Table 3.
Detected Communities and their features for AlphaSpace mapping of CDK2 shown in Fig 5. Binding partners detected from other CDK2 or related CDK proteins are listed in the “Binding Partners” column.
Community Index | Binding Partners | Color | alpha-space (Å3) | BScore (kcal/mol) | Volume (Å3) | % Occupied |
---|---|---|---|---|---|---|
1 | ATP | Green | 1470 | −28.6 | 878 | 30 |
2 | Substrate (P,P+1,P+4) | Yellow | 1155 | −18.7 | 757 | 21 |
3 | None | Pink | 889 | −15.3 | 622 | - |
4 | Cyclin A, Cyclin E | Teal | 886 | −19.8 | 732 | 14 |
5 | p27 Inhibitory Protein | Orange | 659 | −13.6 | 547 | - |
6 | Substrate (P-2,P-3) | Blue | 647 | −15.5 | 509 | 14 |
7 | Fragment binding Site | Purple | 457 | −10.3 | 414 | 30 |
8 | None | Lt Blue | 406 | −9.6 | 258 | - |
9 | Cyclin A, Cyclin E | Peri | 350 | −5.4 | 219 | 54 |
10 | None | Peach | 335 | −6.7 | 247 | - |
11 | None | Tan | 286 | −5.5 | 185 | - |
12 | None | Plum | 283 | −7.3 | 351 | - |
13 | CKS2 Regulatory Protein | Lt Green | 260 | −6.9 | 242 | 37 |
14 | Cyclin A, Cyclin E | Olive | 173 | −5.7 | 212 | 64 |
15 | None | Red | 131 | −3.4 | 120 | - |
16 | None | Lt Pink | 111 | −2.0 | 77 | - |