Plant cytochrome P450s play key roles in the diversification and functional modification of plant natural products.Although over 200,000 plant P450 gene sequences have been recorded,only seven crystalized P450 genes s...Plant cytochrome P450s play key roles in the diversification and functional modification of plant natural products.Although over 200,000 plant P450 gene sequences have been recorded,only seven crystalized P450 genes severely hampered the functional characterization,gene mining and engineering of important P450s.Here,we combined Rosetta homologous modeling and MD-based refinement to construct a high-resolution P450 structure prediction process(PCPCM),which was applied to 181 plant P450s with identified functions.Furthermore,we constructed a ligand docking process(PCPLD)that can be applied for plant P450s virtual screening.10 examples of virtual screening indicated the process can reduce about 80%screening space for next experimental verification.Finally,we constructed a plant P450 database(PCPD:http://p450.biodesign.ac.cn/),which includes the sequences,structures and functions of the 181 plant P450s,and a web service based on PCPCM and PCPLD.Our study not only developed methods for the P450-specific structure analysis,but also introduced a universal approach that can assist the mining and functional analysis of P450 enzymes.展开更多
Database system is the infrastructure of the modern information system. The R＆D in the database system and its technologies is one of the important research topics in the field. The database R＆D in China took off la...Database system is the infrastructure of the modern information system. The R＆D in the database system and its technologies is one of the important research topics in the field. The database R＆D in China took off later but it moves along by giant steps. This report presents the achievements Renmin University of China （RUC） has made in the past 25 years and at the same time addresses some of the research projects we, RUC, are currently working on. The National Natural Science Foundation of China supports and initiates most of our research projects and these successfully conducted projects have produced fruitful results.展开更多
基金supported by grants from the National Key R&D Program of China(2020YFC1316400 and No.2019YFA0905700)the National Natural Science Foundation of China(NSFC,Grant Nr.31670100)+1 种基金as well as grants by the NSFC(81560621)the National Science Fund for Excellent Young Scholars(31922047).
文摘Plant cytochrome P450s play key roles in the diversification and functional modification of plant natural products.Although over 200,000 plant P450 gene sequences have been recorded,only seven crystalized P450 genes severely hampered the functional characterization,gene mining and engineering of important P450s.Here,we combined Rosetta homologous modeling and MD-based refinement to construct a high-resolution P450 structure prediction process(PCPCM),which was applied to 181 plant P450s with identified functions.Furthermore,we constructed a ligand docking process(PCPLD)that can be applied for plant P450s virtual screening.10 examples of virtual screening indicated the process can reduce about 80%screening space for next experimental verification.Finally,we constructed a plant P450 database(PCPD:http://p450.biodesign.ac.cn/),which includes the sequences,structures and functions of the 181 plant P450s,and a web service based on PCPCM and PCPLD.Our study not only developed methods for the P450-specific structure analysis,but also introduced a universal approach that can assist the mining and functional analysis of P450 enzymes.
基金Supported by the National Natural Science Foundation of China. Acknowledgements The National Science Foundation of China supported these works. Thanks to NSFC and all the members of the research groups in Renmin University of China.
文摘Database system is the infrastructure of the modern information system. The R＆D in the database system and its technologies is one of the important research topics in the field. The database R＆D in China took off later but it moves along by giant steps. This report presents the achievements Renmin University of China （RUC） has made in the past 25 years and at the same time addresses some of the research projects we, RUC, are currently working on. The National Natural Science Foundation of China supports and initiates most of our research projects and these successfully conducted projects have produced fruitful results.
