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 |
|---|---|---|---|
| 1wuw | TSU | Beta-hordothionin |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1wuw | TSU | Beta-hordothionin | / | 1.000 | |
| 1gjv | AGS | [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial | 2.7.11.4 | 0.471 | |
| 2ch6 | ADP | N-acetyl-D-glucosamine kinase | 2.7.1.59 | 0.469 | |
| 1hdg | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.468 | |
| 3tri | NAP | Pyrroline-5-carboxylate reductase | / | 0.466 | |
| 4emt | C2E | Stimulator of interferon genes protein | / | 0.465 | |
| 1cul | FOK | Adenylate cyclase type 2 | / | 0.464 | |
| 1cul | FOK | Adenylate cyclase type 5 | / | 0.464 | |
| 1z3c | SA8 | mRNA cap guanine-N7 methyltransferase | 2.1.1.56 | 0.456 | |
| 3hk1 | B64 | Fatty acid-binding protein, adipocyte | / | 0.454 | |
| 2ylx | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.453 | |
| 3nyr | MLC | Putative fatty acid synthase | / | 0.453 | |
| 2vnj | NAP | NADPH:ferredoxin reductase | / | 0.452 | |
| 2x0r | NAD | Malate dehydrogenase | / | 0.452 | |
| 3zu2 | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.450 | |
| 1qvr | ANP | Chaperone protein ClpB | / | 0.449 | |
| 1t57 | FMN | Conserved protein | / | 0.449 | |
| 2phk | ATP | Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform | 2.7.11.19 | 0.447 | |
| 2vwq | NAP | Glucose 1-dehydrogenase | / | 0.447 | |
| 3s87 | ADP | Ribonucleoside-diphosphate reductase large chain 1 | 1.17.4.1 | 0.447 | |
| 5bsg | NAP | Pyrroline-5-carboxylate reductase | / | 0.447 | |
| 1u80 | C5P | Coenzyme A biosynthesis bifunctional protein CoaBC | 6.3.2.5 | 0.446 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.446 | |
| 2a1m | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.445 | |
| 2ekl | NAD | D-3-phosphoglycerate dehydrogenase | / | 0.445 | |
| 3qc9 | ADP | Rhodopsin kinase | / | 0.445 | |
| 4ajj | 88R | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.444 | |
| 1xel | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.443 | |
| 2ge3 | ACO | Probable acetyltransferase | / | 0.443 | |
| 2xfs | J01 | Uncharacterized protein | / | 0.443 | |
| 3ajr | NAD | NDP-sugar epimerase | / | 0.443 | |
| 1cjv | FOK | Adenylate cyclase type 2 | / | 0.442 | |
| 1cjv | FOK | Adenylate cyclase type 5 | / | 0.442 | |
| 1omo | NAD | Alanine dehydrogenase | / | 0.442 | |
| 3mvq | NDP | Glutamate dehydrogenase 1, mitochondrial | 1.4.1.3 | 0.442 | |
| 4bcr | WY1 | Peroxisome proliferator-activated receptor alpha | / | 0.442 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.442 | |
| 4m55 | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.442 | |
| 5c46 | GSP | Ras-related protein Rab-11A | / | 0.442 | |
| 5kjf | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.442 | |
| 3fql | 79Z | Genome polyprotein | 2.7.7.48 | 0.441 | |
| 4jb1 | FAD | UDP-N-acetylenolpyruvoylglucosamine reductase | / | 0.441 | |
| 1lsj | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.440 | |
| 4du8 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.440 | |
| 5cns | CDP | Ribonucleoside-diphosphate reductase 1 subunit alpha | 1.17.4.1 | 0.440 |