Bridge

Bridge analyzes hydrogen-bond networks in membrane proteins, identifying protein–water hydrogen-bond pathways and transient long-distance bridges relevant to proton transfer in transporters, receptors, and proteins such as channelrhodopsin.


Key Features:

  • Graph-Based Analysis: Employs a graph-based algorithm to map and analyze hydrogen-bond networks in membrane proteins.
  • Efficient Network Identification: Identifies extensive networks of protein–water hydrogen bonds that are critical for proton transfer reactions in proteins like channelrhodopsin.
  • Dynamic Structural Insights: Reveals transient networks that can bridge two proton donors over distances up to approximately 20 Å, indicating long-distance communication within membrane proteins.

Scientific Applications:

  • Structural Biology and Numerical Simulations: Elucidates hydrogen-bond networks to support structural analysis and numerical simulations of membrane proteins.
  • Protein Dynamics Analysis: Tracks rapid propagation of structural changes within hydrogen-bond networks, including in mutant transporters, to investigate groups important for proton transfer activities.

Methodology:

Utilizes a tailored graph-based algorithm to analyze hydrogen-bond networks and generates graphical representations of these bonds to visualize dynamic interactions.

Topics

Details

License:
GPL-3.0
Tool Type:
plugin
Programming Languages:
Python, PyMOL
Added:
1/9/2020
Last Updated:
1/7/2021

Operations

Publications

Siemers M, Lazaratos M, Karathanou K, Guerra F, Brown LS, Bondar A. Bridge: A Graph-Based Algorithm to Analyze Dynamic H-Bond Networks in Membrane Proteins. Journal of Chemical Theory and Computation. 2019;15(12):6781-6798. doi:10.1021/acs.jctc.9b00697. PMID:31652399.

PMID: 31652399
Funding: - Deutsche Forschungsgemeinschaft: SFB 1078 - Canadian Network for Research and Innovation in Machining Technology, Natural Sciences and Engineering Research Council of Canada: RGPIN-2013-250202

Documentation

Links