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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 | 1bxrC | 0.370 | 4.96 | 0.022 | 0.732 | 0.10 | ANP | complex1.pdb.gz | 10,18,20,21,22,75,77 |
| 2 | 0.01 | 2jcvA | 0.481 | 4.49 | 0.038 | 0.852 | 0.14 | NDP | complex2.pdb.gz | 15,21,73,74,94,95 |
| 3 | 0.01 | 1ce8A | 0.375 | 4.55 | 0.011 | 0.639 | 0.23 | IMP | complex3.pdb.gz | 5,61,63,64 |
| 4 | 0.01 | 1ce8C | 0.385 | 4.83 | 0.033 | 0.713 | 0.21 | ADP | complex4.pdb.gz | 29,70,71,72,74 |
| 5 | 0.01 | 1jdbE | 0.371 | 5.08 | 0.022 | 0.741 | 0.27 | PO4 | complex5.pdb.gz | 1,11,13,14 |
| 6 | 0.01 | 2w3rF | 0.480 | 4.36 | 0.030 | 0.833 | 0.22 | UUU | complex6.pdb.gz | 2,10,12,13,29,30,99 |
| 7 | 0.01 | 2y1gA | 0.377 | 5.24 | 0.038 | 0.768 | 0.18 | FM5 | complex7.pdb.gz | 28,60,68 |
| 8 | 0.01 | 2jczB | 0.343 | 4.91 | 0.040 | 0.676 | 0.14 | NDP | complex8.pdb.gz | 33,34,35,36 |
| 9 | 0.01 | 2jcvA | 0.481 | 4.49 | 0.038 | 0.852 | 0.19 | FOM | complex9.pdb.gz | 20,28,29,32 |
| 10 | 0.01 | 2y1dA | 0.416 | 4.94 | 0.077 | 0.833 | 0.20 | 34F | complex10.pdb.gz | 10,11,50,63 |
| 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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