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 |
|---|---|---|---|
| 4ju8 | TZD | Benzoylformate decarboxylase | 4.1.1.7 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4ju8 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 1.000 | |
| 5dgt | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.729 | |
| 4ju9 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.689 | |
| 2fwn | TDP | Benzoylformate decarboxylase | 4.1.1.7 | 0.680 | |
| 4mq5 | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.659 | |
| 1bfd | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.619 | |
| 4mpp | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.618 | |
| 4qel | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.604 | |
| 4mzx | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.587 | |
| 3fzn | D7K | Benzoylformate decarboxylase | 4.1.1.7 | 0.583 | |
| 4k9o | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.576 | |
| 4jd5 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.565 | |
| 4gm0 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.553 | |
| 4jub | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.541 | |
| 4k9p | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.539 | |
| 4gm1 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.527 | |
| 1mcz | TDP | Benzoylformate decarboxylase | 4.1.1.7 | 0.490 | |
| 3ieu | GDP | GTPase Era | / | 0.474 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.473 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.471 | |
| 3tvq | DQH | Multifunctional cyclase-dehydratase-3-O-methyl transferase TcmN | 2.1.1 | 0.465 | |
| 2giv | ACO | Histone acetyltransferase KAT8 | / | 0.464 | |
| 3cin | NAD | Myo-inositol-1-phosphate synthase-related protein | / | 0.462 | |
| 1mcz | RMN | Benzoylformate decarboxylase | 4.1.1.7 | 0.461 | |
| 1ma0 | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.459 | |
| 1hdc | CBO | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.458 | |
| 2i4q | UA4 | Renin | 3.4.23.15 | 0.457 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.456 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.456 | |
| 2g76 | NAD | D-3-phosphoglycerate dehydrogenase | 1.1.1.95 | 0.455 | |
| 2wb2 | FAD | RE11660p | / | 0.454 | |
| 3l9h | EMQ | Kinesin-like protein KIF11 | / | 0.453 | |
| 2uzu | L20 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.452 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.450 | |
| 2il2 | LIX | Renin | 3.4.23.15 | 0.449 | |
| 2y0m | ACO | Histone acetyltransferase KAT8 | / | 0.449 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.449 | |
| 3to6 | LYS_CMC | Histone acetyltransferase ESA1 | / | 0.448 | |
| 1kkq | 471 | Peroxisome proliferator-activated receptor alpha | / | 0.446 | |
| 1lf2 | R37 | Plasmepsin-2 | 3.4.23.39 | 0.446 | |
| 2v13 | C40 | Renin | 3.4.23.15 | 0.446 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.446 | |
| 4tvb | NAD | Homospermidine synthase | 2.5.1.44 | 0.446 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.446 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.445 | |
| 1lbc | CYZ | Glutamate receptor 2 | / | 0.444 | |
| 3te5 | NAI | 5'-AMP-activated protein kinase subunit gamma | / | 0.444 | |
| 3vsw | R31 | Renin | 3.4.23.15 | 0.444 | |
| 5dbf | NDP | Iridoid synthase | 1.3.1.99 | 0.444 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.443 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.443 | |
| 3vsx | R32 | Renin | 3.4.23.15 | 0.443 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.443 | |
| 8dfr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 1mj9 | COA | Histone acetyltransferase ESA1 | / | 0.442 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.441 | |
| 4bf2 | STU | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.441 | |
| 5cdt | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.441 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.440 | |
| 2hiz | LIJ | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 2ign | FAD | Pyranose 2-oxidase | / | 0.440 | |
| 4cr8 | NAD | N-acylmannosamine 1-dehydrogenase | 1.1.1.233 | 0.440 | |
| 4m10 | ICD | Prostaglandin G/H synthase 2 | 1.14.99.1 | 0.440 |