|
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 | 0.16 | 3bz3A | 0.159 | 2.52 | 0.335 | 0.166 | 1.17 | YAM | complex1.pdb.gz | 429,431,439,441,455,502,503,504,554,556,566,567 |
| 2 | 0.12 | 2jkmA | 0.163 | 2.43 | 0.329 | 0.170 | 0.78 | BII | complex2.pdb.gz | 431,441,455,457,502,503,504,505,556 |
| 3 | 0.09 | 2jkoA | 0.158 | 2.35 | 0.319 | 0.165 | 1.06 | BIJ | complex3.pdb.gz | 455,502,503,505,506,508,509,554,556,566,567 |
| 4 | 0.08 | 2ijmA | 0.162 | 2.43 | 0.313 | 0.169 | 0.91 | ATP | complex4.pdb.gz | 432,433,434,435,439,455,457,502,503,504,505,567,568,570 |
| 5 | 0.01 | 1lm1A | 0.262 | 9.03 | 0.047 | 0.411 | 0.61 | F3S | complex5.pdb.gz | 430,431,432,433,434,437,1008 |
| 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. |
|