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 |
|---|---|---|---|
| 2ag1 | TPP | Benzaldehyde lyase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2ag1 | TPP | Benzaldehyde lyase | / | 1.000 | |
| 2ag0 | TPP | Benzaldehyde lyase | / | 0.515 | |
| 2uz1 | TPP | Benzaldehyde lyase | / | 0.515 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.499 | |
| 2v3w | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.492 | |
| 2c31 | TZD | Oxalyl-CoA decarboxylase | 4.1.1.8 | 0.491 | |
| 4zp1 | TPP | Pyruvate decarboxylase | 4.1.1.1 | 0.477 | |
| 3f03 | FMN | Pentaerythritol tetranitrate reductase | / | 0.471 | |
| 4jub | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.468 | |
| 3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.467 | |
| 2q5o | TPW | Indole-3-pyruvate decarboxylase | 4.1.1.74 | 0.466 | |
| 2q5o | PPY | Indole-3-pyruvate decarboxylase | 4.1.1.74 | 0.466 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 4cdm | FO1 | Deoxyribodipyrimidine photolyase | / | 0.465 | |
| 2jla | TPP | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | / | 0.464 | |
| 2vk8 | TPP | Pyruvate decarboxylase isozyme 1 | / | 0.462 | |
| 1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.460 | |
| 3cge | COA | Coenzyme A disulfide reductase | / | 0.460 | |
| 2ihu | TP9 | N(2)-(2-carboxyethyl)arginine synthase | / | 0.456 | |
| 2x7h | PFN | Prostaglandin reductase 3 | 1 | 0.456 | |
| 3cgd | COA | Coenzyme A disulfide reductase | / | 0.456 | |
| 3iod | A6D | Pantothenate synthetase | 6.3.2.1 | 0.456 | |
| 1u2y | GOX | Pancreatic alpha-amylase | / | 0.453 | |
| 2jlc | TPP | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | / | 0.453 | |
| 4okx | 198 | Androgen receptor | / | 0.453 | |
| 3cgc | COA | Coenzyme A disulfide reductase | / | 0.452 | |
| 3zh8 | C58 | Protein kinase C iota type | 2.7.11.13 | 0.452 | |
| 4k9n | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.452 | |
| 5a4k | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.452 | |
| 4c73 | TLH | 3-oxoacyl-ACP synthase | / | 0.451 | |
| 1cjk | FOK | Adenylate cyclase type 2 | / | 0.450 | |
| 1cjk | FOK | Adenylate cyclase type 5 | / | 0.450 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.449 | |
| 3b6z | CO7 | Enoyl reductase LovC | 1 | 0.447 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.447 | |
| 4hy6 | FJ1 | Heat shock protein HSP 90-alpha | / | 0.447 | |
| 2pk3 | A2R | GDP-6-deoxy-D-mannose reductase | / | 0.446 | |
| 3maa | FKP | Adenylate cyclase type 2 | / | 0.446 | |
| 3maa | FKP | Adenylate cyclase type 5 | / | 0.446 | |
| 3s79 | ASD | Aromatase | 1.14.14.14 | 0.446 | |
| 4uym | VOR | 14-alpha sterol demethylase Cyp51B | / | 0.446 | |
| 2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.445 | |
| 2q5q | TPW | Indole-3-pyruvate decarboxylase | 4.1.1.74 | 0.445 | |
| 2x7j | TPP | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | / | 0.445 | |
| 4exg | 916 | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
| 1rfu | ADP | Pyridoxal kinase | 2.7.1.35 | 0.444 | |
| 3cgb | COA | Coenzyme A disulfide reductase | / | 0.444 | |
| 3in6 | FMN | Uncharacterized protein | / | 0.444 | |
| 4y1b | NAP | AntE | / | 0.444 | |
| 1dhi | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 2cgp | CMP | cAMP-activated global transcriptional regulator CRP | / | 0.443 | |
| 3qfa | FAD | Thioredoxin reductase 1, cytoplasmic | 1.8.1.9 | 0.443 | |
| 4anu | EM7 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.443 | |
| 4df2 | FMN | NADPH dehydrogenase | / | 0.443 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.443 | |
| 5dqr | FAD | 7-hydroxymethyl chlorophyll a reductase, chloroplastic | 1.17.7.2 | 0.443 | |
| 5ej9 | TPP | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | / | 0.443 | |
| 1h63 | FMN | Pentaerythritol tetranitrate reductase | / | 0.442 | |
| 1thn | ADP | Anti-sigma F factor | / | 0.442 | |
| 1tl7 | FOK | Adenylate cyclase type 2 | / | 0.442 | |
| 1tl7 | FOK | Adenylate cyclase type 5 | / | 0.442 | |
| 2ihv | TPP | N(2)-(2-carboxyethyl)arginine synthase | / | 0.442 | |
| 2iyf | ERY | Oleandomycin glycosyltransferase | 2.4.1 | 0.442 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.442 | |
| 3mpi | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.442 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1geb | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1y9d | TPP | Pyruvate oxidase | 1.2.3.3 | 0.441 | |
| 3oix | FMN | Dihydroorotate dehydrogenase | / | 0.441 | |
| 4r1l | ADP | Phenylacetate-coenzyme A ligase | / | 0.441 | |
| 1h66 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.440 | |
| 1kt8 | ILP | Branched-chain-amino-acid aminotransferase, mitochondrial | 2.6.1.42 | 0.440 | |
| 2cv2 | GSU | Glutamate--tRNA ligase | 6.1.1.17 | 0.440 | |
| 4dh6 | 0KN | Beta-secretase 1 | 3.4.23.46 | 0.440 |