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
Issue tracker
https://github.com/maltesie/bridge/issues