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 |
|---|---|---|---|
| 1m9h | NAD | 2,5-diketo-D-gluconic acid reductase A | 1.1.1.346 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1m9h | NAD | 2,5-diketo-D-gluconic acid reductase A | 1.1.1.346 | 1.000 | |
| 1a80 | NDP | 2,5-diketo-D-gluconic acid reductase A | 1.1.1.346 | 0.577 | |
| 1az2 | NAP | Aldose reductase | 1.1.1.21 | 0.503 | |
| 3h7r | NAP | Aldo-keto reductase family 4 member C8 | / | 0.491 | |
| 4xo7 | NAP | Aldo-keto reductase family 1 member C2 | / | 0.479 | |
| 2pf8 | NDP | Aldose reductase | 1.1.1.21 | 0.474 | |
| 1vp5 | NAP | Oxidoreductase, aldo/keto reductase family | / | 0.469 | |
| 1q5m | NDP | Prostaglandin-E(2) 9-reductase | 1.1.1.189 | 0.468 | |
| 3uzw | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.468 | |
| 2pfh | NDP | Aldose reductase | 1.1.1.21 | 0.467 | |
| 3buv | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.465 | |
| 4jtq | NAP | Aldo-keto reductase family 1 member C2 | / | 0.464 | |
| 2j8t | NAP | Aldose reductase | 1.1.1.21 | 0.459 | |
| 2iq0 | NAP | Aldose reductase | 1.1.1.21 | 0.457 | |
| 3bv7 | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.457 | |
| 2hdj | NDP | Aldo-keto reductase family 1 member C2 | / | 0.455 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.454 | |
| 1sdw | IYT | Peptidyl-glycine alpha-amidating monooxygenase | 1.14.17.3 | 0.453 | |
| 1ye4 | NAD | NAD(P)H-dependent D-xylose reductase | 1.1.1.307 | 0.453 | |
| 1ads | NAP | Aldose reductase | 1.1.1.21 | 0.451 | |
| 4rxr | DCP | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 3.1.5 | 0.451 | |
| 1ye6 | NAD | NAD(P)H-dependent D-xylose reductase | 1.1.1.307 | 0.449 | |
| 3dop | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.448 | |
| 3gx9 | TXD | Morphinone reductase | / | 0.447 | |
| 1hqt | NAP | Alcohol dehydrogenase [NADP(+)] | 1.1.1.2 | 0.446 | |
| 4g5d | NDP | Prostaglandin F synthase | 1.1.1.188 | 0.446 | |
| 3skg | PB8 | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
| 3wyc | NAP | Meso-diaminopimelate D-dehydrogenase | 1.4.1.16 | 0.445 | |
| 1fds | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.444 | |
| 1kyx | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.444 | |
| 2fw3 | BUI | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.444 | |
| 4l1x | NAP | Aldo-keto reductase family 1 member C2 | / | 0.444 | |
| 1ah4 | NAP | Aldose reductase | 1.1.1.21 | 0.443 | |
| 2y1w | 849 | Histone-arginine methyltransferase CARM1 | / | 0.443 | |
| 2gby | BRN | HTH-type transcriptional regulator QacR | / | 0.442 | |
| 3i0p | NAD | Malate dehydrogenase, putative | / | 0.442 | |
| 3u5y | SCG | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.442 | |
| 3dyl | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.441 | |
| 3v0p | 4GW | Histo-blood group ABO system transferase | / | 0.441 | |
| 4tnz | TTP | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 3.1.5 | 0.441 | |
| 3dyl | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.440 |