ISSN:
0006-3525
Keywords:
Chemistry
;
Polymer and Materials Science
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Connectors for CPK space-filling molecular models have been supplemented with pointed steel wires (φ = 1.59 mm) of appropriate lengths and positions to represent atomic bonds. For illustration purposes, the polypeptide backbone of glucagon was equipped with such wire-core connectors and given a possible conformation. The molecular model was packed into a cubic box and, using a clinical instrument, X-ray films were taken from three orthogonal directions. Atomic coordinates on the films were then corrected to real-space coordinates.This method for retrieving atomic coordinates from space-filling models of modium-sized polypeptides is easy and can be done wih equipement available everywhere. Coordinates obtained in this way should be useful as starting points for energy minimization, for the calculation of frictional coefficients, and in attempts to solve crystal structures by X-ray diffraction, using molecular replacement methodology.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/bip.1976.360150915
