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 |
|---|---|---|---|
| 1q6y | COA | Formyl-CoA:oxalate CoA-transferase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1q6y | COA | Formyl-CoA:oxalate CoA-transferase | / | 1.000 | |
| 1pt5 | ACO | Formyl-CoA:oxalate CoA-transferase | / | 0.631 | |
| 1pt8 | ACO | Formyl-CoA:oxalate CoA-transferase | / | 0.574 | |
| 1p5r | COA | Formyl-CoA:oxalate CoA-transferase | / | 0.507 | |
| 3lfm | 3DT | Alpha-ketoglutarate-dependent dioxygenase FTO | / | 0.490 | |
| 3p67 | FMN | Pentaerythritol tetranitrate reductase | / | 0.490 | |
| 1xel | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.471 | |
| 4bca | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.471 | |
| 2gna | GDU | UDP-N-acetylglucosamine 4,6-dehydratase (inverting) | 4.2.1.115 | 0.468 | |
| 3f03 | FMN | Pentaerythritol tetranitrate reductase | / | 0.467 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.466 | |
| 1esv | LAR | Actin, alpha skeletal muscle | / | 0.462 | |
| 4bc7 | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.462 | |
| 1a9y | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.461 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.461 | |
| 3gwd | NAP | Cyclohexanone monooxygenase | / | 0.457 | |
| 1vgq | CAO | Formyl-CoA:oxalate CoA-transferase | / | 0.455 | |
| 4bfz | ZVZ | Pantothenate kinase | 2.7.1.33 | 0.454 | |
| 1toj | HCI | Aspartate aminotransferase | 2.6.1.1 | 0.453 | |
| 2yvw | EPU | UDP-N-acetylglucosamine 1-carboxyvinyltransferase | / | 0.453 | |
| 3o03 | NAP | Dehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) | / | 0.453 | |
| 3qw4 | U5P | Orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative | / | 0.453 | |
| 3t4h | MD5 | Alpha-ketoglutarate-dependent dioxygenase AlkB | 1.14.11.33 | 0.453 | |
| 4ead | 0NP | Thymidine phosphorylase | 2.4.2.4 | 0.453 | |
| 3gon | ANP | Phosphomevalonate kinase | / | 0.451 | |
| 2g1n | 1IG | Renin | 3.4.23.15 | 0.450 | |
| 4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.450 | |
| 3ld6 | BCD | Lanosterol 14-alpha demethylase | 1.14.13.70 | 0.449 | |
| 3mau | PLR | Putative sphingosine-1-phosphate lyase | / | 0.449 | |
| 1bwl | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.448 | |
| 1h51 | FMN | Pentaerythritol tetranitrate reductase | / | 0.448 | |
| 1t4c | COA | Formyl-CoA:oxalate CoA-transferase | / | 0.448 | |
| 2uxo | TAC | HTH-type transcriptional regulator TtgR | / | 0.448 | |
| 3uhm | RFN | UDP-3-O-acyl-N-acetylglucosamine deacetylase | / | 0.448 | |
| 3upk | UD1 | UDP-N-acetylglucosamine 1-carboxyvinyltransferase | / | 0.448 | |
| 4bby | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.448 | |
| 1k27 | MTM | S-methyl-5'-thioadenosine phosphorylase | / | 0.447 | |
| 4lcj | NAD | C-terminal-binding protein 2 | / | 0.447 | |
| 4wh3 | ATP | N-acetylhexosamine 1-kinase | 2.7.1.162 | 0.447 | |
| 5dn1 | AMZ | Phosphoribosyl isomerase A | 5.3.1.16 | 0.447 | |
| 2abj | PLP | Branched-chain-amino-acid aminotransferase, cytosolic | 2.6.1.42 | 0.446 | |
| 2q9f | C3S | Cholesterol 24-hydroxylase | / | 0.446 | |
| 2ydx | STL | Methionine adenosyltransferase 2 subunit beta | / | 0.446 | |
| 5c2t | FAD | Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial | / | 0.446 | |
| 3mpi | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.445 | |
| 1ykd | CMP | Adenylate cyclase | / | 0.444 | |
| 2jbs | FMN | p-hydroxyphenylacetate 3-hydroxylase, oxygenase component | / | 0.444 | |
| 3q9b | B3N | Acetylpolyamine amidohydrolase | / | 0.444 | |
| 1u8v | FAD | 4-hydroxybutyryl-CoA dehydratase/vinylacetyl-CoA-Delta-isomerase | / | 0.443 | |
| 3evb | SAH | Genome polyprotein | 2.1.1.56 | 0.443 | |
| 3p82 | FMN | Pentaerythritol tetranitrate reductase | / | 0.443 | |
| 3tba | ADP | Ribonucleoside-diphosphate reductase large chain 1 | 1.17.4.1 | 0.443 | |
| 4lb2 | DM5 | Serum albumin | / | 0.443 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.442 | |
| 2abj | CBC | Branched-chain-amino-acid aminotransferase, cytosolic | 2.6.1.42 | 0.442 | |
| 3ea0 | ATP | ATPase, ParA family | / | 0.442 | |
| 4enh | FVX | Cholesterol 24-hydroxylase | / | 0.442 | |
| 4g67 | SAH | Uncharacterized ACR, COG1565 superfamily | / | 0.442 | |
| 4z63 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.442 | |
| 1a72 | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.441 | |
| 1akb | PPD | Aspartate aminotransferase, mitochondrial | 2.6.1.1 | 0.441 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.441 | |
| 1kzj | CB3 | Thymidylate synthase | / | 0.441 | |
| 1piw | NAP | NADP-dependent alcohol dehydrogenase 6 | 1.1.1.2 | 0.441 | |
| 1rf7 | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 3u9e | COA | Lmo1369 protein | / | 0.441 | |
| 5uvi | ZMA | Adenosine receptor A2a | / | 0.441 | |
| 1a9z | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.440 | |
| 1sd1 | FMC | S-methyl-5'-thioadenosine phosphorylase | / | 0.440 | |
| 2aq7 | TL5 | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | 2.3.1.41 | 0.440 | |
| 2rqf | JH3 | Hemolymph juvenile hormone binding protein | / | 0.440 | |
| 3a0t | ADP | Sensor histidine kinase | / | 0.440 | |
| 4b4w | 9L9 | Bifunctional protein FolD | / | 0.440 | |
| 5a8a | ADP | Riboflavin biosynthesis protein RibF | 2.7.1.26 | 0.440 |