Figure 1

An example of an enzyme channel identified by MOLE 2.0. Internal, middle and external parts of the channel in pyridoxal-5'-phosphate-dependent acyl-CoA transferase (PDBID: 3KKI) are colored orange, red and magenta, respectively. Active site amino acids (present in the internal part of the channel) are shown in green, amino acids in the middle part making the wall of a local minimum (channel narrowing) are in yellow, and amino acids in the external part lining the bottleneck are in blue.