Results for job id P00090
Job information:
Job id: P00090
Job name: dud_gart
Job starting time: 2017-12-25/08:25:38
Job ending time: 2017-12-25/08:40:19
ligand MOL2: lig.mol2
Protein UniProt AC/ID: PUR3_ECOLI
Top (up to) 10 predicted binding modes using SHAFTS (template-based)
Click the "View" button on the right panel to display the corresponding binding mode.
Click "Model #" to download the corresponding PDB file.
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| Models | Active | View | PDB | SHAFTS | ITScore |
| Model 1 | 1c2tA | 1.3 | -31.7 | ||
| Model 2 | 1c3eA | 1.2 | -29.1 | ||
| Model 3 | 1cdeA | 1.2 | -24.7 | ||
| Model 4 | 1c2tA | 1.2 | -19.3 | ||
| Model 5 | 1cdeA | 1.2 | 6.5 | ||
| Model 6 | 1c3eA | 1.3 | 9.5 | ||
| Model 7 | 1cdeA | 1.2 | 12.2 | ||
| Model 8 | N/A | N/A | N/A | ||
| Model 9 | N/A | N/A | N/A | ||
| Model 10 | N/A | N/A | N/A |
Download
Click Here to download all the results.
Top 10 predicted binding modes (docking-based)
The PDB 1c3eA (SHAFTS score: 1.4) was selected for docking.
Click the "View" button on the right panel to display the corresponding binding mode.
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| Models | Active | View | ITScore | Download |
| Model 1 | -75.9 | Download | ||
| Model 2 | -73.4 | Download | ||
| Model 3 | -71.0 | Download | ||
| Model 4 | -70.1 | Download | ||
| Model 5 | -67.3 | Download | ||
| Model 6 | -66.5 | Download | ||
| Model 7 | -66.3 | Download | ||
| Model 8 | -65.5 | Download | ||
| Model 9 | -65.4 | Download | ||
| Model 10 | -64.9 | Download |
Download
Click Here to download all the results.