Research data of the paper "Homology modeling and molecular docking provide insights into the identification of KCS enzymes involved in nervonic acid synthesis in yellow horn"
Data file 1: template file in PDB format; XsKCS protein sequence file in fasta format; XsKCS protein structure file in PDB and PDBQT format. Data file 2: the MOL2 and PDBQT format files of 9 kinds of fatty acyl coenzyme A. Data file 3: configuration file and result file of molecular docking. Data file 4: result file predicted by TMHMM server. Data file 5: result file predicted by COACH server. Software:SWISS-MODEL, SAVES(v6.0), Chem3D(20.1.1), AutoDock vina(v1.2.3), TMHMM(v2.0), C-I-TASSER