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 |
|---|---|---|---|
| 4daj | 0HK | Muscarinic acetylcholine receptor M3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4daj | 0HK | Muscarinic acetylcholine receptor M3 | / | 1.000 | |
| 4u16 | 3C0 | Muscarinic acetylcholine receptor M3 | / | 0.657 | |
| 4u14 | 0HK | Muscarinic acetylcholine receptor M3 | / | 0.567 | |
| 5dsg | 0HK | Muscarinic acetylcholine receptor M4 | / | 0.542 | |
| 4u15 | 0HK | Muscarinic acetylcholine receptor M3 | / | 0.538 | |
| 3af0 | GDP | Pantothenate kinase | 2.7.1.33 | 0.507 | |
| 2zs9 | ADP | Pantothenate kinase | 2.7.1.33 | 0.476 | |
| 5cxv | 0HK | Muscarinic acetylcholine receptor M1 | / | 0.471 | |
| 4dbw | 511 | Aldo-keto reductase family 1 member C3 | / | 0.470 | |
| 4li6 | 1XO | Tankyrase-1 | 2.4.2.30 | 0.467 | |
| 3bmq | AX5 | Pteridine reductase | / | 0.466 | |
| 2uxo | TAC | HTH-type transcriptional regulator TtgR | / | 0.464 | |
| 3af1 | GDP | Pantothenate kinase | 2.7.1.33 | 0.464 | |
| 1dx6 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.463 | |
| 4bbh | YBN | Glycylpeptide N-tetradecanoyltransferase | / | 0.462 | |
| 1mcz | RMN | Benzoylformate decarboxylase | 4.1.1.7 | 0.461 | |
| 4llk | MEW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.457 | |
| 4pnm | NU1 | Tankyrase-2 | 2.4.2.30 | 0.457 | |
| 2geu | COK | Pantothenate kinase | 2.7.1.33 | 0.456 | |
| 4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.456 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.456 | |
| 1x1a | SAM | C-20 methyltransferase | / | 0.454 | |
| 2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.454 | |
| 3zku | HCV | Isopenicillin N synthase | 1.21.3.1 | 0.453 | |
| 2a57 | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.452 | |
| 3l6j | Z90 | Alr2278 protein | / | 0.452 | |
| 4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.452 | |
| 4b12 | C23 | Glycylpeptide N-tetradecanoyltransferase | / | 0.450 | |
| 3af2 | ACP | Pantothenate kinase | 2.7.1.33 | 0.449 | |
| 1fml | RTL | Retinol dehydratase | / | 0.448 | |
| 2wsa | 646 | Glycylpeptide N-tetradecanoyltransferase | / | 0.448 | |
| 3zdn | FAD | Monoamine oxidase N | 1.4.3.4 | 0.447 | |
| 4mrm | 2BY | Gamma-aminobutyric acid type B receptor subunit 1 | / | 0.447 | |
| 4zj8 | SUV | Orexin receptor type 1 | / | 0.447 | |
| 2gev | COK | Pantothenate kinase | 2.7.1.33 | 0.446 | |
| 2y0j | AXC | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.446 | |
| 1s7g | NAD | NAD-dependent protein deacylase 2 | / | 0.445 | |
| 2a58 | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.445 | |
| 2h7j | H7J | Cathepsin S | 3.4.22.27 | 0.445 | |
| 3dr7 | GPD | GDP-perosamine synthase | / | 0.445 | |
| 3c1o | NAP | Eugenol synthase | / | 0.444 | |
| 3zv7 | NHG | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 2yne | YNE | Glycylpeptide N-tetradecanoyltransferase | / | 0.443 | |
| 2zse | ACP | Pantothenate kinase | 2.7.1.33 | 0.443 | |
| 3uzz | TES | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.443 | |
| 3ny9 | JSZ | Beta-2 adrenergic receptor | / | 0.443 | |
| 1zgb | A1E | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
| 2clp | NDP | Aflatoxin B1 aldehyde reductase member 3 | / | 0.442 | |
| 3b8x | G4M | Putative pyridoxamine 5-phosphate-dependent dehydrase | / | 0.442 | |
| 3eku | CY9 | Actin-5C | / | 0.442 | |
| 3h3r | 14H | Collagen type IV alpha-3-binding protein | / | 0.441 | |
| 1ni4 | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.440 | |
| 1ni4 | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.440 | |
| 1o6q | R17 | Squalene--hopene cyclase | 4.2.1.129 | 0.440 | |
| 1x8l | OXR | Retinol dehydratase | / | 0.440 | |
| 3bxo | UPP | dTDP-3-amino-3,4,6-trideoxy-alpha-D-glucopyranose | / | 0.440 | |
| 4x7z | ZM3 | Mycinamicin III 3''-O-methyltransferase | 2.1.1.237 | 0.440 |