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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 | 2fhfA | 0.478 | 4.72 | 0.113 | 0.842 | 0.34 | GLC | complex1.pdb.gz | 5,10,32 |
| 2 | 0.01 | 3rodB | 0.477 | 3.99 | 0.066 | 0.737 | 0.16 | NCA | complex2.pdb.gz | 12,33,46 |
| 3 | 0.01 | 3kpuB | 0.465 | 4.05 | 0.019 | 0.729 | 0.18 | ES1 | complex3.pdb.gz | 4,5,7,36 |
| 4 | 0.01 | 2an4B | 0.475 | 4.08 | 0.047 | 0.737 | 0.15 | OTR | complex4.pdb.gz | 13,31,128 |
| 5 | 0.01 | 3rodC | 0.473 | 3.94 | 0.075 | 0.729 | 0.21 | NCA | complex5.pdb.gz | 12,33,46 |
| 6 | 0.01 | 2g70A | 0.469 | 4.05 | 0.038 | 0.729 | 0.17 | HNT | complex6.pdb.gz | 8,9,132 |
| 7 | 0.01 | 3kqyA | 0.476 | 4.09 | 0.038 | 0.737 | 0.15 | ES0 | complex7.pdb.gz | 4,5,9,31,128 |
| 8 | 0.01 | 2g71B | 0.465 | 4.05 | 0.019 | 0.729 | 0.11 | FTS | complex8.pdb.gz | 26,35,92 |
| 9 | 0.01 | 2i62A | 0.480 | 4.05 | 0.048 | 0.729 | 0.19 | SAH | complex9.pdb.gz | 4,9,43,71 |
| 10 | 0.01 | 2g71A | 0.464 | 4.20 | 0.038 | 0.729 | 0.14 | FTS | complex10.pdb.gz | 14,31,32,91 |
| 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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