mkt.schema.constants.DICT_MOLECULAR_BRAKE

mkt.schema.constants.DICT_MOLECULAR_BRAKE = {'VIII:79': 'K', 'b.l:37': 'N', 'hinge:46': 'E'}

Dictionary mapping KLIFS pocket region:idx to the corresponding canonical molecular brake residue (N, E, K). The molecular brake is a conserved triad that latches the active site into an autoinhibited state, characterized in FGFR (Asn-Glu-Lys; Chen et al., Mol Cell 2007). This dictionary can be used to identify the molecular brake residues in kinases based on their KLIFS pocket region and index. Some positions require an index offset before lookup – see DICT_MOLECULAR_BRAKE_OFFSET.

Type:

dict[str, str]