Isopeptor: a tool for detecting intramolecular isopeptide bonds in protein structures.

ABSTRACT:

Motivation

Intramolecular isopeptide bonds contribute to the structural stability of proteins, and have primarily been identified in domains of bacterial fibrillar adhesins and pili. At present, there is no systematic method available to detect them in newly determined molecular structures. This can result in mis-annotations and incorrect modeling.

Results

Here, we present Isopeptor, a computational tool designed to predict the presence of intramolecular isopeptide bonds in experimentally determined structures. Isopeptor utilizes structure-guided template matching via the Jess software, combined with a logistic regression classifier that incorporates root mean square deviation and relative solvent accessible area as key features. The tool demonstrates a precision of 1.0 and

SUBMITTER: Costa F 

PROVIDER: S-EPMC11919812 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature