Table 2.
Protein | Donor a | Acceptor | Distance(Å) b | Angle(°) b | Occupancy(%) c |
---|---|---|---|---|---|
MDM2 | Trp23′-NE1-HE1 | Leu54-O | 2.92 | 146.79 | 97.20 |
Phe19′-N-H | Gln72-OE1 | 3.01 | 151.71 | 71.34 | |
WK23-N8-H75 | Leu54-O | 2.90 | 154.12 | 98.95 | |
MDMX | Trp23′-NE1-HE1 | Met53-O | 2.89 | 140.29 | 98.76 |
Phe19′-N-H | Gln71-OE1 | 3.01 | 150.94 | 69.66 | |
WK23-N8-H103 | Met53-O | 2.92 | 153.75 | 99.29 |
The sign “′” represents the residue belonging to the peptide inhibitor pDI6W;
The hydrogen bonds are determined by the acceptor···donor atom distance of less than 3.5 Å and acceptor···H-donor angle of greater than 120°;
occupancy(%): to evaluate the stability and the strength of the hydrogen bond.