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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 | 0.76 | 3nkvA | 0.599 | 0.87 | 0.402 | 0.610 | 1.57 | GNP | complex1.pdb.gz | 23,24,25,26,27,28,29,39,40,41,42,43,45,46,72,126,127,129,130,156,157,158 |
| 2 | 0.33 | 1nvvR | 0.519 | 2.02 | 0.274 | 0.556 | 1.44 | PO4 | complex2.pdb.gz | 24,25,26,27,28,71 |
| 3 | 0.21 | 1xd2A | 0.578 | 0.97 | 0.280 | 0.592 | 1.42 | PO4 | complex3.pdb.gz | 23,27,44,46,47,71,72,73 |
| 4 | 0.18 | 1z0k0 | 0.590 | 1.09 | 0.345 | 0.607 | 1.40 | III | complex4.pdb.gz | 31,32,35,47,48,49,50,51,52,53,64,66,68,75,76,79,83 |
| 5 | 0.06 | 2heiB | 0.561 | 1.81 | 0.335 | 0.592 | 1.28 | D1D | complex5.pdb.gz | 20,70,77,79,80,83,108,111 |
| 6 | 0.06 | 2bcg1 | 0.606 | 1.78 | 0.330 | 0.639 | 1.12 | III | complex6.pdb.gz | 50,51,68,69,71,80,81,82,83,85,116,117 |
| 7 | 0.05 | 3rslA | 0.542 | 1.01 | 0.292 | 0.556 | 1.54 | RSF | complex7.pdb.gz | 22,23,98,100,101 |
| 8 | 0.05 | 2uzi1 | 0.575 | 1.09 | 0.280 | 0.592 | 1.22 | III | complex8.pdb.gz | 28,36,38,40,43,44,45,47,48,76 |
| 9 | 0.05 | 1gnqA | 0.572 | 1.22 | 0.280 | 0.592 | 1.21 | MG | complex9.pdb.gz | 28,47,69,70 |
| 10 | 0.05 | 5p210 | 0.575 | 1.11 | 0.280 | 0.592 | 1.11 | III | complex10.pdb.gz | 138,142,146,149,150,152,153,154,165,172 |
| 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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