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 |
|---|---|---|---|
| 1on3 | MCA | Methylmalonyl-CoA carboxyltransferase 12S subunit | 2.1.3.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1on3 | MCA | Methylmalonyl-CoA carboxyltransferase 12S subunit | 2.1.3.1 | 1.000 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.471 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.471 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.467 | |
| 2w9h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 3uzw | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.464 | |
| 1nqv | LMZ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.461 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.461 | |
| 3bts | NAD | Galactose/lactose metabolism regulatory protein GAL80 | / | 0.461 | |
| 4eyw | L0R | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.461 | |
| 4ktk | KTK | Cytochrome P450 | / | 0.460 | |
| 4l4x | NDP | AmphI | / | 0.459 | |
| 4eag | ATP | 5'-AMP-activated protein kinase subunit gamma-1 | / | 0.456 | |
| 1kvs | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.454 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.452 | |
| 5hbr | COA | Acyl-CoA synthetase (NDP forming) | / | 0.452 | |
| 4hhz | 15S | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.451 | |
| 4dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 4bge | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.449 | |
| 3dys | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.448 | |
| 1kt8 | ILP | Branched-chain-amino-acid aminotransferase, mitochondrial | 2.6.1.42 | 0.446 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.446 | |
| 1ml6 | GBX | Glutathione S-transferase A2 | 2.5.1.18 | 0.445 | |
| 1pqc | 444 | Oxysterols receptor LXR-beta | / | 0.445 | |
| 1vi2 | NAD | Quinate/shikimate dehydrogenase | / | 0.445 | |
| 4b4v | L34 | Bifunctional protein FolD | / | 0.445 | |
| 1pq9 | 44B | Oxysterols receptor LXR-beta | / | 0.444 | |
| 1ra3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 2npx | NAD | NADH peroxidase | 1.11.1.1 | 0.444 | |
| 3e8x | NAP | BH1520 protein | / | 0.444 | |
| 2a94 | AP0 | L-lactate dehydrogenase | 1.1.1.27 | 0.442 | |
| 4bgi | I4I | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.442 | |
| 1j49 | NAD | D-lactate dehydrogenase | 1.1.1.28 | 0.441 | |
| 2abj | CBC | Branched-chain-amino-acid aminotransferase, cytosolic | 2.6.1.42 | 0.440 |