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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 | 0.03 | 2z4wB | 0.434 | 5.21 | 0.056 | 0.810 | 0.17 | 749 | complex1.pdb.gz | 8,10,11,15,106,109,112 |
| 2 | 0.03 | 2e8vB | 0.455 | 4.65 | 0.060 | 0.781 | 0.19 | GRG | complex2.pdb.gz | 10,21,22,108,115 |
| 3 | 0.01 | 2z52B | 0.433 | 5.18 | 0.048 | 0.803 | 0.14 | H23 | complex3.pdb.gz | 5,9,13,53,55,56,61 |
| 4 | 0.01 | 2qis0 | 0.456 | 5.51 | 0.033 | 0.861 | 0.11 | III | complex4.pdb.gz | 22,33,49,105,106,109,113,116,117,119,120,121,123 |
| 5 | 0.01 | 1yq7A | 0.449 | 5.11 | 0.056 | 0.810 | 0.18 | RIS | complex5.pdb.gz | 8,11,15,109,113 |
| 6 | 0.01 | 2e8uB | 0.455 | 4.67 | 0.069 | 0.781 | 0.20 | IPE | complex6.pdb.gz | 3,4,7,37,97 |
| 7 | 0.01 | 2zevA | 0.378 | 4.93 | 0.052 | 0.686 | 0.14 | B71 | complex7.pdb.gz | 9,21,31 |
| 8 | 0.01 | 2e8wA | 0.451 | 5.13 | 0.032 | 0.803 | 0.17 | IPE | complex8.pdb.gz | 3,7,11 |
| 9 | 0.01 | 3pboA | 0.467 | 4.53 | 0.071 | 0.774 | 0.16 | CAZ | complex9.pdb.gz | 21,53,55 |
| 10 | 0.01 | 2f89F | 0.457 | 5.35 | 0.034 | 0.847 | 0.13 | 210 | complex10.pdb.gz | 101,104,114 |
| 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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