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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 | 0.02 | 2vraA | 0.461 | 4.11 | 0.127 | 0.611 | 0.75 | UUU | complex1.pdb.gz | 29,91,94,95 |
| 2 | 0.02 | 3pp4H | 0.434 | 4.44 | 0.124 | 0.604 | 0.67 | III | complex2.pdb.gz | 48,61,63,69,105,107,112 |
| 3 | 0.01 | 3gbn0 | 0.378 | 3.17 | 0.144 | 0.442 | 0.52 | III | complex3.pdb.gz | 53,59,74 |
| 4 | 0.01 | 1c5cH | 0.436 | 4.26 | 0.068 | 0.597 | 0.89 | TK4 | complex4.pdb.gz | 45,106,108,111,113 |
| 5 | 0.01 | 2vdqA | 0.246 | 6.90 | 0.068 | 0.449 | 0.52 | III | complex5.pdb.gz | 93,97,98 |
| 6 | 0.01 | 1imhD | 0.438 | 5.28 | 0.071 | 0.667 | 0.58 | QNA | complex6.pdb.gz | 27,30,32 |
| 7 | 0.01 | 1um4H | 0.364 | 4.82 | 0.052 | 0.530 | 0.52 | SH4 | complex7.pdb.gz | 48,102,104,105,106,116 |
| 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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