caa a22 4500 60551237X CHVBK 20210128100655.0 cr unu---uuuuu 210128e20151001xx s 000 0 eng 10.1007/s00894-015-2798-7 doi (NATIONALLICENCE)springer-10.1007/s00894-015-2798-7 Protein modeling and molecular dynamics simulation of SlWRKY4 protein cloned from drought tolerant tomato ( Solanum habrochaites ) line EC520061 [Elektronische Daten] [Suhas Karkute, Murugesh Easwaran, Ranjit Gujjar, Shanmughavel Piramanayagam, Major Singh] WRKY genes are members of one of the largest families of plant transcription factors and play an important role in response to biotic and abiotic stresses, and overall growth and development. Understanding the interaction of WRKY proteins with other proteins/ligands in plant cells is of utmost importance to develop plants having tolerance to biotic and abiotic stresses. The SlWRKY4 gene was cloned from a drought tolerant wild species of tomato (Solanum habrochaites) and the secondary structure and 3D modeling of this protein were predicted using Schrödinger Suite-Prime. Predicted structures were also subjected to plot against Ramachandran's conformation, and the modeled structure was minimized using Macromodel. Finally, the minimized structure was simulated in the water environment to check the protein stability. The behavior of the modeled structure was well-simulated and analyzed through RMSD and RMSF of the protein. The present work provides the modeled 3D structure of SlWRKY4 that will help in understanding the mechanism of gene regulation by further in silico interaction studies. Springer-Verlag Berlin Heidelberg, 2015 Drought nationallicence Molecular dynamic simulation nationallicence Protein modeling nationallicence 3D structure nationallicence Tomato nationallicence WRKY nationallicence Karkute Suhas Division of Crop Improvement, Indian Institute of Vegetable Research, 221305, Varanasi, UP, India aut Easwaran Murugesh Department of Bioinformatics, Bharathiar University, 641 046, Coimbatore, TN, India aut Gujjar Ranjit Division of Crop Improvement, Indian Institute of Vegetable Research, 221305, Varanasi, UP, India aut Piramanayagam Shanmughavel Department of Bioinformatics, Bharathiar University, 641 046, Coimbatore, TN, India aut Singh Major Division of Crop Improvement, Indian Institute of Vegetable Research, 221305, Varanasi, UP, India aut Journal of Molecular Modeling Springer Berlin Heidelberg 21/10(2015-10-01), 1-8 1610-2940 21:10<1 2015 21 894 https://doi.org/10.1007/s00894-015-2798-7 text/html Onlinezugriff via DOI BK010053 XK010053 XK010000 Metadata rights reserved Springer special CC-BY-NC licence nationallicence 1 research-article jats NATIONALLICENCE NATIONALLICENCE NL-springer NATIONALLICENCE 856 40 https://doi.org/10.1007/s00894-015-2798-7 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Karkute Suhas Division of Crop Improvement, Indian Institute of Vegetable Research, 221305, Varanasi, UP, India aut NATIONALLICENCE 700 1- Easwaran Murugesh Department of Bioinformatics, Bharathiar University, 641 046, Coimbatore, TN, India aut NATIONALLICENCE 700 1- Gujjar Ranjit Division of Crop Improvement, Indian Institute of Vegetable Research, 221305, Varanasi, UP, India aut NATIONALLICENCE 700 1- Piramanayagam Shanmughavel Department of Bioinformatics, Bharathiar University, 641 046, Coimbatore, TN, India aut NATIONALLICENCE 700 1- Singh Major Division of Crop Improvement, Indian Institute of Vegetable Research, 221305, Varanasi, UP, India aut NATIONALLICENCE 773 0- Journal of Molecular Modeling Springer Berlin Heidelberg 21/10(2015-10-01), 1-8 1610-2940 21:10<1 2015 21 894