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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 | 1w6s0 | 0.277 | 4.70 | 0.065 | 0.317 | 0.18 | III | complex1.pdb.gz | 28,510,550,552,565,568,569 |
| 2 | 0.01 | 1h4j0 | 0.278 | 4.65 | 0.062 | 0.317 | 0.30 | III | complex2.pdb.gz | 29,30,35,37,78,491,550,552,564,568,569,570,602 |
| 3 | 0.01 | 3i7pA | 0.297 | 6.39 | 0.050 | 0.368 | 0.11 | III | complex3.pdb.gz | 56,542,544,548 |
| 4 | 0.01 | 3i89A | 0.297 | 6.35 | 0.050 | 0.367 | 0.10 | III | complex4.pdb.gz | 542,546,548 |
| 5 | 0.01 | 3i8eB | 0.297 | 6.38 | 0.051 | 0.368 | 0.10 | III | complex5.pdb.gz | 526,542,543,544,546,549,551 |
| 6 | 0.01 | 2d0vD | 0.279 | 4.80 | 0.062 | 0.320 | 0.20 | PQQ | complex6.pdb.gz | 47,61,62,95,97,114 |
| 7 | 0.01 | 3i7oA | 0.298 | 6.42 | 0.055 | 0.370 | 0.11 | III | complex7.pdb.gz | 542,543,544,545,546 |
| 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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