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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 | 0.07 | 2c3oA | 0.301 | 7.96 | 0.062 | 0.467 | 0.38 | SF4 | complex1.pdb.gz | 235,236,253,254,290,291 |
| 2 | 0.01 | 3hb9B | 0.290 | 8.53 | 0.034 | 0.476 | 0.15 | BTI | complex2.pdb.gz | 251,285,290,291 |
| 3 | 0.01 | 2c3oB | 0.301 | 7.92 | 0.063 | 0.465 | 0.29 | SF4 | complex3.pdb.gz | 253,285,286,287 |
| 4 | 0.01 | 3bg5C | 0.290 | 8.30 | 0.037 | 0.465 | 0.12 | ATP | complex4.pdb.gz | 252,256,288 |
| 5 | 0.01 | 2zw9B | 0.308 | 6.27 | 0.035 | 0.404 | 0.10 | SAM | complex5.pdb.gz | 251,252,288,310,311,312 |
| 6 | 0.01 | 2wbkB | 0.294 | 7.79 | 0.031 | 0.448 | 0.11 | M2F | complex6.pdb.gz | 227,252,291 |
| 7 | 0.01 | 2zwaB | 0.310 | 6.35 | 0.037 | 0.415 | 0.11 | SAH | complex7.pdb.gz | 251,252,289,290,314,315 |
| 8 | 0.01 | 3ho8B | 0.287 | 8.26 | 0.036 | 0.457 | 0.20 | COA | complex8.pdb.gz | 229,231,287,315,316 |
| 9 | 0.01 | 1n1hA | 0.301 | 8.20 | 0.044 | 0.479 | 0.13 | QNA | complex9.pdb.gz | 234,255,281,282 |
| 10 | 0.01 | 2zw9A | 0.310 | 6.24 | 0.043 | 0.406 | 0.12 | SAM | complex10.pdb.gz | 217,218,240,284,285,288 |
| | 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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