ArticleProteins2009
The role of conserved water molecules in the catalytic domain of protein kinases.
Article in Proteins, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.
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Who cites it
20 citing papers in PubMed.
- A PKA-selective inhibitor captures an open but more ordered conformation of the PKA catalytic subunit.Proceedings of the National Academy of Sciences of the United States of America · 2026Article
- Characterization and structural analysis of the endo-1,4-β-xylanase GH11 from the hemicellulose-degrading Thermoanaerobacterium saccharolyticum useful for lignocellulose saccharification.Scientific reports · 2023Article
- Water potential governs the effector specificity of the transcriptional regulator XylR of Pseudomonas putida.Environmental microbiology · 2023Article
- The Essential Role of Water Molecules in the Reaction Mechanism of Protein O-Fucosyltransferase 2.Angewandte Chemie (International ed. in English) · 2022Article
- Osmosensing by WNK Kinases.Molecular biology of the cell · 2021Article
- Combining Evolutionary Conservation and Quantum Topological Analyses To Determine Quantum Mechanics Subsystems for Biomolecular Quantum Mechanics/Molecular Mechanics Simulations.Journal of chemical theory and computation · 2021Article
- Molecular characterization of ebselen binding activity to SARS-CoV-2 main protease.Science advances · 2020Article
- Novel Sequence Feature of SecA Translocase Protein Unique to the Thermophilic Bacteria: Bioinformatics Analyses to Investigate Their Potential Roles.Microorganisms · 2019Article
- Zooming in on protons: Neutron structure of protein kinase A trapped in a product complex.Science advances · 2019Article
- Putative role of invariant water molecules in the X-ray structures of family G fungal endoxylanases.Journal of biosciences · 2018Article
- Water-mediated conformational preselection mechanism in substrate binding cooperativity to protein kinase A.Proceedings of the National Academy of Sciences of the United States of America · 2018Article
- Article
- Role of Internal Water on Protein Thermal Stability: The Case of Homologous G Domains.The journal of physical chemistry. B · 2015Article
- Covalent docking of selected boron-based serine beta-lactamase inhibitors.Journal of computer-aided molecular design · 2015Article
- Identification of a hidden strain switch provides clues to an ancient structural mechanism in protein kinases.Proceedings of the National Academy of Sciences of the United States of America · 2013Article
- Molecular interactions of c-ABL mutants in complex with imatinib/nilotinib: a computational study using linear interaction energy (LIE) calculations.Journal of molecular modeling · 2012Article
- The role of conserved waters in conformational transitions of Q61H K-ras.PLoS computational biology · 2012Article
- Hydration studies on the archaeal protein Sso7d using NMR measurements and MD simulations.BMC structural biology · 2011Article
- Bound water at protein-protein interfaces: partners, roles and hydrophobic bubbles as a conserved motif.PloS one · 2011Article
- M-ORBIS: mapping of molecular binding sites and surfaces.Nucleic acids research · 2011Article
Corrections and comments
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Authors and funding
4 authors.
Funding
Abstract
Protein kinases are essential signaling molecules with a characteristic bilobal shape that has been studied for over 15 years. Despite the number of crystal structures available, little study has been directed away from the prototypical functional elements of the kinase domain. We have performed a structural alignment of 13 active-conformation kinases and discovered the presence of six water molecules that occur in conserved locations across this group of diverse kinases. Molecular dynamics simulations demonstrated that these waters confer a great deal of stability to their local environment and to a key catalytic residue. Our results highlight the importance of novel elements within the greater kinase family and suggest that conserved water molecules are necessary for efficient kinase function.
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