Computational Analysis of Protein Tunnels and Channels
Jazyk angličtina Země Spojené státy americké Médium print
Typ dokumentu časopisecké články, práce podpořená grantem
- Klíčová slova
- Binding, CAVER, Channel, Gate, Protein, Rational design, Software, Transport, Tunnel,
- MeSH
- algoritmy MeSH
- konformace proteinů MeSH
- ligandy MeSH
- molekulární modely MeSH
- proteinové inženýrství metody MeSH
- proteiny chemie MeSH
- rozpouštědla chemie MeSH
- software MeSH
- výpočetní biologie metody MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
- Názvy látek
- ligandy MeSH
- proteiny MeSH
- rozpouštědla MeSH
Protein tunnels connecting the functional buried cavities with bulk solvent and protein channels, enabling the transport through biological membranes, represent the structural features that govern the exchange rates of ligands, ions, and water solvent. Tunnels and channels are present in a vast number of known proteins and provide control over their function. Modification of these structural features by protein engineering frequently provides proteins with improved properties. Here we present a detailed computational protocol employing the CAVER software that is applicable for: (1) the analysis of tunnels and channels in protein structures, and (2) the selection of hot-spot residues in tunnels or channels that can be mutagenized for improved activity, specificity, enantioselectivity, or stability.
Citace poskytuje Crossref.org
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