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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 | 0.39 | 3n8xA | 0.595 | 0.89 | 0.923 | 0.634 | 0.11 | NIM | complex1.pdb.gz | 13,38,64,65 |
| 2 | 0.39 | 1pgfA | 0.578 | 0.95 | 0.922 | 0.622 | 0.13 | HEM | complex2.pdb.gz | 9,10,11,39,41,62,65 |
| 3 | 0.21 | 3kk6A | 0.592 | 0.92 | 0.923 | 0.634 | 0.11 | CEL | complex3.pdb.gz | 12,58,60,61,63 |
| 4 | 0.15 | 1cvuA | 0.594 | 0.74 | 0.510 | 0.622 | 0.13 | ACD | complex4.pdb.gz | 36,63,65 |
| 5 | 0.15 | 1u67A | 0.590 | 0.94 | 0.923 | 0.634 | 0.36 | UUU | complex5.pdb.gz | 43,58,65 |
| 6 | 0.15 | 1q4gA | 0.594 | 0.90 | 0.923 | 0.634 | 0.32 | UUU | complex6.pdb.gz | 43,45,65 |
| 7 | 0.14 | 1q4gA | 0.594 | 0.90 | 0.923 | 0.634 | 0.11 | UUU | complex7.pdb.gz | 37,38,39,40,65 |
| 8 | 0.12 | 1eqg0 | 0.580 | 0.95 | 0.922 | 0.622 | 0.18 | III | complex8.pdb.gz | 45,48,49,50,51,57,60 |
| 9 | 0.11 | 3pghA | 0.589 | 0.81 | 0.510 | 0.622 | 0.10 | FLP | complex9.pdb.gz | 57,60,63 |
| 10 | 0.08 | 1ddxA | 0.588 | 0.82 | 0.510 | 0.622 | 0.12 | PGX | complex10.pdb.gz | 62,63,64 |
| 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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