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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 | 0.60 | 3gpjV | 0.756 | 1.30 | 0.575 | 0.780 | 1.46 | SY2 | complex1.pdb.gz | 44,63,64,65,76,88,89,90,91,92 |
| 2 | 0.57 | 1iruI | 0.759 | 1.20 | 0.977 | 0.780 | 1.69 | MG | complex2.pdb.gz | 206,207,209,210,212 |
| 3 | 0.26 | 1g65K | 0.680 | 1.58 | 0.247 | 0.715 | 1.40 | EPX | complex3.pdb.gz | 45,60,63,64,76,90,92,171,172,173 |
| 4 | 0.24 | 3shjK | 0.684 | 1.43 | 0.253 | 0.715 | 1.29 | H10 | complex4.pdb.gz | 44,62,63,64,70,71,74,76,88,90,92,96 |
| 5 | 0.05 | 3tddK | 0.683 | 1.45 | 0.253 | 0.715 | 1.39 | BFO | complex5.pdb.gz | 44,66,88,89,90,92,155,157,158,170,171,172,211 |
| 6 | 0.05 | 3mg8Z | 0.681 | 1.85 | 0.188 | 0.729 | 1.38 | L3T | complex6.pdb.gz | 155,157,161,162,168 |
| 7 | 0.05 | 3oeuL | 0.681 | 1.85 | 0.188 | 0.729 | 1.22 | OEU | complex7.pdb.gz | 135,157,158,159 |
| 8 | 0.05 | 3mg7L | 0.681 | 1.84 | 0.188 | 0.729 | 1.15 | L2T | complex8.pdb.gz | 136,138,157,158 |
| 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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