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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 | 2nw8A | 0.442 | 4.06 | 0.050 | 0.558 | 0.17 | HEM | complex1.pdb.gz | 153,156,160 |
| 2 | 0.01 | 3e08H | 0.445 | 3.94 | 0.048 | 0.558 | 0.15 | HEM | complex2.pdb.gz | 63,66,254,260 |
| 3 | 0.01 | 3bk9E | 0.445 | 3.94 | 0.051 | 0.558 | 0.21 | HEM | complex3.pdb.gz | 84,248,252,256 |
| 4 | 0.01 | 3g60A | 0.424 | 6.06 | 0.050 | 0.675 | 0.14 | 0JZ | complex4.pdb.gz | 217,250,251,254,257 |
| 5 | 0.01 | 3nz4A | 0.387 | 5.88 | 0.069 | 0.594 | 0.12 | TCA | complex5.pdb.gz | 297,303,304 |
| 6 | 0.01 | 3bk9C | 0.444 | 3.95 | 0.048 | 0.558 | 0.18 | HEM | complex6.pdb.gz | 70,94,97,147,271 |
| 7 | 0.01 | 3e08G | 0.444 | 4.03 | 0.047 | 0.561 | 0.15 | HEM | complex7.pdb.gz | 93,253,258 |
| 8 | 0.01 | 2nwbA | 0.403 | 4.78 | 0.037 | 0.537 | 0.19 | HEM | complex8.pdb.gz | 63,67,70,148,149 |
| 9 | 0.01 | 3g61B | 0.424 | 6.08 | 0.050 | 0.678 | 0.17 | 0JZ | complex9.pdb.gz | 254,258,261,262,265 |
| 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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