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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 | 2zxeA | 0.267 | 8.78 | 0.034 | 0.406 | 0.18 | MF4 | complex1.pdb.gz | 138,139,140,199,200 |
| 2 | 0.01 | 3qs4A | 0.352 | 5.27 | 0.098 | 0.420 | 0.22 | TRP | complex2.pdb.gz | 139,202,206,362 |
| 3 | 0.01 | 1mo8A | 0.111 | 6.03 | 0.053 | 0.140 | 0.23 | ATP | complex3.pdb.gz | 139,201,202 |
| 4 | 0.01 | 2a65A | 0.354 | 5.05 | 0.100 | 0.418 | 0.24 | LEU | complex4.pdb.gz | 138,140,141,191 |
| 5 | 0.01 | 2q6hA | 0.357 | 5.18 | 0.097 | 0.423 | 0.14 | CXX | complex5.pdb.gz | 139,141,190 |
| 6 | 0.01 | 2jloA | 0.321 | 5.27 | 0.065 | 0.384 | 0.23 | 5FH | complex6.pdb.gz | 138,140,209,210 |
| 7 | 0.01 | 3gwvA | 0.350 | 5.09 | 0.101 | 0.413 | 0.16 | RFX | complex7.pdb.gz | 138,202,205 |
| 8 | 0.01 | 3l1l0 | 0.362 | 3.34 | 0.130 | 0.394 | 0.34 | III | complex8.pdb.gz | 208,209,210,211,214,215 |
| 9 | 0.01 | 3f4jA | 0.354 | 5.12 | 0.097 | 0.419 | 0.18 | GLY | complex9.pdb.gz | 138,140,141,201 |
| 10 | 0.01 | 3ob6A | 0.362 | 3.80 | 0.116 | 0.402 | 0.22 | ARG | complex10.pdb.gz | 205,209,886 |
| 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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