DGDG, 30%) (Joyard, Dource, 1987; Seigenthaler, Rawyler et al. 1987). 15-20% : 1',2'-diacyl-3'-O-(6-deoxy-6-sulfo- -Dglucopyranosy)-sn-glucerol (sulfoquinosovyl-diacylgrycerol SQDG) ( , PG), :

212


. ., . ., . ., ... -- ­ 2009, . 2, . 212­220 Knyazeva O. S., Kovalenko I. B., Abaturova A. M., ... -- MCE ­ 2009, v. 2, pp. 212­220

pH (Joyard, Dource, 1987; Seigenthaler, Rawyler et al., 1987). b6f 1 . -

, ( ( , , 1992; Hope, 1993; Gross, 1996)) , (4-10 (Mehta, Sarafis et al., 1999)) (40 28 30 е), 1. (Hope, 2000; Kleanthous, 2000; Malkin, Niyogi, 2000; Kovalenko, Abaturova et al., 2006). -

, 2003; Kovalenko, Abaturova et al., 2006; 2007; , ., 2008). F h ^ _ f e_ v [ j Z . g u f , ( . 1). , . . f.

( ,

,

., ., b6f -

, (PG SQDG) :

N

ch arg es

=
type

pi Si /S

memb

. ii. , Si -- -

pi -- ,

213


6. . Part 6. Analysis of Complex Biological Systems. Models and Experiment

, ( )

( .

)

J b1.k .

. .

-

F _ l h j ^ Z k q _ il h l _ g . p b Z e Z Z

, . ( , ., 1985):

-

( (r ) (r )) = -

1



(r ) ,
. , = 80 : -

0

(r ) --
; (r ) --

=2

.

=

ci = c
ions

ion

+

prot

+

memb

, , -- , , , Wi -- ., 1985),

(r ) =

ci z i e0 ,
i

zi --
bulk i

exp(Wi / kT ) ,

-- , Wi = z i e0 (r ) (
ci

bulk

214


. ., . ., . ., ... -- ­ 2009, . 2, . 212­220 Knyazeva O. S., Kovalenko I. B., Abaturova A. M., ... -- MCE ­ 2009, v. 2, pp. 212­220
- zi e0 ( r ) kT



ions

(r ) =
i

c

bulk i

e0 z i e

.

zi e0 <1 kT :



ions



ions

(r ) =
i

ci

bulk

zi e0 e

- zi e0 ( r ) kT


i

ci

bulk

zi e0 -
i

ci

bulk

zi e0

zi e0 (r ) = kT

=-
i

ci

bulk

zi 2 e0 1 2

2

(r )
kT
bulk

,
2

I=

ci
i

zi [1/ 3],



ions

(r ) -2Ie0

2

(r )
kT 2

(Ullmann, 2004).

:
( (r ) (r )) = - 1



(

prot

(r ) +

memb

(r )) + (r )

0

2 Ie0 . 0 kT ,

( (r ) (r ))
V i , j ,k Vi
jk

( (r ) (r )) ,
i, j,k m

( (r ) (r )) = - h
V
ijk



ijk

m

+h
m



ijk

m



ijk

m

,

(-
V

1



( h
3

prot

(r ) +
prot ijk

memb

(r )) + (r )
memb ijk

0

2 Ie0 2 ) 0 kT
k


i , j ,k

(-



(q

(r ) + q

(r )) + ij

0

2h3 Ie0 2 ), 0 kT

:
6

h

m
m =1

n -1 m

+

1



n

i, j,k

=

0h
6

(q

prot

i, j,k

+q

memb

i, j,k

) ,

m + kh
m =1

2

215


6. . Part 6. Analysis of Complex Biological Systems. Models and Experiment

k=

2Ie0 ,h-- 0 kT i, j , k ,

2

,

n

i , j ,k

--

n-

, m --

. -

i, j , k
. , . , (>50 е) . (q
memb

, , , , ,q . ( -

prot

), -

),

. J _ a m .e v l Z . l2 u f.

1983)

.

(Connolly, .

J .b k 2.
, , -- . -- --

( .

)

f(

). -

,

216


. ., . ., . ., ... -- ­ 2009, . 2, . 212­220 Knyazeva O. S., Kovalenko I. B., Abaturova A. M., ... -- MCE ­ 2009, v. 2, pp. 212­220

. 3­5 (6.5 , . ) pH

-

-

J .b k 3.
, pH=7, I=100 mM.

(+6.5

­6.5

)

-

J .b k 4. , pH=7, I=150 mM.

(+6.5

­6.5

)

-

217


6. . Part 6. Analysis of Complex Biological Systems. Models and Experiment

J .b k 5. , pH=7, I=50 mM.

(+40

­40

)

-

. 3­5 100 е, 50 е. 1 (PSI). b6f f (cyt f, ).

, , (­6.5 ), (+6.5

400x400 е , ­ , , .
02.512.11.213;

).

. 3­5, . , , . AZde. q_gb_ x -- .

b6f
-853.2008.4.

1
07-04-00375, 08-04-00354;

218


. ., . ., . ., ... -- ­ 2009, . 2, . 212­220 Knyazeva O. S., Kovalenko I. B., Abaturova A. M., ... -- MCE ­ 2009, v. 2, pp. 212­220

Albertsson P.-A. A quantitative model of the domain structure of the photosynthetic membrane // TRENDS in Plant Science. -- 2001. -- Vol. 6, no. 8. -- P. 349­354. Connolly M.L. Analytical molecular surface calculation // Journal of applied crystallography. -- 1983. -- Vol. 16. -- P. 548-558. Gross E.L. Plastocyanin: structure, location, diffusion and electron transfer mechanisms // Biochemistry & Molecular Biology of Plants. / Ed. by B. Buchanan, W. Gruissem, R. Jones. -- Kluwer Academic Publishers, 1996. --P. 413­429. Hope A.B. The chloroplast cytochrome bf complex: a critical focus on function // Biochim. Biophys. Acta. -- 1993. -- Vol. 1143. -- P. 1­22. Hope A.B. Electron transfers amongst cytochrome f, plastocyanin and photosystem I: kinetics and mechanisms // Biochim. Biophys. Acta. -- 2000. -- Vol. -- 1456. -- P. 5­26. Joyard J., Dource R. Galactolipid biosynthesis. / Biochemistry of plant. Lipids: Structure and Function. -- New York, Academic Press, 1987. -- P. 215­274. Kleanthous C. Protein-protein recognition. -- New York: Oxford University Press, 2000. Kovalenko I.B., Abaturova A.M., Gromov P.A., Ustinin D.M., Grachev E.A., Riznichenko G.Y., Rubin A.B. Direct simulation of plastocyanin and cytochrome f interactions in solution // Phys. Biol. -- 2006. -- Vol. 3. -- P. 121­129. Malkin R., Niyogi K. Photosynthesis // Biochemistry & Molecular Biology of Plants. / Ed. by B. Buchanan, W. Gruissem, R. Jones. -- Kluwer Academic Publishers, 2000. -- P. 413­429. Mehta M., Sarafis V., Critchley C. Thylakoid membrane architecture. // Aust. J. Plant Physiol. -- 1999. -- Vol. 26. -- P. 709­716. Seigenthaler P.A., Rawyler A., Giroud C. Spatial organization and functional roles of acyl lipids in thylakoid membranes / Biochemistry of plant. Lipids: Structure and Function. -- New York, Academic Press, 1987. -- P.161­168. Ullmann G. M. Macromolecular Electrostatics. -- University Heidelberg. -- 2004. http://www.iwr.uni-heidelberg.de/ . ., . ., .. .-- : , 1985. . ., . ., . ., . ., . ., . ., .. f // . -- 2008. -- . 53, 2. -- . 261­270. . ., . ., . ., . ., . ., .. // . -- 2007. -- . 52, 3. -- . 492­502.
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6. . Part 6. Analysis of Complex Biological Systems. Models and Experiment

. ., . .,

. ., . 1 // .,

. ., ..

. .,

. ., -

. ., , 1992.

.. .--

. -- 2003. -- . 48, 4. -- . 656­665. . : -

SIMULATION OF ELECTROSTATIC INTERACTIONS OF PLASTOCYANIN WITH THYLAKOID MEMBRANE AND TRANSMEMBRANE PROTEIN COMPLEXES Knyazeva O. S., Kovalenko I. B., Abaturova A. M., Riznichenko G. Yu., Grachev E. A., Rubin A. B.

The paper is devoted to design of the method of electrostatic interaction of protein plastocyanin with thylakoid membrane and transmembrane protein complexes. Using Poisson-Boltzmann equation we calculated electrostatic potentials of the thylakoid membrane and the proteins involved in electron transfer at different values of the ionic strength.

220