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 |
|---|---|---|---|
| 2a2d | ANP | N-acetylgalactosamine kinase | 2.7.1.157 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2a2d | ANP | N-acetylgalactosamine kinase | 2.7.1.157 | 1.000 | |
| 2a2c | ADP | N-acetylgalactosamine kinase | 2.7.1.157 | 0.574 | |
| 1icp | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.472 | |
| 2pzj | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.469 | |
| 2ejz | SAH | Diphthine synthase | / | 0.466 | |
| 4rh1 | 0TT | Spore photoproduct lyase | / | 0.465 | |
| 1fap | RAP | Peptidyl-prolyl cis-trans isomerase FKBP1A | 5.2.1.8 | 0.461 | |
| 1fap | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.461 | |
| 2gv8 | NDP | Thiol-specific monooxygenase | 1.14.13 | 0.460 | |
| 1x1a | SAM | C-20 methyltransferase | / | 0.457 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.457 | |
| 2a59 | LMZ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.456 | |
| 1f8f | NAD | Benzyl alcohol dehydrogenase | / | 0.454 | |
| 4fhd | 0TT | Spore photoproduct lyase | / | 0.454 | |
| 4q0k | GA3 | Phytohormone-binding protein | / | 0.454 | |
| 3nsh | 957 | Beta-secretase 1 | 3.4.23.46 | 0.453 | |
| 4i0i | 957 | Beta-secretase 1 | 3.4.23.46 | 0.453 | |
| 1xe6 | 5FP | Plasmepsin-2 | 3.4.23.39 | 0.451 | |
| 2xlr | FAD | Putative flavin-containing monooxygenase | / | 0.451 | |
| 3ehe | NAD | UDP-glucose 4-epimerase (GalE-1) | / | 0.451 | |
| 2g1n | 1IG | Renin | 3.4.23.15 | 0.450 | |
| 4cvm | ANP | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | / | 0.450 | |
| 4eyw | L0R | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.450 | |
| 1x1b | SAH | C-20 methyltransferase | / | 0.449 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.448 | |
| 3af1 | GDP | Pantothenate kinase | 2.7.1.33 | 0.448 | |
| 4f1l | 0RY | Poly [ADP-ribose] polymerase 14 | 2.4.2.30 | 0.448 | |
| 4b63 | NAP | L-ornithine N(5)-monooxygenase | / | 0.447 | |
| 2ivn | ANP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.446 | |
| 3mau | PLR | Putative sphingosine-1-phosphate lyase | / | 0.446 | |
| 1ay0 | TPP | Transketolase 1 | 2.2.1.1 | 0.445 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.445 | |
| 2il2 | LIX | Renin | 3.4.23.15 | 0.445 | |
| 3a0t | ADP | Sensor histidine kinase | / | 0.445 | |
| 4jnk | ZHK | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.445 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.444 | |
| 2pk3 | GDD | GDP-6-deoxy-D-mannose reductase | / | 0.444 | |
| 2e0n | SAH | Precorrin-2 C20-methyltransferase | / | 0.443 | |
| 2q1w | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.443 | |
| 3m2u | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.443 | |
| 4r81 | FMN | Predicted NADH dehydrogenase | / | 0.443 | |
| 1n2s | NAI | dTDP-4-dehydrorhamnose reductase | 1.1.1.133 | 0.442 | |
| 2a57 | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.442 | |
| 4ge9 | 0L0 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.442 | |
| 1vhz | APR | ADP compounds hydrolase NudE | 3.6.1 | 0.441 | |
| 3ig6 | 438 | Urokinase-type plasminogen activator | 3.4.21.73 | 0.441 | |
| 4b65 | FAD | L-ornithine N(5)-monooxygenase | / | 0.441 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.441 | |
| 1kyv | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.440 | |
| 2x7h | PFN | Prostaglandin reductase 3 | 1 | 0.440 |