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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 | 0.18 | 1cvjF | 0.806 | 0.85 | 0.382 | 0.854 | 0.87 | QNA | complex1.pdb.gz | 15,43,44,46,47,48,50,53,55,57,59,85,87,88,89 |
| 2 | 0.08 | 2xb2D | 0.808 | 1.53 | 0.213 | 0.899 | 0.90 | III | complex2.pdb.gz | 16,45,47,53,55,56 |
| 3 | 0.08 | 2kg0A | 0.733 | 1.79 | 0.159 | 0.876 | 1.15 | RQA | complex3.pdb.gz | 17,18,19,21,51,52,74,75,82,83,84,85,87 |
| 4 | 0.07 | 2adcA | 0.712 | 2.34 | 0.175 | 0.865 | 0.92 | RQA | complex4.pdb.gz | 15,17,43,45,46,53,55,57,85,89 |
| 5 | 0.06 | 3nnhC | 0.794 | 1.39 | 0.241 | 0.888 | 1.25 | QNA | complex5.pdb.gz | 13,15,17,18,45,53,55,57,85,87,89 |
| 6 | 0.05 | 1h2v1 | 0.822 | 1.35 | 0.195 | 0.899 | 1.34 | III | complex6.pdb.gz | 22,25,26,27,29,30,31,34,61,71,72,74,76,78,80,81 |
| 7 | 0.05 | 2j0s2 | 0.809 | 1.42 | 0.210 | 0.899 | 1.19 | III | complex7.pdb.gz | 9,13,15,17,40,41,43,45,48,53,55,57,87,88,89 |
| 8 | 0.05 | 1u1pA | 0.793 | 1.38 | 0.237 | 0.876 | 0.95 | UUU | complex8.pdb.gz | 13,15,17,18,41,43,45,53,55,57,85,87,88,89 |
| 9 | 0.05 | 2lebA | 0.717 | 1.99 | 0.264 | 0.899 | 0.95 | QNA | complex9.pdb.gz | 15,18,41,42,43,45,54,55,57,59,88,89 |
| 10 | 0.05 | 2g4bA | 0.779 | 1.93 | 0.241 | 0.910 | 0.90 | RQA | complex10.pdb.gz | 13,15,53,54,57,84,86,87,88 |
| 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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