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 |
|---|---|---|---|
| 4b1d | 6TG | Beta-secretase 1 | 3.4.23.46 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4b1d | 6TG | Beta-secretase 1 | 3.4.23.46 | 1.000 | |
| 4acu | QN7 | Beta-secretase 1 | 3.4.23.46 | 0.668 | |
| 4b77 | 54M | Beta-secretase 1 | 3.4.23.46 | 0.643 | |
| 4b00 | I6X | Beta-secretase 1 | 3.4.23.46 | 0.612 | |
| 4b72 | 2FB | Beta-secretase 1 | 3.4.23.46 | 0.611 | |
| 4b05 | 32D | Beta-secretase 1 | 3.4.23.46 | 0.605 | |
| 4acx | S8Z | Beta-secretase 1 | 3.4.23.46 | 0.581 | |
| 4djv | 0KM | Beta-secretase 1 | 3.4.23.46 | 0.573 | |
| 4jp9 | 1M5 | Beta-secretase 1 | 3.4.23.46 | 0.573 | |
| 3l5d | BDV | Beta-secretase 1 | 3.4.23.46 | 0.568 | |
| 4h3f | 10O | Beta-secretase 1 | 3.4.23.46 | 0.561 | |
| 4b1e | 6T6 | Beta-secretase 1 | 3.4.23.46 | 0.554 | |
| 4fri | DWA | Beta-secretase 1 | 3.4.23.46 | 0.554 | |
| 3rtm | RTM | Beta-secretase 1 | 3.4.23.46 | 0.549 | |
| 4b0q | GMF | Beta-secretase 1 | 3.4.23.46 | 0.548 | |
| 4b1c | 1B1 | Beta-secretase 1 | 3.4.23.46 | 0.547 | |
| 3l5b | BDO | Beta-secretase 1 | 3.4.23.46 | 0.546 | |
| 2wjo | QUD | Beta-secretase 1 | 3.4.23.46 | 0.545 | |
| 3s2o | EV6 | Beta-secretase 1 | 3.4.23.46 | 0.537 | |
| 3vv8 | B02 | Beta-secretase 1 | 3.4.23.46 | 0.537 | |
| 4l7j | 1W2 | Beta-secretase 1 | 3.4.23.46 | 0.535 | |
| 3h0b | B35 | Beta-secretase 1 | 3.4.23.46 | 0.531 | |
| 3l5e | BDW | Beta-secretase 1 | 3.4.23.46 | 0.525 | |
| 3rsv | 3RS | Beta-secretase 1 | 3.4.23.46 | 0.523 | |
| 2q15 | 3MR | Beta-secretase 1 | 3.4.23.46 | 0.522 | |
| 4l7h | 1W1 | Beta-secretase 1 | 3.4.23.46 | 0.521 | |
| 4h3j | 10W | Beta-secretase 1 | 3.4.23.46 | 0.519 | |
| 3rvi | RVI | Beta-secretase 1 | 3.4.23.46 | 0.516 | |
| 3rtn | RTN | Beta-secretase 1 | 3.4.23.46 | 0.504 | |
| 4h1e | 10J | Beta-secretase 1 | 3.4.23.46 | 0.496 | |
| 4h3i | 10V | Beta-secretase 1 | 3.4.23.46 | 0.495 | |
| 2ohl | 2AQ | Beta-secretase 1 | 3.4.23.46 | 0.488 | |
| 4djx | 0KQ | Beta-secretase 1 | 3.4.23.46 | 0.487 | |
| 3rth | RTH | Beta-secretase 1 | 3.4.23.46 | 0.484 | |
| 3zmg | 6Z0 | Beta-secretase 1 | 3.4.23.46 | 0.484 | |
| 2ed4 | NAD | 4-hydroxyphenylacetate 3-monooxygenase reductase component | 1.5.1.36 | 0.475 | |
| 3ufl | 508 | Beta-secretase 1 | 3.4.23.46 | 0.475 | |
| 4j0z | 1H5 | Beta-secretase 1 | 3.4.23.46 | 0.472 | |
| 2vpr | TDC | Tetracycline repressor protein class H | / | 0.465 | |
| 3zov | WZV | Beta-secretase 1 | 3.4.23.46 | 0.461 | |
| 4j1i | 1HH | Beta-secretase 1 | 3.4.23.46 | 0.459 | |
| 1h22 | E10 | Acetylcholinesterase | 3.1.1.7 | 0.456 | |
| 1tdu | CB3 | Thymidylate synthase | / | 0.451 | |
| 3jsw | JAR | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.451 | |
| 3nj0 | PYV | Abscisic acid receptor PYL2 | / | 0.451 | |
| 2lfo | GCH | Fatty acid-binding protein, liver | / | 0.450 | |
| 1x1c | SAH | C-20 methyltransferase | / | 0.449 | |
| 3ld6 | BCD | Lanosterol 14-alpha demethylase | 1.14.13.70 | 0.448 | |
| 1rt9 | IMH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.447 | |
| 2ejz | SAH | Diphthine synthase | / | 0.446 | |
| 3b9l | AZZ | Serum albumin | / | 0.446 | |
| 4drj | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.446 | |
| 4drj | RAP | Peptidyl-prolyl cis-trans isomerase FKBP4 | 5.2.1.8 | 0.446 | |
| 4j1k | 1HG | Beta-secretase 1 | 3.4.23.46 | 0.446 | |
| 1b2l | NDC | Alcohol dehydrogenase | 1.1.1.1 | 0.445 | |
| 1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 4b14 | 4XB | Glycylpeptide N-tetradecanoyltransferase | / | 0.445 | |
| 2rhr | EMO | Putative ketoacyl reductase | 1.3.1 | 0.444 | |
| 4gh6 | LUO | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.443 | |
| 1lke | DOG | Bilin-binding protein | / | 0.442 | |
| 3dys | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.442 | |
| 4h3g | 10Q | Beta-secretase 1 | 3.4.23.46 | 0.442 | |
| 2v2z | ADP | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | / | 0.440 | |
| 3c41 | ANP | Amino acid ABC transporter | / | 0.440 | |
| 3dy8 | 5GP | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.440 | |
| 3fr5 | I4A | Fatty acid-binding protein, adipocyte | / | 0.440 |