Molecular Orbital studies on the Enzymatic Reaction Mechanism of Serine Proteases. : I. Charge Relay System in Substrate Free State
スポンサーリンク
概要
- 論文の詳細を見る
The electronic properties of the charge relay? systems of serine proteases insubstrate- and solvent-free condition are studied by usjng CNDO/2 naolecularorbital naethod. In order to investigate the coupling of the naotions of two protonswhich transfer from His to Asp and from Ser to His, the potexttial energy surfacesare calculated as the functions of the coordinates of the two protons. Thesesurfaces indicate that the two protons transfer not sintultaneously but in a step-wjse manner; first, one proton transfers frona histidi?ae to aspartate, auad then tlaeother proton transfers from serine to histidine anion. The potential energy curvesare also calculated as the functions of the angle which represents the rotation of0' of Ser-195 about the seryl C"-C' axis. It is found from the curves that O' ofa-chymotrypsin can rotate by approximately 120' if seryl anion is formed.
- 社団法人日本物理学会の論文
- 1977-05-15
著者
-
YOMOSA Sigeo
Department of Physics, Nagoya University
-
Yomosa Sigeo
Department Of Physics Faculty Of Science Nagoya University
-
BEPPU Yoshitaka
Department of Physics,Nagoya University
-
Beppu Yoshitaka
Department Of Physics Faculty Of Science Nagoya University
-
YOMOSA Shigeo
Department of Physics,Nagoya University
-
Yomosa Shigeo
Department of Physics,Faculty of Science,Nagoya University
-
Yomosa Shigeo
Department of Physics, Nagoya University
-
YOMOSA Shigeo
Department of Physics, Medical University of Nara
関連論文
- Exciton Band Structures in Polypeptides
- π-Electronic Structures of DNA-Bases with Normal, Tautomeric and Ionized Forms
- Energy Band Structures in Polypeptides
- Valence Bond Study of the Hydrogen Bond. : II. Excess Charge Effect of the Hydrogen Bond
- A Correction to our Paper "Valence Bond Study of the Hydrogen Bond. I."
- Valence Bond Study of the Hydrogen Bond. I
- Theory of the Excited State of Molecular Complex in Solution
- π-Electronic Structures of the Base Pairs of DNA
- On the Basic Equation for the Equilibrium Electronic States in Polar Solvents-Broken Symmetry-
- Physical Methods for Treating the π-Electron Systems of Biopolymers such as Polypeptides and Polynucleotides in the Huckel Approximation
- ASMO-SCF-CI Calculations on Bacteriochlorophyll and Bacteriopheophytin with Neutral, Monocationic and Monoanionic Forms
- Exciton States in Synthetic Polynucleotides
- Electron Transfer between Molecules in Solution
- Valence Bond Study of the Hydrogen Bond. : III. Formation and Migration of Ionic Defects in Water and Ice
- Dynamics of the Protons in One-Dimensional Hydrogen-Bonded Systems
- Molecular Orbital Studies on the Enzymatic Reaction Mechanism of Serine Proteases. : II. Nucleophilic Attack of the O^γ Atom of Ser-195 during the Acylation of α-Chymotrypsin
- Temperature Dependence of the Excitation Transfer in Photosynthetic Systems
- Molecular Orbital studies on the Enzymatic Reaction Mechanism of Serine Proteases. : I. Charge Relay System in Substrate Free State
- Solitary Waves in One-Dimensional Hydrogen-Bonded Systems
- π-Electronic Contribution to the Conformation of DNA
- Nonlinear Schrodinger Equation on the Molecular Complex in Solution : Towards a Biophysics
- On the Theory of the Association of Hemoglobin with Oxygen
- The Exciton in Protein
- Circular Charge Density Wave and Screening of π Electron Interaction in Large Ring Polyenes
- Diffuse Scattering of X-rays by a Point-Imperfection in Diamond Lattice
- Statistical Mechanics of Antiferromagnetic Layer Crystal, FeCl_2
- Charge-Transfer Molecular Compounds in Biological Systems
- Effect of Permanent Dipole Moments on the Hypochromism in Helical Polymers
- Exciton Band Structures in Homopolynucleotides
- Theory of the Susceptibility and Specific Heat of He^3
- Theory of Charge Transfers in Polypeptides, I. Essential Roles of Electron-Vibration Interactions
- Molecular Mechanism for the Initial Process of Visual Excitation. : II. Theoretical Analysis of Optical Activity in Rhodopsin and Bathorhodopsin
- The Phase Transition and the Piezoelectric Effect of KH_2PO_4.
- Condition for the Occurrence of Complex Coacervation in Low Polymer Concentration
- Exact Solutions of the Secular Equations in the HMO Treatment for Chain Molecules of Finite Length