Table 1.
The comparisons of docking scores of AMs in various allosteric binding sites (kcal/mol).
Site B | Site C | Site G | Site H | Site I | Site J | Site K | |
---|---|---|---|---|---|---|---|
C−2 | −7.26 | N/A * | −6.68 | −7.20 | −7.31 | −5.64 | −6.95 |
TBC | −6.04 | −4.44 | −5.42 | −2.79 | −6.39 | −4.35 | −5.75 |
CBD | −6.28 | −4.74 | −5.89 | −4.21 | −5.92 | −4.13 | −5.78 |
* N/A: based on the reported crystal structures, we suggested that C-2 (PAM) did not bind to site C.