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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 | 2h4mA | 0.421 | 6.34 | 0.049 | 0.634 | 0.11 | III | complex1.pdb.gz | 253,256,292 |
| 2 | 0.01 | 2c1t0 | 0.422 | 5.85 | 0.040 | 0.609 | 0.19 | III | complex2.pdb.gz | 139,256,257 |
| 3 | 0.01 | 1jppB | 0.422 | 6.25 | 0.072 | 0.631 | 0.18 | III | complex3.pdb.gz | 216,220,223 |
| 4 | 0.01 | 1ee4A | 0.418 | 5.58 | 0.045 | 0.591 | 0.13 | III | complex4.pdb.gz | 137,141,143,219 |
| 5 | 0.01 | 2ot8B | 0.419 | 6.43 | 0.047 | 0.629 | 0.15 | III | complex5.pdb.gz | 74,209,213 |
| 6 | 0.01 | 1pjnB | 0.416 | 5.88 | 0.041 | 0.605 | 0.18 | III | complex6.pdb.gz | 212,216,220,229,252,255,256,293 |
| 7 | 0.01 | 2c1m0 | 0.422 | 5.94 | 0.074 | 0.618 | 0.24 | III | complex7.pdb.gz | 208,212,216,229,255,258,259,262,290,293 |
| 8 | 0.01 | 1jdh0 | 0.427 | 6.05 | 0.056 | 0.631 | 0.12 | III | complex8.pdb.gz | 174,177,212,216,220,223,224,252,342 |
| 9 | 0.01 | 1m1e0 | 0.429 | 6.25 | 0.072 | 0.645 | 0.11 | III | complex9.pdb.gz | 140,185,220,223 |
| 10 | 0.01 | 1q1tC | 0.428 | 5.97 | 0.051 | 0.625 | 0.23 | III | complex10.pdb.gz | 133,137,139,140,144,170,171,174,218 |
| 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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