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 |
|---|---|---|---|
| 3emz | HXH | Endo-1,4-beta-xylanase B | 3.2.1.8 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3emz | HXH | Endo-1,4-beta-xylanase B | 3.2.1.8 | 1.000 | |
| 3cui | X4S | Exoglucanase/xylanase | 3.2.1.91 | 0.620 | |
| 2p99 | YE6 | Methionine aminopeptidase | / | 0.469 | |
| 2xuh | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.465 | |
| 2gg8 | U15 | Methionine aminopeptidase | / | 0.464 | |
| 3g1r | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.463 | |
| 1efy | BZC | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.461 | |
| 3zj6 | VM2 | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.461 | |
| 1ex7 | 5GP | Guanylate kinase | 2.7.4.8 | 0.459 | |
| 2h7j | H7J | Cathepsin S | 3.4.22.27 | 0.458 | |
| 4s1i | PLP | Pyridoxal kinase, putative | / | 0.457 | |
| 1x2e | ATX | Proline iminopeptidase | 3.4.11.5 | 0.456 | |
| 2y1w | 849 | Histone-arginine methyltransferase CARM1 | / | 0.454 | |
| 2gg3 | U13 | Methionine aminopeptidase | / | 0.451 | |
| 2evc | FC3 | Methionine aminopeptidase | / | 0.450 | |
| 3wb5 | 0B4 | Beta-secretase 1 | 3.4.23.46 | 0.450 | |
| 4cg8 | G8S | Choline kinase alpha | 2.7.1.32 | 0.450 | |
| 1v08 | NTZ | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1, chloroplastic | 3.2.1.182 | 0.449 | |
| 2jf0 | HBP | Acetylcholinesterase | 3.1.1.7 | 0.449 | |
| 2j7c | IDE | Beta-glucosidase A | 3.2.1.21 | 0.448 | |
| 2q94 | A04 | Methionine aminopeptidase | / | 0.448 | |
| 3zj7 | C1K | Strictosidine-O-beta-D-glucosidase | 3.2.1.105 | 0.448 | |
| 3zwx | AV1 | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | 3.2.2.6 | 0.448 | |
| 2z7g | EH9 | Adenosine deaminase | 3.5.4.4 | 0.447 | |
| 4l6s | 1WQ | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.447 | |
| 3gn7 | 3GN | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.446 | |
| 1a26 | CNA | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.445 | |
| 4a7y | NHF | Aldos-2-ulose dehydratase | / | 0.445 | |
| 2xuq | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 1pr6 | XYA | Purine nucleoside phosphorylase DeoD-type | / | 0.443 | |
| 3dop | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.443 | |
| 4ey7 | E20 | Acetylcholinesterase | 3.1.1.7 | 0.443 | |
| 4nv1 | 4TG | Formyl transferase | / | 0.443 | |
| 3u57 | DH8 | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.442 | |
| 1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.441 | |
| 3pkd | Y10 | Methionine aminopeptidase 2 | / | 0.441 | |
| 4drj | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.441 | |
| 4drj | RAP | Peptidyl-prolyl cis-trans isomerase FKBP4 | 5.2.1.8 | 0.441 | |
| 5a4w | QCT | Glutathione S-transferase F2 | 2.5.1.18 | 0.441 | |
| 2f2h | XTG | Alpha-xylosidase | 3.2.1.177 | 0.440 | |
| 4b7z | Q4Q | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
| 4x9d | U5P | Uncharacterized protein MJ1435 | / | 0.440 |