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 |
|---|---|---|---|
| 2pg2 | ADP | Kinesin-like protein KIF11 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2pg2 | ADP | Kinesin-like protein KIF11 | / | 1.000 | |
| 2xae | ADP | Kinesin-like protein KIF11 | / | 0.652 | |
| 1yrs | ADP | Kinesin-like protein KIF11 | / | 0.581 | |
| 2x2r | ADP | Kinesin-like protein KIF11 | / | 0.564 | |
| 2q2y | ADP | Kinesin-like protein KIF11 | / | 0.563 | |
| 2x7e | ADP | Kinesin-like protein KIF11 | / | 0.518 | |
| 3l9h | ADP | Kinesin-like protein KIF11 | / | 0.518 | |
| 4zhi | ADP | Kinesin-like protein KIF11 | / | 0.516 | |
| 2fl2 | ADP | Kinesin-like protein KIF11 | / | 0.503 | |
| 2gm1 | ADP | Kinesin-like protein KIF11 | / | 0.500 | |
| 2g1q | ADP | Kinesin-like protein KIF11 | / | 0.492 | |
| 3hqd | ANP | Kinesin-like protein KIF11 | / | 0.490 | |
| 8cat | NDP | Catalase | 1.11.1.6 | 0.489 | |
| 3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 4feu | 537 | Aminoglycoside 3'-phosphotransferase AphA1-IAB | / | 0.479 | |
| 2q2z | ADP | Kinesin-like protein KIF11 | / | 0.475 | |
| 4ap0 | ADP | Kinesin-like protein KIF11 | / | 0.472 | |
| 7cat | NDP | Catalase | 1.11.1.6 | 0.464 | |
| 4few | PP2 | Aminoglycoside 3'-phosphotransferase AphA1-IAB | / | 0.463 | |
| 2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.462 | |
| 3s3v | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 4cdm | FO1 | Deoxyribodipyrimidine photolyase | / | 0.457 | |
| 2bf7 | HBI | Pteridine reductase 1 | 1.5.1.33 | 0.454 | |
| 1syn | F89 | Thymidylate synthase | / | 0.453 | |
| 3nxy | D2H | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 1dr3 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 1fm7 | DFV | Chalcone--flavonone isomerase 1 | 5.5.1.6 | 0.451 | |
| 3njo | PYV | Abscisic acid receptor PYR1 | / | 0.451 | |
| 3qak | UKA | Adenosine receptor A2a | / | 0.451 | |
| 1s7g | NAD | NAD-dependent protein deacylase 2 | / | 0.450 | |
| 4elg | 52J | Dihydrofolate reductase | / | 0.450 | |
| 3qm4 | PN0 | Cytochrome P450 2D6 | / | 0.449 | |
| 2ydo | ADN | Adenosine receptor A2a | / | 0.447 | |
| 3t5i | SER_SER_CMT_FAR | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.447 | |
| 5dst | SAH | Protein arginine N-methyltransferase 8 | 2.1.1 | 0.447 | |
| 3sl8 | JN7 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.446 | |
| 1w78 | PD8 | Dihydrofolate synthase/folylpolyglutamate synthase | 6.3.2.12 | 0.445 | |
| 4j52 | 1J3 | Serine/threonine-protein kinase PLK1 | 2.7.11.21 | 0.445 | |
| 3fra | I2H | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 4elb | 34S | Dihydrofolate reductase | / | 0.443 | |
| 4pl9 | ADP | Ethylene receptor 1 | / | 0.443 | |
| 1diu | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 3sn7 | 540 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
| 4iar | ERM | 5-hydroxytryptamine receptor 1B | / | 0.442 | |
| 5bt4 | 2LO | Bromodomain-containing protein 4 | / | 0.442 | |
| 2our | CMP | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.441 | |
| 2pbw | DOQ | Glutamate receptor ionotropic, kainate 1 | / | 0.441 | |
| 3c34 | KAI | Glutamate receptor ionotropic, kainate 1 | / | 0.441 | |
| 3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.441 | |
| 3nrr | D16 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.441 | |
| 2jc6 | QPP | Calcium/calmodulin-dependent protein kinase type 1D | 2.7.11.17 | 0.440 | |
| 3fzt | 4JZ | Protein-tyrosine kinase 2-beta | 2.7.10.2 | 0.440 | |
| 4a4x | JUP | Serine/threonine-protein kinase Nek2 | 2.7.11.1 | 0.440 |