Simulation of endo-PG digest patterns and implications for the determination of pectin fine structure.
Novel stepwise approaches to the calculation of enzyme digest patterns are described and used in the validation of a computer simulation. Results obtained using the simulation show that, while a previously proposed model of endo-PG action captures some of the salient features of this enzymes behaviour, it is not sufficient to successfully predict experimental digest patterns from pectic substrates. Subsequently, it has been shown that a modified model incorporating existing information regarding subsite architecture and speculative site tolerances for esterified residues, goes someway towards improving the situation.
Williams
M A
MA
Unilever Research Colworth, Sharnbrook, MK44 1LQ Bedford, UK.
Buffet
G M
GM
Foster
T J
TJ
Norton
I T
IT
D003198:Computer Simulation; D008956:Models, Chemical; D010368:Pectins / Q000737:chemistry* / Q000378:metabolism; D010446:Peptide Fragments / Q000737:chemistry; D011096:Polygalacturonase / Q000378:metabolism*; D012984:Software
D010446:Peptide Fragments; D010368:Pectins; D011096:Polygalacturonase