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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 | 0.50 | 1nm1A | 0.938 | 1.49 | 0.333 | 0.980 | 1.10 | ATP | complex1.pdb.gz | 23,24,49,78,81,82,167,168,169,171,172,206 |
| 2 | 0.33 | 2yjfC | 0.932 | 1.56 | 0.329 | 0.980 | 0.93 | LAB | complex2.pdb.gz | 24,50,53,74,75,78 |
| 3 | 0.25 | 2vcpA | 0.933 | 1.50 | 0.325 | 0.980 | 0.98 | III | complex3.pdb.gz | 10,13,15,36,214,218,219,221,225 |
| 4 | 0.24 | 2q36A | 0.927 | 1.47 | 0.329 | 0.967 | 1.01 | KAB | complex4.pdb.gz | 10,11,12,13,14,35,36,204,214,215,216,218,219 |
| 5 | 0.15 | 3mn9A | 0.935 | 1.49 | 0.329 | 0.980 | 0.89 | III | complex5.pdb.gz | 13,219,221 |
| 6 | 0.15 | 3m1fA | 0.927 | 1.62 | 0.326 | 0.976 | 0.84 | III | complex6.pdb.gz | 10,13,15,34,35,36,215,219,220,221,224,225 |
| 7 | 0.07 | 2vypB | 0.927 | 1.58 | 0.332 | 0.971 | 1.20 | RH9 | complex7.pdb.gz | 10,11,12,13,14,15,35,36,215,216,219,221,222,225 |
| 8 | 0.07 | 1ma91 | 0.920 | 1.47 | 0.331 | 0.963 | 1.13 | III | complex8.pdb.gz | 10,11,12,13,14,15,33,34,36,38,40,145,146,149,150,152,153,154,156,157,161,198,215,221 |
| 9 | 0.07 | 2v51D | 0.924 | 1.47 | 0.331 | 0.963 | 1.05 | III | complex9.pdb.gz | 13,15,33,34,35,36,38,39,40,215,219,220,221 |
| 10 | 0.07 | 3ekuA | 0.942 | 1.41 | 0.329 | 0.980 | 0.99 | CY9 | complex10.pdb.gz | 2,3,6,10,35,36,37,216,225,245 |
| 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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