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 |
|---|---|---|---|
| 4i4b | 1CV | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 1.1.1.88 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4i4b | 1CV | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 1.1.1.88 | 1.000 | |
| 1qax | HMG | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 1.1.1.88 | 0.566 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.466 | |
| 4i02 | CMP | cAMP-activated global transcriptional regulator CRP | / | 0.465 | |
| 2y0m | ACO | Histone acetyltransferase KAT8 | / | 0.464 | |
| 1ia1 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 3hbb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.458 | |
| 3t4e | NAD | Quinate/shikimate dehydrogenase | / | 0.457 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.456 | |
| 1qay | MEV | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 1.1.1.88 | 0.455 | |
| 4l4x | NDP | AmphI | / | 0.455 | |
| 2giv | ACO | Histone acetyltransferase KAT8 | / | 0.454 | |
| 2y05 | NAP | Prostaglandin reductase 1 | / | 0.454 | |
| 3nxx | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 1drh | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 4c77 | N01 | Phenylacetone monooxygenase | 1.14.13.92 | 0.452 | |
| 4q72 | FAD | Bifunctional protein PutA | / | 0.452 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.451 | |
| 2nnl | NAP | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.451 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.451 | |
| 5mdh | NAD | Malate dehydrogenase, cytoplasmic | 1.1.1.37 | 0.451 | |
| 1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 1f0x | FAD | D-lactate dehydrogenase | 1.1.1.28 | 0.449 | |
| 1qf5 | RPL | Adenylosuccinate synthetase | / | 0.449 | |
| 1qor | NDP | Quinone oxidoreductase 1 | / | 0.449 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.449 | |
| 4an4 | DUD | Putative glycosyl transferase | / | 0.449 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.449 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.448 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.447 | |
| 3q71 | AR6 | Poly [ADP-ribose] polymerase 14 | 2.4.2.30 | 0.447 | |
| 1ykf | NAP | NADP-dependent isopropanol dehydrogenase | 1.1.1.80 | 0.445 | |
| 4m9a | FDA | Acyl-CoA dehydrogenase | / | 0.445 | |
| 1rx8 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1z7y | AA5 | Cysteine synthase 1 | 2.5.1.47 | 0.444 | |
| 2ylz | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.444 | |
| 4du8 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.444 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.444 | |
| 3kyb | FAD | UDP-galactopyranose mutase | 5.4.99.9 | 0.443 | |
| 5a3b | APR | SIR2 family protein | / | 0.443 | |
| 2ym1 | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.442 | |
| 3b6z | CO7 | Enoyl reductase LovC | 1 | 0.442 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.442 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.442 | |
| 5jjs | SAH | Genome polyprotein | / | 0.441 | |
| 1hrv | SDZ | Genome polyprotein | / | 0.440 | |
| 1m78 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 1pq9 | 44B | Oxysterols receptor LXR-beta | / | 0.440 | |
| 2a0w | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.440 | |
| 3b70 | NAP | Enoyl reductase LovC | 1 | 0.440 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.440 | |
| 3k7m | FAD | 6-hydroxy-L-nicotine oxidase | / | 0.440 | |
| 4d03 | NAP | Phenylacetone monooxygenase | 1.14.13.92 | 0.440 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.440 |