|
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 | 0.80 | 1w7xH | 0.510 | 1.93 | 0.992 | 0.536 | 1.58 | 413 | complex1.pdb.gz | 256,299,398,399,401,404,422,423,424,425,426,427,428,435 |
| 2 | 0.74 | 2flrH | 0.515 | 2.08 | 1.000 | 0.545 | 1.24 | 7NH | complex2.pdb.gz | 237,238,400,401,404,422,423,424 |
| 3 | 0.48 | 2zc9H | 0.478 | 2.18 | 0.363 | 0.509 | 1.14 | 22U | complex3.pdb.gz | 298,381,399,400,404,422,423,424,425,427,435,436 |
| 4 | 0.48 | 1a3bH | 0.477 | 2.22 | 0.367 | 0.509 | 0.89 | T29 | complex4.pdb.gz | 398,399,402,404,423,424,425,427,435 |
| 5 | 0.46 | 1dvaH | 0.509 | 2.19 | 0.984 | 0.541 | 1.40 | III | complex5.pdb.gz | 231,235,236,265,267,270,273,274,276,280,282,355 |
| 6 | 0.29 | 2c8yB | 0.476 | 2.30 | 0.363 | 0.509 | 1.03 | C3M | complex6.pdb.gz | 298,299,404,424,425 |
| 7 | 0.28 | 5gdsH | 0.479 | 2.22 | 0.360 | 0.511 | 0.96 | III | complex7.pdb.gz | 400,401,404,423,424,425,426,427,428 |
| 8 | 0.28 | 1a4wH | 0.473 | 2.15 | 0.368 | 0.502 | 0.88 | QWE | complex8.pdb.gz | 299,398,399,400,424,425,427,428 |
| 9 | 0.27 | 1umaH | 0.479 | 2.20 | 0.360 | 0.511 | 0.86 | IN2 | complex9.pdb.gz | 398,399,400,401,404,427 |
| 10 | 0.18 | 1sb1H | 0.476 | 2.17 | 0.364 | 0.506 | 1.50 | NA | complex10.pdb.gz | 227,239,342,343,403,406 |
| 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. |
|