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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 | 0.50 | 3ckxA | 0.587 | 1.48 | 0.338 | 0.607 | 1.40 | STU | complex1.pdb.gz | 172,173,174,180,193,241,242,243,244,247,248,287,288,290,301 |
| 2 | 0.45 | 3a7hB | 0.594 | 2.26 | 0.326 | 0.636 | 1.05 | ATP | complex2.pdb.gz | 172,175,180,193,195,242,303 |
| 3 | 0.38 | 2xikA | 0.599 | 2.15 | 0.324 | 0.632 | 1.09 | J60 | complex3.pdb.gz | 171,172,193,241,242,243,244,245,247,290 |
| 4 | 0.36 | 3ndmB | 0.584 | 3.59 | 0.202 | 0.658 | 1.28 | 3ND | complex4.pdb.gz | 174,175,178,179,180,193,195,225,241,244,287,290,300,301 |
| 5 | 0.35 | 2v55A | 0.580 | 3.44 | 0.204 | 0.652 | 1.20 | ANP | complex5.pdb.gz | 172,176,195,225,241,242,243,244,248,285,287,301 |
| 6 | 0.34 | 2uw8A | 0.588 | 2.96 | 0.202 | 0.641 | 1.16 | GVQ | complex6.pdb.gz | 172,173,174,178,179,180,193,248,287,288,300 |
| 7 | 0.34 | 3nx8A | 0.587 | 2.96 | 0.203 | 0.641 | 1.06 | IPH | complex7.pdb.gz | 173,180,247,287,288,300 |
| 8 | 0.33 | 3dndA | 0.588 | 2.97 | 0.203 | 0.641 | 1.05 | LL2 | complex8.pdb.gz | 172,180,193,242,248,287,290,300 |
| 9 | 0.33 | 1svgA | 0.589 | 2.72 | 0.199 | 0.636 | 1.09 | I04 | complex9.pdb.gz | 173,174,175,176,177,179,180,193,195,197,205,212,242,244,248,287,288,290,300,301,303,304 |
| 10 | 0.22 | 2gnhA | 0.588 | 2.75 | 0.203 | 0.636 | 1.24 | III | complex10.pdb.gz | 176,177,248,250,285,286,287,304,316,318,319,320,321,348,353,354,357,366,368,371 |
| 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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