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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 | 1n621 | 0.189 | 5.08 | 0.035 | 0.276 | 0.15 | III | complex1.pdb.gz | 238,244,246,247,248,296,297,298 |
| 2 | 0.01 | 3naeA | 0.319 | 6.07 | 0.052 | 0.500 | 0.11 | DTP | complex2.pdb.gz | 156,157,158,159,206 |
| 3 | 0.01 | 1clqA | 0.267 | 6.52 | 0.040 | 0.455 | 0.13 | QNA | complex3.pdb.gz | 192,216,217,220 |
| 4 | 0.01 | 1fzfB | 0.213 | 6.70 | 0.019 | 0.372 | 0.21 | III | complex4.pdb.gz | 183,186,238,239 |
| 5 | 0.01 | 3cfpA | 0.317 | 5.99 | 0.056 | 0.500 | 0.11 | UUU | complex5.pdb.gz | 158,160,163,186 |
| 6 | 0.01 | 2oyqB | 0.239 | 7.02 | 0.032 | 0.436 | 0.17 | QNA | complex6.pdb.gz | 187,247,248 |
| 7 | 0.01 | 2dy4D | 0.275 | 6.55 | 0.048 | 0.474 | 0.18 | QNA | complex7.pdb.gz | 209,247,249 |
| 8 | 0.01 | 1ig9A | 0.318 | 6.11 | 0.052 | 0.506 | 0.13 | TTP | complex8.pdb.gz | 183,184,185 |
| 9 | 0.01 | 3lziA | 0.319 | 6.00 | 0.056 | 0.503 | 0.16 | DTP | complex9.pdb.gz | 161,162,163 |
| 10 | 0.01 | 1wafB | 0.240 | 7.09 | 0.038 | 0.442 | 0.16 | GMP | complex10.pdb.gz | 157,160,162 |
| 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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