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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 | 0.76 | 3o0gB | 0.539 | 1.40 | 0.559 | 0.555 | 1.55 | 3O0 | complex1.pdb.gz | 150,158,171,173,203,220,221,222,223,224,228,272,283 |
| 2 | 0.69 | 1ungB | 0.547 | 1.38 | 0.566 | 0.563 | 0.91 | ALH | complex2.pdb.gz | 171,220,222,223,272,282 |
| 3 | 0.67 | 3miaA | 0.597 | 2.59 | 0.374 | 0.641 | 0.92 | ANP | complex3.pdb.gz | 171,173,219,220,222,269,270,272,283 |
| 4 | 0.63 | 1q3dB | 0.623 | 2.51 | 0.281 | 0.669 | 1.27 | STU | complex4.pdb.gz | 150,151,153,158,174,220,221,222,269,272,282,283 |
| 5 | 0.63 | 3f88B | 0.632 | 2.45 | 0.277 | 0.677 | 1.18 | 3HT | complex5.pdb.gz | 150,154,157,172,174,219,220,221,222,223,225,228,271,282,283 |
| 6 | 0.62 | 3i4bA | 0.636 | 2.62 | 0.271 | 0.686 | 1.35 | Z48 | complex6.pdb.gz | 152,153,154,156,158,171,173,219,220,222,223,228,270,272,282,283 |
| 7 | 0.60 | 3f88A | 0.632 | 2.46 | 0.277 | 0.677 | 1.20 | 2HT | complex7.pdb.gz | 151,158,269,270,283 |
| 8 | 0.59 | 3ngaA | 0.580 | 2.09 | 0.241 | 0.614 | 1.30 | 3NG | complex8.pdb.gz | 150,151,152,158,171,173,203,219,220,269,282,283 |
| 9 | 0.38 | 2ow3A | 0.630 | 2.82 | 0.277 | 0.686 | 1.27 | BIM | complex9.pdb.gz | 172,220,221,222,223,225,269,272,282,283 |
| 10 | 0.32 | 3mb6A | 0.578 | 1.91 | 0.251 | 0.608 | 1.17 | 01I | complex10.pdb.gz | 150,158,171,173,219,271,282,283 |
| 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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