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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 | 0.68 | 1hkiA | 0.527 | 0.76 | 0.492 | 0.531 | 1.43 | UUU | complex1.pdb.gz | 27,31,35,99,100,101,139,141,184,211,213,214,263,293,296,353,355 |
| 2 | 0.57 | 2ybtA | 0.536 | 0.88 | 0.496 | 0.540 | 1.43 | DW0 | complex2.pdb.gz | 31,58,99,100,101,139,141,211,213,263,355 |
| 3 | 0.52 | 2olhA | 0.518 | 1.07 | 0.480 | 0.525 | 1.00 | CBI | complex3.pdb.gz | 31,100,101,213,263,265,355 |
| 4 | 0.50 | 1wb0A | 0.526 | 0.76 | 0.493 | 0.529 | 1.44 | UUU | complex4.pdb.gz | 27,100,101,139,141,142,211,213,214,219,265,355 |
| 5 | 0.46 | 3rm4A | 0.534 | 0.89 | 0.499 | 0.538 | 1.14 | 3RM | complex5.pdb.gz | 27,141,184,211,213,214,263,291,293,296,355,359 |
| 6 | 0.23 | 1zu8A | 0.518 | 1.11 | 0.478 | 0.525 | 1.39 | UUU | complex6.pdb.gz | 31,34,70,100,101,263,292,293,296,355,359 |
| 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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