Effect of adiabaticity on electron dynamics in zinc myoglobin

被引：6

作者：

Cho, BM

Walker, RC

Amer, H

Mercer, I

Klug, DR

Gould, IR ^{[1
]}

机构：

[1] Univ London Imperial Coll Sci Technol & Med, Biol & Biophys Chem Grp, London, England

[2] Univ London Imperial Coll Sci Technol & Med, Mol Dynam Grp, London, England

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2005年 / 109卷 / 12期

关键词：

D O I：

10.1021/jp0470748

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Electron-vibration coupling in zinc substituted myoglobin has been calculated using a quantum mechanical/molecular mechanical method. The methodology has been tested by a direct comparison of the calculated optical observables, the steady-state optical spectra and three-pulse-photon-echo-peak-shift (3PEPS) function, to those experimentally measured showing a qualitative agreement. A range of experiments and calculations were performed to explain the discrepancies, which lead to the conclusion that the discrepancy originates from adiabatic coupling of the two nearly degenerate electronic transitions.

引用

收藏

页码：5954 / 5961

页数：8

相关论文

共 54 条

[1] PHOTOINDUCED ELECTRON-TRANSFER BETWEEN ZINC PROTOPORPHYRIN RECONSTITUTED MYOGLOBIN AND METHYLVIOLOGEN [J].

AONO, S ;

NEMOTO, S ;

OKURA, I .

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1992, 65 (02) :591-593

[2]

ASCOLI F, 1981, METHOD ENZYMOL, V76

[3] DIFFUSION OF SMALL MOLECULES THROUGH THE STRUCTURE OF MYOGLOBIN - ENVIRONMENTAL-EFFECTS [J].

BARBOY, N ;

FEITELSON, J .

BIOCHEMISTRY, 1989, 28 (13) :5450-5456

[4] QUENCHING OF THE ZINC PROTOPORPHYRIN TRIPLET-STATE AS A MEASURE OF SMALL-MOLECULE DIFFUSION THROUGH THE STRUCTURE OF MYOGLOBIN [J].

BARBOY, N ;

FEITELSON, J .

BIOCHEMISTRY, 1987, 26 (11) :3240-3244

[5] ELECTROSTATIC CALCULATIONS OF SIDE-CHAIN PK(A) VALUES IN MYOGLOBIN AND COMPARISON WITH NMR DATA FOR HISTIDINES [J].

BASHFORD, D ;

CASE, DA ;

DALVIT, C ;

TENNANT, L ;

WRIGHT, PE .

BIOCHEMISTRY, 1993, 32 (31) :8045-8056

[6] A WELL-BEHAVED ELECTROSTATIC POTENTIAL BASED METHOD USING CHARGE RESTRAINTS FOR DERIVING ATOMIC CHARGES - THE RESP MODEL [J].

BAYLY, CI ;

CIEPLAK, P ;

CORNELL, WD ;

KOLLMAN, PA .

JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (40) :10269-10280

[7] MOLECULAR-DYNAMICS WITH COUPLING TO AN EXTERNAL BATH [J].

BERENDSEN, HJC ;

POSTMA, JPM ;

VANGUNSTEREN, WF ;

DINOLA, A ;

HAAK, JR .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (08) :3684-3690

[8] The tautomeric state of histidines in myoglobin [J].

Bhattacharya, S ;

Sukits, SF ;

MacLaughlin, KL ;

Lecomte, JTJ .

BIOPHYSICAL JOURNAL, 1997, 73 (06) :3230-3240

[9] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].

BINKLEY, JS ;

POPLE, JA ;

HEHRE, WJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947

[10] Investigations of photolysis and rebinding kinetics in myoglobin using proximal ligand replacements [J].

Cao, WX ;

Ye, X ;

Sjodin, T ;

Christian, JF ;

Demidov, AA ;

Berezhna, S ;

Wang, W ;

Barrick, D ;

Sage, JT ;

Champion, PM .

BIOCHEMISTRY, 2004, 43 (34) :11109-11117

← 1 2 3 4 5 6 →