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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 | 2azdB | 0.296 | 7.40 | 0.050 | 0.474 | 0.16 | PLP | complex1.pdb.gz | 114,115,159,160 |
| 2 | 0.01 | 2zutB | 0.286 | 7.92 | 0.051 | 0.487 | 0.12 | A2G | complex2.pdb.gz | 114,154,160 |
| 3 | 0.01 | 2ecpB | 0.296 | 7.49 | 0.047 | 0.477 | 0.19 | ACR | complex3.pdb.gz | 135,138,145 |
| 4 | 0.01 | 2nm1A | 0.204 | 7.34 | 0.049 | 0.326 | 0.25 | III | complex4.pdb.gz | 105,116,119 |
| 5 | 0.01 | 1kv9A | 0.291 | 6.55 | 0.047 | 0.436 | 0.22 | HEM | complex5.pdb.gz | 119,120,146,149,151,152,154 |
| 6 | 0.01 | 2vz9B | 0.279 | 7.57 | 0.040 | 0.462 | 0.11 | NAP | complex6.pdb.gz | 96,97,98,133,134,142 |
| 7 | 0.01 | 2w74B | 0.297 | 7.19 | 0.022 | 0.466 | 0.12 | ATP | complex7.pdb.gz | 138,139,140 |
| 8 | 0.01 | 1g9aA | 0.249 | 7.59 | 0.028 | 0.402 | 0.14 | BAB | complex8.pdb.gz | 152,153,154,156,162,166 |
| 9 | 0.01 | 2y3tA | 0.296 | 7.43 | 0.039 | 0.475 | 0.11 | ATP | complex9.pdb.gz | 137,138,139 |
| 10 | 0.01 | 2c4mA | 0.293 | 7.39 | 0.041 | 0.472 | 0.19 | UUU | complex10.pdb.gz | 94,103,151,152 |
| 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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