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Interrelations between electronic structure and spatial geometry of specific ligands in the functioning active site of some pyridoxal‐ p ‐dependent enzymes
Author(s) -
Almazov V. P.,
Morozov Yu. V.,
Savin F. A.,
Sukhareva B. S.
Publication year - 1979
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560160408
Subject(s) - chemistry , active site , ionic bonding , substrate (aquarium) , enzyme , electronic structure , computational chemistry , pyridoxal , spectral line , stereochemistry , organic chemistry , ion , quantum mechanics , physics , oceanography , geology
Using a spectrokinetic approach the absorption spectra of the short‐lived transient products in the enzymatic reaction of the glutamate decarboxylase with natural substrate are determined for the first time. The quantum‐chemical calculations of the electronic structure and spectra of various ionic species of numerous vitamin B 6 derivatives allowed a hypothesis on the nature of the intermediate products detected to be suggested. A model of the enzyme functioning taking into account the charge equilibria and some electronic–conformational relations is proposed.