From: Computational analyses of curcuminoid analogs against kinase domain of HER2
System | Donor | Acceptor | % occupied | distance (Ã…) | |||
---|---|---|---|---|---|---|---|
SYR-HER2TK | Met801 | N | H | SYR | N11 | 94.73 | 3.128 ± 0.15 |
 | SYR | O1 | H1 | Asp863 | OD1 | 10.67 | 2.761 ± 0.17 |
AS-KTC006-HER2TK | Thr862 | OG1 | HG1 | AS-KTC006 | O24 | 34.67 | 2.851 ± 0.18 |
 | Cys805 | N | H | AS-KTC006 | O25 | 10.17 | 3.191 ± 0.18 |
 | AS-KTC006 | O21 | H39 | Asp863 | O | 9.17 | 2.758 ± 0.16 |
AS-KTC021-HER2TK | Cys805 | N | H | AS-KTC021 | O22 | 35.97 | 3.142 ± 0.18 |
 | Thr862 | OG1 | HG1 | AS-KTC021 | O21 | 5.37 | 3.100 ± 0.20 |