Tabel II.
Prediction on NMR holo Structures
| Protein | ID | Ma | Lb | True ligands | Predicted ligands |
|---|---|---|---|---|---|
| Epidermal growth factor receptor pathway substrate 15 | 1C07 | 20 | 95 | D28, D30, D32, F34, E39 | D28, D32, F34, E39 |
| Calcium binding protein NCS-1 | 1FPW | 20 | 190 | D73, D75, N77, F79, E84 | D73, N77, F79, E84 |
| D109, N111, D113, Y115, E120 | D109, N111, D113, Y115, E120 | ||||
| D157, N159, D161, Y163, E168 | D157, N159, D161, Y163, E168 | ||||
| Calmodulin | 2BBM | 1 | 148 | D20, D22, D24, T26, E31 | D20, D24, T26, E31 |
| D56, D58, N60, T62, E67 | D56, D58, N60, T62, E67 | ||||
| D93, D95, N97, Y99, E104 | D93, D95, N97, Y99, E104 | ||||
| N129, D131, D133, D135, E140 | N129, D131, D133, E140 | ||||
| Parvalbumin | 2PAS | 9 | 109 | D51, D53, S55, F57, E62 | D51, D53, F57, E62 |
| D90, D92, D94, K96, E101 | D90, D92, D94, K96 | ||||
| Calbindin D9K | 2BCB | 32 | 75 | A14, E17, D19, Q22, E27 | A14, E17, D19, Q22, E27 |
| D54, N56, D58, E60, E65 | D54, N58, E60, E65 | ||||
| Troponin C | 1TNW | 23 | 162 | D30, D32, G34, D36, E41 | D30, G33, D36, E41 |
| D66, D68, S70, T72, E77 | D66, T72, D74, E77 | ||||
| D106, N108, D110, F112, E117 | N108, A109, D110 | ||||
| D142, N144, D146, R148, E153 | D142, D146, R148, E153 |
All structures are calcium-loaded. 2BCB and 1TNW (italic) are calculated without using calcium constraints.
a
The number of models in a PDB file.
b
The length (number of residues) of a protein.