Background: In many important life activities, the execution of protein function depends on the interaction between proteins and ligands. As an important protein binding ligand, the identification of the binding site of the ion ligands plays an important role in the study of the protein function.
Results: In this study, four acid radical ion ligands (NO,CO,SO,PO) and ten metal ion ligands (Zn,Cu,Fe,Fe,Ca,Mg,Mn,Na,K,Co) are selected as the research object, and the Sequential minimal optimization (SMO) algorithm based on sequence information was proposed, better prediction results were obtained by 5-fold cross validation.
Conclusions: An efficient method for predicting ion ligand binding sites was presented.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6905020 | PMC |
| http://dx.doi.org/10.1186/s12860-019-0237-9 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
An efficient coumarin-based thiosemicarbazone probe for ratiometric fluorescent sensing of Zn and application in live cell imaging.
Spectrochim Acta A Mol Biomol Spectrosc
March 2025
Department of Chemistry and Chemical Biology, Indian Institute of Technology (Indian School of Mines), Dhanbad 826004, India. Electronic address:
Selective recognition of Zn in biological and environmental samples is a challenge. An N, N-diethyl substituted coumarin thiosemicarbazone was designed as a fluorogenic sensor, HADICIT, [(E)-2-(1-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)ethylidene)-N-isopropylhy drazine-1-carbothioamide] for the detection of Zn to address the issue. The compound was characterized using FTIR, H NMR, C NMR, and mass spectrometry methods.
View Article and Find Full Text PDFCloning, expression, purification and enzymatic characterization of low-temperature cholesterol esterase from marine Panthenia agglutinosa.
Cryo Letters
March 2025
Institute of Life and health, Dalian University; Liaoning Marine Microbiology Engineering Technology Research Center, Dalian 116622, China.
Background: The low-temperature cholesterol esterase is primarily used in industries such as papermaking and healthcare.
Objective: To discover a microorganism with high cholesterol esterase activity and tolerance to low temperatures, leading to the promotion of the sustainable utilization of marine cold-adapted microbial resources and fostering industrial development.
Materials And Methods: This study isolated a strain producing low-temperature cholesterol esterase from marine samples in the China Bohai Sea.
Synergizing oxygen vacancy engineering and f-Electron doping to Promote dynamics of Rare-Earth-Doped bismuth Oxyhalides for photocatalysis.
J Colloid Interface Sci
March 2025
College of Energy and Mechanical Engineering, Shanghai University of Electric Power, Shanghai 200090, China; Shanghai Non-carbon Energy Conversion and Utilization Institute, Shanghai 200240, China. Electronic address:
Efficient exciton dissociation and surface molecular oxygen activation are crucial for advancing photocatalysis in energy and environmental applications. However, photocatalytic performance is often limited by complex electron-nuclear interactions and strong exciton binding energies, primarily due to significant exciton effects. In this work, we introduce a novel strategy to enhance exciton dissociation by doping samarium (Sm) into bismuth oxoiodide (BiOI) to modulate the concentration of oxygen vacancies (Ov).
View Article and Find Full Text PDFCharge Tuning and Anchor Effect Achieving Stable High-Voltage Layered Metal Oxides for Sodium-Ion Battery.
Angew Chem Int Ed Engl
March 2025
Central South University, College of Chemistry and Chemical Engineering, 932, Lushan south road, Changsha, 410083, Changsha, CHINA.
Layered metal oxides (LMOs) that can stably operate at high voltage are vital to developing high-energy sodium-ion batteries (SIBs). However, the irreversible oxygen redox reaction of LMOs at the high voltage region (i.e.
View Article and Find Full Text PDFEfficacy of Redox-Active Cu(II) Dipyrrin Complexes toward Electrochemical Reduction of CO.
Inorg Chem
March 2025
Department of Chemistry, Institute of Science, Banaras Hindu University, Varanasi, Uttar Pradesh 221005, India.
New D-A-type catalysts based on Cu (II) complexes ( and ) including dipyrrin ligands with phenothiazine/carbazole as the -substituent have been described. The complexes have been thoroughly characterized by various methods (H, C, ESI-MS, EPR, and UV-vis studies), and structures of both and unequivocally determined by X-ray single crystal analyses. The catalysts and are stable at room temperature and exhibit Faradaic efficiency values of ∼56% () and ∼46% () toward homogeneous reduction of CO to CO.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!