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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 | 0.78 | 3kvwA | 0.732 | 1.40 | 0.540 | 0.752 | 1.60 | IRB | complex1.pdb.gz | 110,118,131,133,183,185,186,187,237,249,250 |
| 2 | 0.75 | 2wo6B | 0.591 | 1.50 | 0.459 | 0.608 | 1.62 | D15 | complex2.pdb.gz | 110,111,112,113,116,118,131,133,184,185,186,187,188,235,237,250 |
| 3 | 0.53 | 3anrA | 0.593 | 1.67 | 0.458 | 0.614 | 1.20 | HRM | complex3.pdb.gz | 110,131,133,183,184,186,250,251 |
| 4 | 0.38 | 1q99B | 0.571 | 2.63 | 0.283 | 0.617 | 1.38 | ANP | complex4.pdb.gz | 112,113,114,115,116,118,131,133,167,184,186,250,253 |
| 5 | 0.35 | 3f88A | 0.542 | 3.00 | 0.276 | 0.592 | 1.31 | 2HT | complex5.pdb.gz | 111,115,118,234,235,250 |
| 6 | 0.32 | 1q3wB | 0.538 | 3.06 | 0.279 | 0.589 | 0.99 | ATU | complex6.pdb.gz | 133,184,186,188,237,249,250 |
| 7 | 0.23 | 2wo6B | 0.591 | 1.50 | 0.459 | 0.608 | 1.44 | III | complex7.pdb.gz | 115,140,141,191,230,232,233,234,264,266,267,268,269,270,271,296 |
| 8 | 0.05 | 1q5k0 | 0.542 | 3.06 | 0.279 | 0.592 | 1.18 | III | complex8.pdb.gz | 114,115,147,262,264,265,266,267,268,276,277,307,308,309,310,311,313,314,338,343 |
| 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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