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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 | 2o8bB | 0.390 | 5.90 | 0.049 | 0.586 | 0.10 | QNA | complex1.pdb.gz | 261,263,269,270 |
| 2 | 0.01 | 2y4sA | 0.367 | 6.90 | 0.060 | 0.616 | 0.14 | BCD | complex2.pdb.gz | 241,263,266,272 |
| 3 | 0.01 | 2vu9A | 0.218 | 7.15 | 0.024 | 0.373 | 0.28 | UUU | complex3.pdb.gz | 77,78,155,156,166,168,169,232 |
| 4 | 0.01 | 2dr6A | 0.329 | 5.95 | 0.051 | 0.504 | 0.22 | DM2 | complex4.pdb.gz | 244,261,262,263,264 |
| 5 | 0.01 | 3kdpC | 0.380 | 6.85 | 0.031 | 0.643 | 0.13 | III | complex5.pdb.gz | 229,230,233,273 |
| 6 | 0.01 | 3aobC | 0.303 | 6.71 | 0.020 | 0.493 | 0.10 | RFP | complex6.pdb.gz | 267,269,271 |
| 7 | 0.01 | 1t9wA | 0.331 | 5.90 | 0.059 | 0.499 | 0.29 | NFN | complex7.pdb.gz | 153,170,265 |
| 8 | 0.01 | 1mo8A | 0.199 | 6.05 | 0.020 | 0.311 | 0.38 | ATP | complex8.pdb.gz | 172,271,272,281,285 |
| 9 | 0.01 | 2y5eA | 0.366 | 6.98 | 0.039 | 0.627 | 0.23 | ACX | complex9.pdb.gz | 264,273,276 |
| 10 | 0.01 | 3aodC | 0.301 | 6.64 | 0.027 | 0.488 | 0.12 | RFP | complex10.pdb.gz | 166,169,273 |
| 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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