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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 | 1a9xA | 0.310 | 7.42 | 0.029 | 0.510 | 0.15 | ADP | complex1.pdb.gz | 48,81,82,131,132 |
| 2 | 0.01 | 1bxrA | 0.312 | 7.44 | 0.028 | 0.506 | 0.11 | ANP | complex2.pdb.gz | 41,65,80,81,82,83 |
| 3 | 0.01 | 1ce8E | 0.314 | 7.54 | 0.036 | 0.522 | 0.14 | ADP | complex3.pdb.gz | 82,131,132 |
| 4 | 0.01 | 2c3oA | 0.366 | 7.40 | 0.039 | 0.593 | 0.21 | SF4 | complex4.pdb.gz | 83,153,154 |
| 5 | 0.01 | 1siwA | 0.343 | 7.52 | 0.041 | 0.565 | 0.29 | SF4 | complex5.pdb.gz | 46,81,83 |
| 6 | 0.01 | 2vz9A | 0.292 | 8.00 | 0.033 | 0.506 | 0.11 | NAP | complex6.pdb.gz | 66,67,83,130,160 |
| 7 | 0.01 | 1b0pA | 0.356 | 7.51 | 0.035 | 0.583 | 0.25 | SF4 | complex7.pdb.gz | 84,130,131,137 |
| 8 | 0.01 | 3mdjA | 0.290 | 7.81 | 0.028 | 0.500 | 0.11 | BES | complex8.pdb.gz | 49,81,82,130 |
| 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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