sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Cavities are compared using Shaper.
For more information, please see the following publication:
Desaphy J. et al. Comparison and Druggability Prediction of protein-Ligand Binding sites from pharmacophore-annotated cavity shapes J. Chem. Inf. Model., 2012, 52(8), pp2287-2299
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 1t9d | 1MM | Acetolactate synthase catalytic subunit, mitochondrial | 2.2.1.6 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1t9d | 1MM | Acetolactate synthase catalytic subunit, mitochondrial | 2.2.1.6 | 1.000 | |
| 1t9c | 1SM | Acetolactate synthase catalytic subunit, mitochondrial | 2.2.1.6 | 0.613 | |
| 1t9b | 1CS | Acetolactate synthase catalytic subunit, mitochondrial | 2.2.1.6 | 0.577 | |
| 1t9a | 1TB | Acetolactate synthase catalytic subunit, mitochondrial | 2.2.1.6 | 0.566 | |
| 1n0h | CIE | Acetolactate synthase catalytic subunit, mitochondrial | 2.2.1.6 | 0.548 | |
| 1t9a | YF4 | Acetolactate synthase catalytic subunit, mitochondrial | 2.2.1.6 | 0.528 | |
| 5ahk | TPP | Acetolactate synthase II, large subunit | / | 0.488 | |
| 3t7v | SAM | 3-methylornithine synthase | / | 0.477 | |
| 1mc5 | AHE | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.468 | |
| 1odn | APV | Isopenicillin N synthase | 1.21.3.1 | 0.465 | |
| 1oc1 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.464 | |
| 2bjs | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.464 | |
| 4y6n | UPG | Glucosyl-3-phosphoglycerate synthase | 2.4.1.266 | 0.464 | |
| 4y6u | UPG | Glucosyl-3-phosphoglycerate synthase | 2.4.1.266 | 0.464 | |
| 2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.460 | |
| 5ahk | FAD | Acetolactate synthase II, large subunit | / | 0.459 | |
| 2imk | GTX | AGAP009194-PA | / | 0.458 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.457 | |
| 1qjf | ACS | Isopenicillin N synthase | 1.21.3.1 | 0.457 | |
| 1u1d | 181 | Uridine phosphorylase | 2.4.2.3 | 0.453 | |
| 1pkf | EPD | Epothilone C/D epoxidase | 1.14 | 0.451 | |
| 1o5i | NAD | 3-oxoacyl-(Acyl carrier protein) reductase | / | 0.447 | |
| 2yvw | EPU | UDP-N-acetylglucosamine 1-carboxyvinyltransferase | / | 0.447 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 3zo7 | K6H | Muconolactone Delta-isomerase | / | 0.446 | |
| 1rdw | LAR | Actin, alpha skeletal muscle | / | 0.445 | |
| 2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.445 | |
| 3cuk | FAD | D-amino-acid oxidase | 1.4.3.3 | 0.445 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.445 | |
| 4h6r | FDA | Proline dehydrogenase | / | 0.445 | |
| 2zu9 | GDP | Mannosyl-3-phosphoglycerate synthase | 2.4.1.217 | 0.444 | |
| 7cat | NDP | Catalase | 1.11.1.6 | 0.443 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.442 | |
| 4zgs | NAD | Putative D-lactate dehydrogenase | / | 0.442 | |
| 1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 1w0k | ADP | ATP synthase subunit alpha, mitochondrial | / | 0.440 | |
| 1w0k | ADP | ATP synthase subunit beta, mitochondrial | 3.6.3.14 | 0.440 | |
| 4xbj | IN5 | Alanine racemase, biosynthetic | / | 0.440 |