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 |
|---|---|---|---|
| 1u0w | STL | Chalcone synthase 2 | 2.3.1.74 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1u0w | STL | Chalcone synthase 2 | 2.3.1.74 | 1.000 | |
| 1z1f | STL | Resveratrol synthase | / | 0.536 | |
| 4jaq | COA | Alpha-pyrone synthesis polyketide synthase-like Pks11 | 2.3.1 | 0.489 | |
| 4jap | COA | Alpha-pyrone synthesis polyketide synthase-like Pks11 | 2.3.1 | 0.478 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.468 | |
| 2ivn | ANP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.468 | |
| 4jd3 | COA | Alpha-pyrone synthesis polyketide synthase-like Pks11 | 2.3.1 | 0.465 | |
| 2ivp | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.464 | |
| 2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.463 | |
| 3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.463 | |
| 1i7i | AZ2 | Peroxisome proliferator-activated receptor gamma | / | 0.460 | |
| 3wy0 | COA | Uncharacterized protein | / | 0.460 | |
| 1ppj | ANY | Cytochrome b | / | 0.459 | |
| 3hcr | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.459 | |
| 3b9o | FMN | Alkane monoxygenase | / | 0.457 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.457 | |
| 4b14 | 4XB | Glycylpeptide N-tetradecanoyltransferase | / | 0.455 | |
| 1e1n | FAD | NADPH:adrenodoxin oxidoreductase, mitochondrial | 1.18.1.6 | 0.454 | |
| 2vzm | NRB | Cytochrome P450 monooxygenase PikC | / | 0.454 | |
| 2y46 | MIV | Mycinamicin IV hydroxylase/epoxidase | / | 0.454 | |
| 2yvw | EPU | UDP-N-acetylglucosamine 1-carboxyvinyltransferase | / | 0.454 | |
| 4wdb | 2AM | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.454 | |
| 3o3n | IRC | (R)-2-hydroxyisocaproyl-CoA dehydratase alpha subunit | / | 0.453 | |
| 1e7q | NAP | GDP-L-fucose synthase | / | 0.452 | |
| 1r2j | FAD | FkbI | / | 0.452 | |
| 1xp6 | AIU | Estrogen receptor | / | 0.452 | |
| 2bxo | OPB | Serum albumin | / | 0.452 | |
| 2ph5 | NAD | Homospermidine synthase | / | 0.452 | |
| 4b13 | X25 | Glycylpeptide N-tetradecanoyltransferase | / | 0.452 | |
| 4bv9 | NDP | Ketimine reductase mu-crystallin | 1.5.1.25 | 0.452 | |
| 4jv8 | 1M1 | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.452 | |
| 1fm4 | DXC | Major pollen allergen Bet v 1-L | / | 0.451 | |
| 1nqw | 5YL | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.451 | |
| 3a1l | 2CC | Cytochrome P450 | / | 0.451 | |
| 4ubs | DIF | Pentalenic acid synthase | 1.14.15.11 | 0.451 | |
| 5bsf | NAD | Pyrroline-5-carboxylate reductase | / | 0.451 | |
| 2y98 | MIV | Mycinamicin IV hydroxylase/epoxidase | / | 0.450 | |
| 3aba | FLI | Cytochrome P450 | / | 0.450 | |
| 3ar6 | TG1 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 3.6.3.8 | 0.450 | |
| 2ejz | SAH | Diphthine synthase | / | 0.449 | |
| 3clb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.449 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.449 | |
| 1k7l | 544 | Peroxisome proliferator-activated receptor alpha | / | 0.448 | |
| 2c7g | FAD | NADPH-ferredoxin reductase FprA | 1.18.1.2 | 0.448 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.448 | |
| 2qo5 | CHD | Fatty acid-binding protein 10-A, liver basic | / | 0.448 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.448 | |
| 1olm | VTQ | SEC14-like protein 2 | / | 0.447 | |
| 1w06 | W05 | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 4bbh | YBN | Glycylpeptide N-tetradecanoyltransferase | / | 0.447 | |
| 1kkq | 471 | Peroxisome proliferator-activated receptor alpha | / | 0.446 | |
| 3w2s | W2R | Epidermal growth factor receptor | 2.7.10.1 | 0.446 | |
| 4mih | FAD | Pyranose 2-oxidase | 1.1.3.10 | 0.446 | |
| 4xiw | AZM | Carbonic anhydrase, alpha type | / | 0.446 | |
| 1yin | CM3 | Estrogen receptor | / | 0.445 | |
| 4gdy | 0X1 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.445 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.444 | |
| 2e9d | B76 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.444 | |
| 2nxe | SAM | Ribosomal protein L11 methyltransferase | 2.1.1 | 0.444 | |
| 3uzw | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.444 | |
| 4e0u | 0MV | Cyclic dipeptide N-prenyltransferase | / | 0.444 | |
| 4y8w | STR | Steroid 21-hydroxylase | / | 0.444 | |
| 2c7x | NRB | Cytochrome P450 monooxygenase PikC | / | 0.443 | |
| 2q8s | L92 | Peroxisome proliferator-activated receptor gamma | / | 0.443 | |
| 2x7h | PFN | Prostaglandin reductase 3 | 1 | 0.443 | |
| 1e6e | FAD | NADPH:adrenodoxin oxidoreductase, mitochondrial | 1.18.1.6 | 0.442 | |
| 3h0a | D30 | Peroxisome proliferator-activated receptor gamma | / | 0.442 | |
| 3qpp | PFW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
| 1rek | B8L | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.441 | |
| 4b12 | C23 | Glycylpeptide N-tetradecanoyltransferase | / | 0.441 | |
| 4em3 | FAD | Coenzyme A disulfide reductase | / | 0.441 | |
| 4r21 | STR | Cytochrome P450 family 17 polypeptide 2 | / | 0.441 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.440 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.440 | |
| 2nnl | NAP | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.440 | |
| 2uxo | TAC | HTH-type transcriptional regulator TtgR | / | 0.440 | |
| 2w2l | NAD | D-mandelate dehydrogenase | / | 0.440 | |
| 3p4t | FAO | Putative acyl-CoA dehydrogenase | / | 0.440 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.440 | |
| 4bge | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.440 | |
| 4phl | PIL | Phosphodiesterase | / | 0.440 |