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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 | 1un0B | 0.445 | 6.30 | 0.064 | 0.660 | 0.14 | III | complex1.pdb.gz | 129,132,133,136,137,140 |
| 2 | 0.01 | 2gl7D | 0.422 | 6.25 | 0.082 | 0.625 | 0.12 | III | complex2.pdb.gz | 105,109,110,159,164,251,275,278 |
| 3 | 0.01 | 1m1e0 | 0.436 | 6.49 | 0.073 | 0.650 | 0.11 | III | complex3.pdb.gz | 134,137,184 |
| 4 | 0.01 | 2c1m0 | 0.461 | 6.17 | 0.053 | 0.667 | 0.22 | III | complex4.pdb.gz | 144,158,185,186,188,189,190,241,242,277,281,283,284 |
| 5 | 0.01 | 1ee4A | 0.444 | 6.14 | 0.052 | 0.650 | 0.14 | III | complex5.pdb.gz | 140,144,187 |
| 6 | 0.01 | 1qgrA | 0.442 | 6.69 | 0.060 | 0.683 | 0.14 | III | complex6.pdb.gz | 129,130,133,136,140,175,179 |
| 7 | 0.01 | 1t08A | 0.438 | 6.55 | 0.073 | 0.658 | 0.17 | III | complex7.pdb.gz | 112,113,164,223,226,278 |
| 8 | 0.01 | 1jdh0 | 0.420 | 6.38 | 0.078 | 0.623 | 0.13 | III | complex8.pdb.gz | 156,222,226,251,278 |
| 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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