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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 | 0.23 | 3l0eA | 0.501 | 1.54 | 0.289 | 0.518 | 0.17 | G58 | complex1.pdb.gz | 110,129,133,159 |
| 2 | 0.22 | 2aclB | 0.504 | 1.34 | 0.293 | 0.518 | 0.17 | L05 | complex2.pdb.gz | 110,132,134,173,174,179 |
| 3 | 0.22 | 3ipsA | 0.469 | 1.37 | 0.297 | 0.482 | 0.16 | O90 | complex3.pdb.gz | 110,127,130,131,134 |
| 4 | 0.20 | 3p8xA | 0.489 | 2.60 | 0.252 | 0.527 | 0.12 | ZYD | complex4.pdb.gz | 107,130,172 |
| 5 | 0.20 | 1pq9A | 0.486 | 1.47 | 0.294 | 0.501 | 0.31 | BNS | complex5.pdb.gz | 110,127,166 |
| 6 | 0.17 | 3a2iA | 0.489 | 2.39 | 0.250 | 0.523 | 0.15 | TEJ | complex6.pdb.gz | 111,123,130 |
| 7 | 0.17 | 3ipsB | 0.472 | 1.45 | 0.281 | 0.486 | 0.15 | O90 | complex7.pdb.gz | 107,155,174,180 |
| 8 | 0.17 | 2aclH | 0.503 | 1.42 | 0.297 | 0.518 | 0.18 | L05 | complex8.pdb.gz | 107,154,169,173,174 |
| 9 | 0.17 | 2zmiA | 0.485 | 2.05 | 0.242 | 0.512 | 0.13 | TT2 | complex9.pdb.gz | 111,169,172,174 |
| 10 | 0.16 | 2hb7A | 0.489 | 2.47 | 0.250 | 0.525 | 0.14 | O1C | complex10.pdb.gz | 126,165,169,170,175 |
| 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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