Fig. 3
From: KRDS: a web server for evaluating drug resistance mutations in kinases by molecular docking
Job submission page. a In Curated Kinase Docking, the UniProt ID, residue position, and mutant amino acid should be specified in Kinase and Mutational Substitutions. The PubChem ID is allowed in Batch Query for Kinase Inhibitors. b In User Input Kinase Docking, users can upload a PDB format file for a kinase structure and a MOL2 or SDF format file for a ligand structure, which should be of a three-dimensional conformer. Specification of the drug binding site will result in docking around the given three-dimensional coordinate. The list of mutations in the form of chain name, residue index, and mutation amino acid should be given in the Mutation List text box