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 |
|---|---|---|---|
| 2qds | MCO | Metallo-beta-lactamase type 2 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2qds | MCO | Metallo-beta-lactamase type 2 | / | 1.000 | |
| 3iog | SDF | Metallo-beta-lactamase type 2 | / | 0.596 | |
| 2ea4 | F79 | Methionine aminopeptidase 2 | / | 0.495 | |
| 2ea2 | F77 | Methionine aminopeptidase 2 | / | 0.485 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.481 | |
| 2chx | 090 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.479 | |
| 1yw9 | A84 | Methionine aminopeptidase 2 | / | 0.478 | |
| 2oci | TYC | Valacyclovir hydrolase | 3.1 | 0.468 | |
| 2v4l | ABJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.467 | |
| 1kt3 | RTL | Retinol-binding protein 4 | / | 0.466 | |
| 1zkl | IBM | High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A | 3.1.4.53 | 0.465 | |
| 4mv4 | ACP | Biotin carboxylase | 6.3.4.14 | 0.463 | |
| 2uup | LK4 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.461 | |
| 3c3e | GDP | 2-phospho-L-lactate transferase | / | 0.461 | |
| 3n3z | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.461 | |
| 3opx | U5P | Suppressor of disruption of TFIIS | / | 0.460 | |
| 4cdm | FO1 | Deoxyribodipyrimidine photolyase | / | 0.460 | |
| 2chz | 093 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.458 | |
| 4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.458 | |
| 4jq4 | IMN | Aldo-keto reductase family 1 member C2 | / | 0.458 | |
| 2bn4 | FAD | NADPH--cytochrome P450 reductase | / | 0.455 | |
| 3uzx | AOX | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.453 | |
| 1kt6 | RTL | Retinol-binding protein 4 | / | 0.452 | |
| 2xgo | ZKD | Uncharacterized protein | / | 0.452 | |
| 4gyz | D5M | Tyrosyl-DNA phosphodiesterase 2 | 3.1.4 | 0.452 | |
| 1dgb | NDP | Catalase | 1.11.1.6 | 0.451 | |
| 1qxl | FR8 | Adenosine deaminase | 3.5.4.4 | 0.451 | |
| 2uxo | TAC | HTH-type transcriptional regulator TtgR | / | 0.451 | |
| 4wh2 | ADP | N-acetylhexosamine 1-kinase | 2.7.1.162 | 0.451 | |
| 4wh3 | ATP | N-acetylhexosamine 1-kinase | 2.7.1.162 | 0.450 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 1iiu | RTL | Retinol-binding protein 4 | / | 0.449 | |
| 2feu | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.449 | |
| 4h0d | ZZ7 | Metallo-beta-lactamase type 2 | / | 0.449 | |
| 4k9y | K9Y | Focal adhesion kinase 1 | 2.7.10.2 | 0.449 | |
| 2a5u | QYT | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.448 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.448 | |
| 4h6k | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.448 | |
| 4iae | 1DX | Alr2278 protein | / | 0.448 | |
| 1kce | CB3 | Thymidylate synthase | / | 0.447 | |
| 3akn | 11D | Fatty acid-binding protein, intestinal | / | 0.447 | |
| 4gh6 | LUO | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.447 | |
| 4jvf | 17X | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.447 | |
| 2ban | 357 | Gag-Pol polyprotein | 2.7.7.49 | 0.446 | |
| 3ozd | 4CT | S-methyl-5'-thioadenosine phosphorylase | / | 0.446 | |
| 3wrm | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.446 | |
| 1q9m | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.445 | |
| 4ezk | 0SD | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.445 | |
| 1i58 | ACP | Chemotaxis protein CheA | 2.7.13.3 | 0.444 | |
| 2op1 | 8PC | Enoyl-ACP reductase | / | 0.444 | |
| 1dgf | NDP | Catalase | 1.11.1.6 | 0.443 | |
| 1fdk | GLE | Phospholipase A2 | 3.1.1.4 | 0.443 | |
| 2w6o | OA3 | Biotin carboxylase | 6.3.4.14 | 0.443 | |
| 3bxo | UPP | dTDP-3-amino-3,4,6-trideoxy-alpha-D-glucopyranose | / | 0.443 | |
| 3e8e | G98 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.443 | |
| 4x7y | SAH | Mycinamicin III 3''-O-methyltransferase | 2.1.1.237 | 0.443 | |
| 1ndz | FR5 | Adenosine deaminase | 3.5.4.4 | 0.442 | |
| 2jj2 | ADP | ATP synthase subunit alpha, mitochondrial | / | 0.442 | |
| 2jj2 | ADP | ATP synthase subunit beta, mitochondrial | 3.6.3.14 | 0.442 | |
| 2zsh | GA3 | Gibberellin receptor GID1A | 3 | 0.442 | |
| 3q5k | D1U | Heat shock protein 83-1 | / | 0.442 | |
| 4bw3 | 9BM | Bromodomain-containing protein 4 | / | 0.442 | |
| 4iaq | 2GM | 5-hydroxytryptamine receptor 1B | / | 0.442 | |
| 2ada | HPR | Adenosine deaminase | 3.5.4.4 | 0.441 | |
| 2nnq | T4B | Fatty acid-binding protein, adipocyte | / | 0.441 | |
| 2prh | 238 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1.3.5.2 | 0.441 | |
| 4fjy | FJY | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.441 | |
| 4g2l | 0WL | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.441 | |
| 1fdw | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.440 | |
| 1nbm | ADP | ATP synthase subunit beta, mitochondrial | 3.6.3.14 | 0.440 | |
| 4eil | UMP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.440 |