HOMOLOGY MODELING OF HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN AND EOSINOPHIL-DERIVED NEUROTOXIN - CONSTRUCTION OF MODELS AND COMPARISON WITH EXPERIMENT

Homology modeling methods have been used to construct models of two pr oteins-the histidine-containing phosphocarrier protein (HPr) from Myco plasma capricolum and human eosinophil-derived neurotoxin (EDN). Compa rison of the models with the subsequently determined X-ray crystal str uctures indicates that the core regions of both proteins are reasonabl y well reproduced, although the template structures are closer to the X-ray structures in these regions-possible enhancements are discussed. The conformations of most of the side chains in the core of HPr are w ell reproduced in the modeled structure. As expected, the conformation s of surface side chains in this protein differ significantly from the X-ray structure. The loop regions of EDN were incorrectly modeled--re asons for this and possible enhancements are discussed. (C) 1995 Wiley -Liss, Inc.