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 |
|---|---|---|---|
| 4js1 | CTN | Beta-galactoside alpha-2,6-sialyltransferase 1 | 2.4.99.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4js1 | CTN | Beta-galactoside alpha-2,6-sialyltransferase 1 | 2.4.99.1 | 1.000 | |
| 3p74 | FMN | Pentaerythritol tetranitrate reductase | / | 0.485 | |
| 3f03 | FMN | Pentaerythritol tetranitrate reductase | / | 0.476 | |
| 2q1s | NAI | Putative nucleotide sugar epimerase/ dehydratase | / | 0.466 | |
| 5dw6 | 0T1 | Succinyl-CoA:acetate CoA-transferase | / | 0.464 | |
| 2q1w | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.459 | |
| 5e5h | 0T1 | Succinyl-CoA:acetate CoA-transferase | / | 0.456 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.453 | |
| 4uwm | FMN | 3,6-diketocamphane 1,6 monooxygenase | 1.14.13 | 0.453 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.452 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.451 | |
| 2g1n | 1IG | Renin | 3.4.23.15 | 0.451 | |
| 4rvd | SAM | D-mycarose 3-C-methyltransferase | / | 0.450 | |
| 2rlc | CHD | Choloylglycine hydrolase | 3.5.1.24 | 0.449 | |
| 3eks | CY9 | Actin-5C | / | 0.449 | |
| 1vyr | FMN | Pentaerythritol tetranitrate reductase | / | 0.448 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.448 | |
| 3h3t | 16H | Collagen type IV alpha-3-binding protein | / | 0.448 | |
| 3i0p | NAD | Malate dehydrogenase, putative | / | 0.448 | |
| 1v3q | 2DI | Purine nucleoside phosphorylase | 2.4.2.1 | 0.446 | |
| 3q9b | B3N | Acetylpolyamine amidohydrolase | / | 0.446 | |
| 4bv9 | NDP | Ketimine reductase mu-crystallin | 1.5.1.25 | 0.446 | |
| 4i1c | 1BE | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
| 2a0w | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.444 | |
| 1i7p | FAD | NADH-cytochrome b5 reductase 3 | 1.6.2.2 | 0.443 | |
| 3c8b | ARG_ARG_GLY_ILE_NH2 | Botulinum neurotoxin type A | 3.4.24.69 | 0.443 | |
| 4eyw | L0R | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.443 | |
| 1h51 | FMN | Pentaerythritol tetranitrate reductase | / | 0.442 | |
| 2abb | FMN | Pentaerythritol tetranitrate reductase | / | 0.442 | |
| 2e8u | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.442 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.442 | |
| 4eu9 | COA | Succinyl-CoA:acetate CoA-transferase | / | 0.442 | |
| 1a9z | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.441 | |
| 2c20 | NAD | UDP-glucose 4-epimerase | / | 0.441 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.441 | |
| 3toz | NAD | Shikimate dehydrogenase (NADP(+)) | / | 0.441 | |
| 4cvm | ANP | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | / | 0.441 | |
| 2hxz | H7J | Cathepsin S | 3.4.22.27 | 0.440 | |
| 3c1o | NAP | Eugenol synthase | / | 0.440 | |
| 4jay | NAP | UDP-N-acetylenolpyruvoylglucosamine reductase | / | 0.440 |