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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 | 0.49 | 1z8gA | 0.706 | 2.36 | 0.352 | 0.753 | 1.09 | III | complex1.pdb.gz | 258,383,399,400,401,402,403,405,424,425,426,427,428,429 |
| 2 | 0.42 | 1d4pB | 0.493 | 1.77 | 0.338 | 0.512 | 1.08 | BPP | complex2.pdb.gz | 304,305,399,400,423,425,426,428,429 |
| 3 | 0.26 | 1ucyN | 0.495 | 1.91 | 0.336 | 0.516 | 1.05 | III | complex3.pdb.gz | 241,242,258,302,303,304,305,399,400,402,403,404,405,424,425,426,427,428,436 |
| 4 | 0.25 | 3f68H | 0.491 | 1.75 | 0.335 | 0.510 | 0.98 | 91U | complex4.pdb.gz | 258,400,405,423,424,425,426,427,428,436,437 |
| 5 | 0.25 | 2cf9H | 0.493 | 1.78 | 0.338 | 0.512 | 0.90 | 348 | complex5.pdb.gz | 258,399,400,402,424,425,426,428 |
| 6 | 0.22 | 1hltH | 0.495 | 1.78 | 0.340 | 0.514 | 1.30 | III | complex6.pdb.gz | 225,227,228,230,231,322,325,326,328,340,341,343,363,365,411,415,416,417 |
| 7 | 0.17 | 3p70B | 0.497 | 1.82 | 0.331 | 0.516 | 1.63 | NA | complex7.pdb.gz | 245,246,254,255,406,407,408,419,422 |
| 8 | 0.16 | 1sb1H | 0.493 | 1.76 | 0.333 | 0.512 | 1.37 | NA | complex8.pdb.gz | 232,244,345,346,404,407 |
| 9 | 0.07 | 1ihsH | 0.499 | 1.76 | 0.338 | 0.519 | 1.09 | III | complex9.pdb.gz | 239,240,241,242,258,272,274,280,281,305,355,356,399,400,402,403,405,424,425,426,428 |
| 10 | 0.06 | 4htc0 | 0.494 | 1.99 | 0.335 | 0.516 | 1.11 | III | complex10.pdb.gz | 236,240,241,258,272,274,280,281,288,302,305,349,402,405,424,425,426,427,428,429,431,434 |
| 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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