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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 | 1qguD | 0.258 | 6.32 | 0.041 | 0.420 | 0.26 | CLF | complex1.pdb.gz | 211,280,281,283 |
| 2 | 0.01 | 1mmnA | 0.241 | 6.55 | 0.030 | 0.389 | 0.17 | ANP | complex2.pdb.gz | 221,232,233,237,255,256,257,258,259 |
| 3 | 0.01 | 1ffuB | 0.257 | 6.55 | 0.060 | 0.417 | 0.12 | CDP | complex3.pdb.gz | 280,282,284 |
| 4 | 0.01 | 1d0xA | 0.242 | 6.66 | 0.042 | 0.392 | 0.29 | MNQ | complex4.pdb.gz | 226,227,228,232,255,257,258,259 |
| 5 | 0.01 | 1mioB | 0.256 | 6.22 | 0.032 | 0.408 | 0.23 | CLP | complex5.pdb.gz | 212,214,271,272 |
| 6 | 0.01 | 1w1i1 | 0.190 | 6.81 | 0.043 | 0.327 | 0.14 | III | complex6.pdb.gz | 214,215,284,287,288 |
| 7 | 0.01 | 1fmwA | 0.175 | 6.91 | 0.015 | 0.304 | 0.11 | ATP | complex7.pdb.gz | 279,280,283 |
| 8 | 0.01 | 2jhrA | 0.205 | 7.04 | 0.023 | 0.361 | 0.11 | AD9 | complex8.pdb.gz | 214,272,273,278 |
| 9 | 0.01 | 2y8iX | 0.205 | 6.55 | 0.026 | 0.330 | 0.11 | ADP | complex9.pdb.gz | 271,273,274,275 |
| 10 | 0.01 | 1w9jA | 0.201 | 6.77 | 0.015 | 0.330 | 0.11 | UUU | complex10.pdb.gz | 224,228,229,256 |
| 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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