Current database version : ChEMBL:23 PDB:2018.06.04 Uniprot:2018.06.04
Interactive binding mode exploration
Below is the representation of the non-bounded interactions between ligands and residues in the ATP binding site of the selected protein kinase.
Each of the 85 residues is represented by eight types of interactions :
- (Column 0) hydrophobic contacts (HYD)
- (Column 1) aromatic face to face (AFF)
- (Column 2) aromatic edge to face (AEF)
- (Column 3) hydrogen bond with protein as hydrogen bond donor (HBD)
- (Column 4) hydrogen bond with protein as hydrogen bond acceptor (HBA)
- (Column 5) salt bridges with positively charged protein (PSB)
- (Column 6) salt bridges with negatively charged protein (NSB)
- (Column 7) salt bridges having an ionic bond with metal ion (ISB)
Interactions are encoded in two colors :
Absence of interaction
Presence of interaction
To get all residues you can zoom on the heatmap by selecting an area.
To visualize all information, including bioactivity data on a ligand-target pair, you can click anywhere on a row of the heatmap.
(see User Guide for complete information about non-bounded interaction in KinoMine).