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Template proteins with similar binding site:
Click to view | Rank | CscoreLB | PDB Hit | TM-score | RMSDa | IDENa | Cov. | BS-score | Lig. Name | Download Complex | Predicted binding site residues |
| 1 | 0.85 | 3g15A | 0.754 | 1.48 | 0.994 | 0.775 | 1.59 | ADP | complex1.pdb.gz | 124,144,146,194,207,208,209,213,310,311,329,330,332 |
| 2 | 0.47 | 2cko0 | 0.734 | 1.32 | 0.997 | 0.753 | 1.78 | III | complex2.pdb.gz | 97,98,104,138,178,181,182,189,190,198,199,239,241,242,243,244,245,247 |
| 3 | 0.46 | 2ckqA | 0.722 | 1.75 | 0.986 | 0.757 | 1.53 | PC | complex3.pdb.gz | 119,306,308,311,349,354,420,423,440 |
| 4 | 0.10 | 3mesB | 0.659 | 2.30 | 0.322 | 0.707 | 1.24 | PT3 | complex4.pdb.gz | 120,306,308,310,330,354,423 |
| Click on the radio buttons to visualize predicted binding site and residues. |
(a) | CscoreLB is the confidence score of predicted binding site. CscoreLB values range in between [0-1]; where a higher score indicates a more reliable ligand-binding site prediction. |
(b) | BS-score is a measure of local similarity (sequence & structure) between template binding site and predicted binding site in the query structure. Based on large scale benchmarking analysis, we have observed that a BS-score >1 reflects a significant local match between the predicted and template binding site.
| (c) | TM-score is a measure of global structural similarity between query and template protein. |
(d) | RMSDa the RMSD between residues that are structurally aligned by TM-align. |
(e) | IDENa is the percentage sequence identity in the structurally aligned region. |
(f) | Cov. represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein. |
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