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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 | 3e3jB | 0.312 | 7.02 | 0.045 | 0.543 | 0.21 | QNA | complex1.pdb.gz | 61,62,63,66,67 |
| 2 | 0.01 | 2y0pB | 0.332 | 7.28 | 0.033 | 0.604 | 0.13 | ACO | complex2.pdb.gz | 57,65,67,128,129,130,131,132,133 |
| 3 | 0.01 | 1s0vC | 0.336 | 6.70 | 0.046 | 0.565 | 0.28 | APC | complex3.pdb.gz | 63,67,118 |
| 4 | 0.01 | 2cg9B | 0.385 | 6.88 | 0.079 | 0.665 | 0.14 | ATP | complex4.pdb.gz | 20,64,65,66,67,68 |
| 5 | 0.01 | 1h38D | 0.330 | 6.88 | 0.036 | 0.571 | 0.16 | QNA | complex5.pdb.gz | 75,78,112 |
| 6 | 0.01 | 1s76D | 0.339 | 6.88 | 0.043 | 0.582 | 0.11 | APC | complex6.pdb.gz | 25,26,66 |
| 7 | 0.01 | 3e3jB | 0.312 | 7.02 | 0.045 | 0.543 | 0.12 | QNA | complex7.pdb.gz | 112,113,114,115 |
| 8 | 0.01 | 2y0pA | 0.328 | 7.44 | 0.037 | 0.612 | 0.24 | TD7 | complex8.pdb.gz | 24,65,67 |
| 9 | 0.01 | 1g9aA | 0.352 | 7.47 | 0.036 | 0.654 | 0.19 | BAB | complex9.pdb.gz | 98,99,101,102 |
| 10 | 0.01 | 1s77D | 0.309 | 6.94 | 0.037 | 0.529 | 0.14 | POP | complex10.pdb.gz | 66,67,68,114 |
| 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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