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 |
|---|---|---|---|
| 1e6v | COM | Methyl-coenzyme M reductase I subunit alpha |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1e6v | COM | Methyl-coenzyme M reductase I subunit alpha | / | 1.000 | |
| 1e6v | COM | Methyl coenzyme M reductase, beta subunit | / | 1.000 | |
| 1uma | IN2 | Prothrombin | 3.4.21.5 | 0.472 | |
| 2a59 | LMZ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.465 | |
| 3i0a | DBH | Neutrophil gelatinase-associated lipocalin | / | 0.463 | |
| 3jyp | NAD | Quinate/shikimate dehydrogenase (NAD(+)) | / | 0.460 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.458 | |
| 3p0f | BAU | Uridine phosphorylase 2 | 2.4.2.3 | 0.457 | |
| 4df2 | FMN | NADPH dehydrogenase | / | 0.456 | |
| 2e0n | SAH | Precorrin-2 C20-methyltransferase | / | 0.455 | |
| 2zsa | ADP | Pantothenate kinase | 2.7.1.33 | 0.455 | |
| 3p74 | FMN | Pentaerythritol tetranitrate reductase | / | 0.455 | |
| 1k4m | NAD | Nicotinate-nucleotide adenylyltransferase | 2.7.7.18 | 0.454 | |
| 2xup | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.454 | |
| 2hs8 | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.453 | |
| 1q45 | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.452 | |
| 2xuf | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.452 | |
| 4c49 | HCY | Corticosteroid-binding globulin | / | 0.451 | |
| 2wns | OMP | Uridine 5'-monophosphate synthase | 2.4.2.10 | 0.450 | |
| 4iae | 1DX | Alr2278 protein | / | 0.450 | |
| 2vpr | TDC | Tetracycline repressor protein class H | / | 0.449 | |
| 1dxy | NAD | D-2-hydroxyisocaproate dehydrogenase | 1.1.1 | 0.448 | |
| 3qpg | 3QP | Aspartate aminotransferase | 2.6.1.1 | 0.448 | |
| 4fm8 | 0UQ | Beta-secretase 1 | 3.4.23.46 | 0.447 | |
| 1h36 | R88 | Squalene--hopene cyclase | 4.2.1.129 | 0.446 | |
| 1ttm | 667 | Carbonic anhydrase 2 | 4.2.1.1 | 0.446 | |
| 3juo | AJD | Phenazine biosynthesis protein A/B | / | 0.446 | |
| 2fxu | BID | Actin, alpha skeletal muscle | / | 0.444 | |
| 3m30 | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.444 | |
| 3m30 | COM | Methyl-coenzyme M reductase I subunit beta | 2.8.4.1 | 0.444 | |
| 4boe | CLR | Japanin | / | 0.444 | |
| 4j0v | 1H7 | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 4j7h | TRH | PCZA361.3 | / | 0.444 | |
| 4nv1 | 0FX | Formyl transferase | / | 0.444 | |
| 4p9d | TMP | Deoxycytidylate deaminase | / | 0.444 | |
| 1iay | AVG | 1-aminocyclopropane-1-carboxylate synthase 2 | 4.4.1.14 | 0.443 | |
| 2xuk | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.443 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.443 | |
| 4kp6 | 1S1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.443 | |
| 1mu6 | CDA | Prothrombin | 3.4.21.5 | 0.442 | |
| 1q84 | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
| 1qrs | ATP | Glutamine--tRNA ligase | 6.1.1.18 | 0.442 | |
| 2xuq | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
| 3af4 | GCP | Pantothenate kinase | 2.7.1.33 | 0.442 | |
| 4eag | ATP | 5'-AMP-activated protein kinase subunit gamma-1 | / | 0.442 | |
| 4hmz | 18T | dTDP-4-dehydro-6-deoxyglucose 3-epimerase | 5.1.3.27 | 0.442 | |
| 5b1y | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.442 | |
| 1o2g | 696 | Prothrombin | 3.4.21.5 | 0.441 | |
| 1rzu | ADP | Glycogen synthase 1 | 2.4.1.21 | 0.441 | |
| 2d3a | ADP | Glutamine synthetase root isozyme 3 | 6.3.1.2 | 0.441 | |
| 2xui | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
| 4nv1 | 4TG | Formyl transferase | / | 0.441 | |
| 2c9z | QUE | Anthocyanidin 3-O-glucosyltransferase 2 | 2.4.1.115 | 0.440 | |
| 2ges | COK | Pantothenate kinase | 2.7.1.33 | 0.440 | |
| 3elb | C5P | Ethanolamine-phosphate cytidylyltransferase | 2.7.7.14 | 0.440 | |
| 3u8l | 09Q | Acetylcholine-binding protein | / | 0.440 | |
| 4b68 | FAD | L-ornithine N(5)-monooxygenase | / | 0.440 |