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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 | 0.04 | 2xa7M | 0.590 | 3.03 | 0.153 | 0.691 | 0.39 | III | complex1.pdb.gz | 115,123,162,163,166 |
| 2 | 0.03 | 2jktI | 0.616 | 1.52 | 0.201 | 0.662 | 0.39 | III | complex2.pdb.gz | 109,155,159,164 |
| 3 | 0.01 | 3cmvD | 0.439 | 5.40 | 0.092 | 0.705 | 0.15 | ANP | complex3.pdb.gz | 57,58,59 |
| 4 | 0.01 | 1do8A | 0.474 | 4.67 | 0.065 | 0.719 | 0.18 | NAD | complex4.pdb.gz | 57,108,128,131,154,158 |
| 5 | 0.01 | 1gz3C | 0.475 | 5.12 | 0.070 | 0.762 | 0.20 | ATP | complex5.pdb.gz | 41,113,114,115,116,118,119,165 |
| 6 | 0.01 | 1bw8A | 0.252 | 6.42 | 0.051 | 0.481 | 0.30 | III | complex6.pdb.gz | 64,112,115,165 |
| 7 | 0.01 | 1do8B | 0.451 | 5.09 | 0.048 | 0.724 | 0.13 | NAD | complex7.pdb.gz | 114,115,116,165,167 |
| 8 | 0.01 | 3cmvB | 0.423 | 5.59 | 0.090 | 0.714 | 0.31 | ANP | complex8.pdb.gz | 76,78,79,80,81 |
| 9 | 0.01 | 1gz4B | 0.452 | 5.08 | 0.048 | 0.719 | 0.21 | ATP | complex9.pdb.gz | 114,115,125 |
| 10 | 0.01 | 3cmvG | 0.436 | 5.32 | 0.098 | 0.700 | 0.13 | ANP | complex10.pdb.gz | 55,56,57,58,59 |
| 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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