Extended X‐ray absorption fine structure (EXAFS) investigations of model compounds for zinc enzymes

A test of the ability of extended X‐ray absorption fine structure (EXAFS) to determine structural information with specific reference to zinc sites in enzymes has been made. X‐ray absorption spectra of 18 compounds of zinc have been measured and the nearest‐neighbour scattering has been interpreted...

Full description

Saved in:

Bibliographic Details
Published in:	European journal of biochemistry Vol. 186; no. 3; pp. 667 - 675
Main Authors:	EGGERS‐BORKENSTEIN, Peter, PRIGGEMEYER, Stefan, KREBS, Bernt, HENKEL, Gerald, SIMONIS, Ursula, PETTIFER, Robert F., NOLTING, Hans‐Friedrich, HERMES, Christoph
Format:	Journal Article
Language:	English
Published:	Oxford, UK Blackwell Publishing Ltd 22-12-1989 Blackwell
Subjects:	Analytical, structural and metabolic biochemistry Biological and medical sciences enzymes Enzymes - metabolism Enzymes and enzyme inhibitors Fundamental and applied biological sciences. Psychology General aspects, investigation methods Mathematics Metalloproteins - metabolism Models, Theoretical Spectrum Analysis - methods X-Rays Zinc Enzyme Model compound X ray spectrometry Metalloenzyme EXAFS spectrometry Zinc Structural analysis
Online Access:	Get full text
Tags:	Add Tag No Tags, Be the first to tag this record!

Description
Summary:	A test of the ability of extended X‐ray absorption fine structure (EXAFS) to determine structural information with specific reference to zinc sites in enzymes has been made. X‐ray absorption spectra of 18 compounds of zinc have been measured and the nearest‐neighbour scattering has been interpreted using a Fourier transform and an ab initio technique. Empirical Zn‐N, Zn‐O, Zn‐S and Zn‐Cl amplitude and phase functions have been extracted from Zn(C3H4N2)4(ClO4)2, ZnO, Zn(S2COC2H5)2 and [N(CH3)4]2[ZnCl4], respectively and tabulated as a function of the wavevector with respect to 9660.0 eV X‐ray energy. These amplitude and phase functions were then tested with respect to the other 14 compounds. For a single species of atoms in the first coordination shell the interatomic distances can be established to ± 0.5 pm (± 5 × 10−3Å) whilst when mixed shells exist errors in distances are ±4 pm (± 40 × 10−3Å). Coordination numbers are given to ±16% for the single species case and ±25% for the mixed coordination case. Using the theoretical amplitude and phase functions of McKale et al. [(1988) J. Am. Chem. Soc. 110, 3763–3768] the deduced distances are systematically too small by an average of 0.6 pm (6 × 10−3Å). The errors in the coordination numbers are 18%.
Bibliography:	ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23
ISSN:	0014-2956 1432-1033
DOI:	10.1111/j.1432-1033.1989.tb15258.x