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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 | 0.82 | 1he8B | 0.679 | 1.01 | 0.497 | 0.700 | 1.76 | GNP | complex1.pdb.gz | 49,50,51,52,53,54,55,56,66,67,68,70,72,73,98,151,152,154,155,181,182 |
| 2 | 0.57 | 1nvvR | 0.608 | 2.04 | 0.460 | 0.657 | 1.71 | PO4 | complex2.pdb.gz | 51,52,53,54,55,97 |
| 3 | 0.45 | 1xd2A | 0.683 | 0.90 | 0.497 | 0.700 | 1.77 | PO4 | complex3.pdb.gz | 50,54,70,72,73,97,98,99 |
| 4 | 0.32 | 1agpA | 0.679 | 1.03 | 0.497 | 0.700 | 0.83 | MG | complex4.pdb.gz | 55,73,95,96 |
| 5 | 0.27 | 2uzi1 | 0.679 | 1.02 | 0.497 | 0.700 | 1.64 | III | complex5.pdb.gz | 55,63,65,67,70,71,72,74,75,76,77,78,102 |
| 6 | 0.08 | 3rslA | 0.639 | 0.98 | 0.503 | 0.657 | 1.58 | RSF | complex6.pdb.gz | 49,50,124,126,127 |
| 7 | 0.08 | 5p210 | 0.678 | 1.07 | 0.497 | 0.700 | 1.41 | III | complex7.pdb.gz | 85,86,164,168,171,174,175,177,178,179,190,197 |
| 8 | 0.08 | 2ce2X | 0.660 | 1.44 | 0.488 | 0.695 | 1.20 | XY2 | complex8.pdb.gz | 59,70,71,74 |
| 9 | 0.05 | 1z0j0 | 0.688 | 1.24 | 0.265 | 0.712 | 1.14 | III | complex9.pdb.gz | 79,90,92,94,101,104,108,109 |
| 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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