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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 | 3kedA | 0.377 | 6.10 | 0.029 | 0.514 | 0.32 | DAB | complex1.pdb.gz | 55,77,78,81 |
| 2 | 0.01 | 1o6pA | 0.350 | 5.19 | 0.037 | 0.442 | 0.34 | III | complex2.pdb.gz | 62,121,122 |
| 3 | 0.01 | 2zxgA | 0.393 | 6.13 | 0.025 | 0.534 | 0.16 | S23 | complex3.pdb.gz | 74,77,78 |
| 4 | 0.01 | 3b34A | 0.393 | 6.11 | 0.025 | 0.534 | 0.19 | PHE | complex4.pdb.gz | 134,136,140,141,175 |
| 5 | 0.01 | 2pdaA | 0.394 | 8.02 | 0.038 | 0.641 | 0.10 | TPP | complex5.pdb.gz | 57,58,71,75,76,77,78 |
| 6 | 0.01 | 1f59A | 0.347 | 5.30 | 0.032 | 0.442 | 0.26 | III | complex6.pdb.gz | 73,74,77,78 |
| 7 | 0.01 | 1f59B | 0.345 | 5.39 | 0.035 | 0.442 | 0.40 | III | complex7.pdb.gz | 72,76,79,80 |
| 8 | 0.01 | 1w9c0 | 0.274 | 4.65 | 0.053 | 0.337 | 0.30 | III | complex8.pdb.gz | 53,54,56,59,60,63,76,77,80 |
| 9 | 0.01 | 1b0pA | 0.394 | 8.08 | 0.044 | 0.646 | 0.39 | SF4 | complex9.pdb.gz | 114,123,138,139,140,142 |
| 10 | 0.01 | 3b2pA | 0.365 | 6.18 | 0.015 | 0.500 | 0.14 | ARG | complex10.pdb.gz | 137,138,141 |
| | 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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