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 |
|---|---|---|---|
| 3thy | ADP | DNA mismatch repair protein Msh2 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3thy | ADP | DNA mismatch repair protein Msh2 | / | 1.000 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.467 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.467 | |
| 3fhx | PLP | Pyridoxal kinase | 2.7.1.35 | 0.465 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.464 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.463 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.462 | |
| 4epq | 0RR | Poly(ADP-ribose) glycohydrolase | / | 0.461 | |
| 4an4 | DUD | Putative glycosyl transferase | / | 0.455 | |
| 3u9y | 09L | Tankyrase-2 | 2.4.2.30 | 0.454 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.453 | |
| 3h86 | AP5 | Adenylate kinase | / | 0.452 | |
| 1ni4 | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.449 | |
| 1ni4 | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.449 | |
| 2g8y | NAD | Hydroxycarboxylate dehydrogenase B | / | 0.449 | |
| 4blr | UTP | NTPase P4 | / | 0.449 | |
| 4gh6 | LUO | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.448 | |
| 1p0p | BCH | Cholinesterase | 3.1.1.8 | 0.447 | |
| 1sq5 | ADP | Pantothenate kinase | 2.7.1.33 | 0.446 | |
| 4b1j | A1R | Poly(ADP-ribose) glycohydrolase | 3.2.1.143 | 0.445 | |
| 4kfq | KFQ | Glutamate receptor ionotropic, NMDA 1 | / | 0.445 | |
| 2rgo | FAD | Alpha-Glycerophosphate Oxidase | / | 0.444 | |
| 2a0w | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.443 | |
| 3n4l | 842 | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
| 4xrg | NAD | Homospermidine synthase | 2.5.1.44 | 0.443 | |
| 1lde | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.441 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.441 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.441 | |
| 4jnk | ZHK | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.441 |