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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 | 0.92 | 2xikA | 0.643 | 1.52 | 0.969 | 0.664 | 1.89 | J60 | complex1.pdb.gz | 25,26,47,95,96,97,98,99,101,105,108,147,287 |
| 2 | 0.91 | 3ckxA | 0.635 | 1.20 | 0.863 | 0.650 | 1.85 | STU | complex2.pdb.gz | 26,27,28,34,47,95,96,97,98,101,102,144,145,147,158 |
| 3 | 0.89 | 3a7hA | 0.649 | 1.65 | 0.851 | 0.676 | 1.62 | ATP | complex3.pdb.gz | 29,34,47,49,96,98,147,158 |
| 4 | 0.40 | 2owbA | 0.628 | 2.07 | 0.278 | 0.664 | 1.40 | 626 | complex4.pdb.gz | 24,25,26,28,29,32,33,34,47,49,96,98,99,101,147 |
| 5 | 0.36 | 3db6A | 0.615 | 2.04 | 0.270 | 0.650 | 1.23 | FRS | complex5.pdb.gz | 26,27,34,47,49,63,66,67,70,79,81,93,95,96,98,147,157,158 |
| 6 | 0.31 | 2etrA | 0.618 | 3.07 | 0.227 | 0.685 | 1.09 | Y27 | complex6.pdb.gz | 27,34,47,95,96,97,98,146,157,158 |
| 7 | 0.30 | 3soaA | 0.620 | 3.68 | 0.204 | 0.707 | 1.20 | DB8 | complex7.pdb.gz | 26,34,49,95,98,159 |
| 8 | 0.18 | 2q0nA | 0.624 | 1.97 | 0.334 | 0.660 | 1.32 | III | complex8.pdb.gz | 29,30,104,140,142,143,144,161,174,175,176,177,178,180,181,182,207,212,216,218,219,220,224 |
| 9 | 0.16 | 2ou7A | 0.624 | 2.07 | 0.269 | 0.660 | 0.83 | MG | complex9.pdb.gz | 49,66,158,160 |
| 10 | 0.07 | 3fc2A | 0.624 | 2.14 | 0.265 | 0.662 | 1.41 | IBI | complex10.pdb.gz | 24,25,26,34,36,79,95,96,98,99,101,147 |
| 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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