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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 | 0.41 | 1ee4A | 0.519 | 2.24 | 0.509 | 0.547 | 1.09 | III | complex1.pdb.gz | 109,110,147,151,153,154,155,160,186,189,193,196,197,232,236,239 |
| 2 | 0.23 | 1un0A | 0.533 | 2.83 | 0.494 | 0.575 | 1.31 | III | complex2.pdb.gz | 271,274,278,281,282,312,316,322,323,324,326,329,354,355,358,361,362,365,366,370,397,400 |
| 3 | 0.15 | 1ejlI | 0.511 | 3.50 | 0.183 | 0.577 | 1.38 | III | complex3.pdb.gz | 282,284,287,316,322,323,324,326,329,354,355,358,361,362,365,397,400,404,407,408 |
| 4 | 0.11 | 3q5uA | 0.509 | 3.49 | 0.219 | 0.575 | 0.87 | III | complex4.pdb.gz | 316,323,355,358,361,362,365,397,400,404,407 |
| 5 | 0.10 | 1ee5A | 0.517 | 2.36 | 0.507 | 0.548 | 0.91 | III | complex5.pdb.gz | 274,278,312,316,322,324,329,351,358,361,362,397,400,404 |
| 6 | 0.10 | 2c1m0 | 0.509 | 3.49 | 0.184 | 0.573 | 1.33 | III | complex6.pdb.gz | 274,278,308,309,312,316,322,323,324,329,349,351,358,361,362,365,392,393,397,400,404,428,429,431,432,433,438,471,476,477,480,483,484,485,486,491,495,499,501,502 |
| 7 | 0.08 | 1iq1C | 0.512 | 3.48 | 0.183 | 0.577 | 0.82 | III | complex7.pdb.gz | 102,106,108,109,112,116,144,147,151,154,155,186,189,193,196,229,232 |
| 8 | 0.07 | 1bk50 | 0.516 | 2.40 | 0.507 | 0.548 | 1.15 | III | complex8.pdb.gz | 274,316,391,392,393,396,431,432,483,484,485,495,499 |
| 9 | 0.07 | 2c1t0 | 0.516 | 2.40 | 0.507 | 0.548 | 1.03 | III | complex9.pdb.gz | 271,274,278,281,312,316,322,323,324,329,349,351,358,361,362,365,397,400,476,477,495,498,502 |
| 10 | 0.04 | 1q1sC | 0.512 | 3.42 | 0.173 | 0.577 | 0.86 | III | complex10.pdb.gz | 274,278,280,281,282,283,287,313,316,320,323,324,358,362,364,365,400,404,435,436 |
| | 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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