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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 | 1t36A | 0.371 | 7.09 | 0.012 | 0.628 | 0.20 | U | complex1.pdb.gz | 18,19,118 |
| 2 | 0.01 | 1ea0A | 0.387 | 6.93 | 0.029 | 0.643 | 0.11 | AKG | complex2.pdb.gz | 17,20,28 |
| 3 | 0.01 | 2vdcA | 0.386 | 6.72 | 0.041 | 0.625 | 0.11 | AKG | complex3.pdb.gz | 17,20,28 |
| 4 | 0.01 | 1ce8C | 0.368 | 6.94 | 0.044 | 0.607 | 0.14 | ADP | complex4.pdb.gz | 26,45,46,47,119 |
| 5 | 0.01 | 1m6vC | 0.373 | 6.85 | 0.039 | 0.612 | 0.11 | ADP | complex5.pdb.gz | 13,15,51,52 |
| 6 | 0.01 | 1ce8E | 0.346 | 7.46 | 0.041 | 0.620 | 0.22 | ADP | complex6.pdb.gz | 12,13,14,18,44 |
| 7 | 0.01 | 1ce8A | 0.371 | 6.69 | 0.042 | 0.600 | 0.19 | IMP | complex7.pdb.gz | 30,31,38,40,110,117,119 |
| 8 | 0.01 | 1jdbH | 0.370 | 7.09 | 0.012 | 0.625 | 0.35 | GLN | complex8.pdb.gz | 18,19,20,44,45 |
| 9 | 0.01 | 1bxrA | 0.373 | 7.46 | 0.053 | 0.658 | 0.13 | ANP | complex9.pdb.gz | 21,42,119 |
| 10 | 0.01 | 2vdcB | 0.388 | 6.65 | 0.042 | 0.630 | 0.12 | AKG | complex10.pdb.gz | 18,28,118 |
| 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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