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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 | 0.01 | 3go1L | 0.280 | 5.57 | 0.070 | 0.443 | 0.21 | III | complex1.pdb.gz | 152,153,155 |
| 2 | 0.01 | 2h3n4 | 0.199 | 4.61 | 0.066 | 0.278 | 0.21 | III | complex2.pdb.gz | 67,68,69,72,73,74,75,76,77 |
| 3 | 0.01 | 2b1aL | 0.242 | 5.95 | 0.070 | 0.409 | 0.22 | III | complex3.pdb.gz | 116,117,148,155 |
| 4 | 0.01 | 3mlwL | 0.217 | 6.56 | 0.058 | 0.399 | 0.23 | III | complex4.pdb.gz | 116,117,118,153,154 |
| 5 | 0.01 | 3mlwM | 0.229 | 6.76 | 0.077 | 0.423 | 0.35 | III | complex5.pdb.gz | 24,25,65,68 |
| 6 | 0.01 | 3gbn1 | 0.178 | 3.80 | 0.008 | 0.227 | 0.17 | III | complex6.pdb.gz | 57,59,61,63,69,89,92,120,122,123 |
| 7 | 0.01 | 1pto7 | 0.149 | 4.64 | 0.021 | 0.203 | 0.12 | III | complex7.pdb.gz | 119,122,183,184,185,186 |
| 8 | 0.01 | 1mndA | 0.280 | 6.11 | 0.027 | 0.464 | 0.10 | UUU | complex8.pdb.gz | 115,151,152,153,167 |
| 9 | 0.01 | 2h3n0 | 0.199 | 4.61 | 0.066 | 0.278 | 0.14 | III | complex9.pdb.gz | 60,62,64,83,84,86,88 |
| 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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