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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 | 1m56A | 0.448 | 6.41 | 0.046 | 0.736 | 0.11 | HEA | complex1.pdb.gz | 26,45,48,64,68,71 |
| 2 | 0.01 | 3s8gA | 0.438 | 6.81 | 0.047 | 0.789 | 0.10 | UUU | complex2.pdb.gz | 39,46,47,50,68,72,75,78,79 |
| 3 | 0.01 | 3eh3A | 0.432 | 7.00 | 0.047 | 0.799 | 0.12 | HAS | complex3.pdb.gz | 244,247,248,250,254,264,271 |
| 4 | 0.01 | 3s8fA | 0.444 | 6.68 | 0.043 | 0.769 | 0.11 | UUU | complex4.pdb.gz | 125,175,182,183,186,189,252 |
| 5 | 0.01 | 2qpdA | 0.436 | 7.03 | 0.050 | 0.809 | 0.12 | HEM | complex5.pdb.gz | 4,68,74,75 |
| 6 | 0.01 | 3om3A | 0.426 | 6.69 | 0.031 | 0.752 | 0.14 | HEA | complex6.pdb.gz | 67,70,73,74,77,81,84 |
| 7 | 0.01 | 1ar1A | 0.436 | 6.72 | 0.035 | 0.759 | 0.28 | HEA | complex7.pdb.gz | 133,134,137,251,254,255,257,258,267,270,271,274,275 |
| 8 | 0.01 | 3eh5A | 0.441 | 6.88 | 0.044 | 0.799 | 0.13 | HEM | complex8.pdb.gz | 64,68,71,103 |
| 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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