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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 | 1q1sC | 0.314 | 5.85 | 0.070 | 0.408 | 0.38 | III | complex1.pdb.gz | 506,536,540,541,544,567,570,574 |
| 2 | 0.01 | 2ot8A | 0.305 | 7.05 | 0.047 | 0.428 | 0.32 | III | complex2.pdb.gz | 546,551,552,586 |
| 3 | 0.01 | 1vt4I | 0.335 | 8.72 | 0.029 | 0.537 | 0.13 | DTP | complex3.pdb.gz | 507,544,548 |
| 4 | 0.01 | 3kndA | 0.310 | 6.11 | 0.051 | 0.410 | 0.34 | III | complex4.pdb.gz | 505,508,537,543,544,546,551,567,570,573,574 |
| 5 | 0.01 | 1qgrA | 0.330 | 7.05 | 0.048 | 0.462 | 0.15 | III | complex5.pdb.gz | 504,507,536,543,574 |
| 6 | 0.01 | 1pjmB | 0.313 | 5.85 | 0.071 | 0.407 | 0.13 | III | complex6.pdb.gz | 340,341,373,408,544 |
| 7 | 0.01 | 3q5uA | 0.312 | 5.85 | 0.070 | 0.404 | 0.32 | III | complex7.pdb.gz | 465,467,505,533,536,540,541,544,574,578 |
| 8 | 0.01 | 3lwwC | 0.337 | 6.85 | 0.057 | 0.465 | 0.15 | III | complex8.pdb.gz | 508,580,584,619,622 |
| 9 | 0.01 | 3l3qA | 0.313 | 5.75 | 0.069 | 0.403 | 0.39 | III | complex9.pdb.gz | 542,545,551,573,574,607 |
| 10 | 0.01 | 1iq1C | 0.313 | 5.97 | 0.054 | 0.409 | 0.39 | III | complex10.pdb.gz | 544,545,546,551,576,577,580,609,616 |
| 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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