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 |
|---|---|---|---|
| 4pry | LEU_GLU_THR_ACE_ASA | Caspase-3 | 3.4.22.56 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4pry | LEU_GLU_THR_ACE_ASA | Caspase-3 | 3.4.22.56 | 1.000 | |
| 1nmq | 160 | Caspase-3 | 3.4.22.56 | 0.597 | |
| 4zvr | ASP_GLU_VAL_ACE_ASJ | Caspase-7 | 3.4.22.60 | 0.507 | |
| 4pzs | ACO | Histone acetyltransferase p300 | / | 0.475 | |
| 3inr | GDU | UDP-galactopyranose mutase | 5.4.99.9 | 0.468 | |
| 3r7n | ASP_VAL_ALA_ACE_ASA | Caspase-2 | 3.4.22.55 | 0.465 | |
| 3pkd | Y10 | Methionine aminopeptidase 2 | / | 0.461 | |
| 3hdy | GDU | UDP-galactopyranose mutase | / | 0.460 | |
| 3t0i | SAH | Putative methyltransferase | / | 0.457 | |
| 3gf4 | UPG | UDP-galactopyranose mutase | 5.4.99.9 | 0.452 | |
| 3pke | Y10 | Methionine aminopeptidase 2 | / | 0.452 | |
| 3sxj | SAM | Putative methyltransferase | / | 0.452 | |
| 2xug | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.451 | |
| 3rth | RTH | Beta-secretase 1 | 3.4.23.46 | 0.450 | |
| 3pka | Y02 | Methionine aminopeptidase 2 | / | 0.449 | |
| 3b1d | PLS | BetaC-S lyase | / | 0.448 | |
| 4zvp | ASP_GLU_VAL_ACE_ASA | Caspase-7 | 3.4.22.60 | 0.448 | |
| 3nh8 | DC2 | N-acyl-aromatic-L-amino acid amidohydrolase (carboxylate-forming) | 3.5.1.114 | 0.447 | |
| 3cop | ADP | Glycogen synthase | 2.4.1.21 | 0.446 | |
| 4h9t | HL4 | Phosphotriesterase | / | 0.446 | |
| 2aba | STR | Pentaerythritol tetranitrate reductase | / | 0.445 | |
| 4lrr | CF9 | Thymidylate synthase | / | 0.445 | |
| 4eb5 | PLP | Cysteine desulfurase IscS 2 | / | 0.444 | |
| 4ikz | AFS | Di-tripeptide ABC transporter (Permease) | / | 0.444 | |
| 1gve | NAP | Aflatoxin B1 aldehyde reductase member 3 | 1 | 0.443 | |
| 2an9 | GDP | Guanylate kinase | 2.7.4.8 | 0.443 | |
| 3hdq | GDU | UDP-galactopyranose mutase | / | 0.443 | |
| 3u5y | SCG | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.443 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 4rhe | FMN | Flavin prenyltransferase UbiX | / | 0.443 | |
| 1ve7 | 4NP | Acylamino-acid-releasing enzyme | 3.4.19.1 | 0.441 | |
| 3lm1 | LEC | Agglutinin alpha chain | / | 0.441 | |
| 4flk | Y10 | Methionine aminopeptidase 1 | / | 0.441 | |
| 4i1c | 1BE | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 1nhk | CMP | Nucleoside diphosphate kinase | 2.7.4.6 | 0.440 | |
| 1o01 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.440 | |
| 4arb | C57 | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
| 4bfd | 8T3 | Beta-secretase 1 | 3.4.23.46 | 0.440 |