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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 | 2vdoA | 0.447 | 5.24 | 0.050 | 0.879 | 0.34 | III | complex1.pdb.gz | 70,76,77,86 |
| 2 | 0.01 | 1yiqA | 0.459 | 5.00 | 0.034 | 0.841 | 0.12 | HEM | complex2.pdb.gz | 6,16,71,72,73 |
| 3 | 0.01 | 2w68A | 0.288 | 5.22 | 0.044 | 0.515 | 0.12 | UUU | complex3.pdb.gz | 126,127,128 |
| 4 | 0.01 | 3ntgC | 0.332 | 5.39 | 0.017 | 0.667 | 0.10 | HEM | complex4.pdb.gz | 6,104,126 |
| 5 | 0.01 | 3qmoA | 0.330 | 5.53 | 0.026 | 0.667 | 0.11 | NS4 | complex5.pdb.gz | 19,20,36,88,89 |
| 6 | 0.01 | 3ntbB | 0.329 | 5.27 | 0.017 | 0.651 | 0.11 | HEM | complex6.pdb.gz | 22,23,25,26,30 |
| 7 | 0.01 | 1w0pA | 0.441 | 5.03 | 0.031 | 0.849 | 0.16 | SIA | complex7.pdb.gz | 43,73,75 |
| 8 | 0.01 | 3mdlA | 0.345 | 5.47 | 0.040 | 0.697 | 0.32 | GOL | complex8.pdb.gz | 74,75,76 |
| 9 | 0.01 | 1pxxC | 0.327 | 5.24 | 0.033 | 0.644 | 0.10 | HEM | complex9.pdb.gz | 5,6,72,73,74,75,76 |
| 10 | 0.01 | 2ah2A | 0.324 | 4.98 | 0.047 | 0.621 | 0.11 | FSI | complex10.pdb.gz | 43,74,131 |
| 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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