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 |
|---|---|---|---|
| 1dr4 | HBI | Dihydrofolate reductase | 1.5.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1dr4 | HBI | Dihydrofolate reductase | 1.5.1.3 | 1.000 | |
| 1dr3 | HBI | Dihydrofolate reductase | 1.5.1.3 | 0.672 | |
| 1dr3 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.644 | |
| 2w3a | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.604 | |
| 1dr5 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.595 | |
| 3nxt | D2E | Dihydrofolate reductase | 1.5.1.3 | 0.584 | |
| 3nxv | D2F | Dihydrofolate reductase | 1.5.1.3 | 0.579 | |
| 4kbn | 25U | Dihydrofolate reductase | 1.5.1.3 | 0.575 | |
| 4kd7 | 9DR | Dihydrofolate reductase | 1.5.1.3 | 0.568 | |
| 4kak | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.563 | |
| 3nxo | D2B | Dihydrofolate reductase | 1.5.1.3 | 0.562 | |
| 3k47 | D09 | Dihydrofolate reductase | 1.5.1.3 | 0.561 | |
| 4kfj | 1R0 | Dihydrofolate reductase | 1.5.1.3 | 0.552 | |
| 1s3w | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.539 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.527 | |
| 4g95 | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.525 | |
| 3nxr | D2D | Dihydrofolate reductase | 1.5.1.3 | 0.520 | |
| 3nxy | D2H | Dihydrofolate reductase | 1.5.1.3 | 0.518 | |
| 1dr2 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.503 | |
| 1boz | PRD | Dihydrofolate reductase | 1.5.1.3 | 0.499 | |
| 4keb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.493 | |
| 4ddr | MMV | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 2bl9 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.483 | |
| 1hfr | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.480 | |
| 3cse | N22 | Uncharacterized protein | / | 0.480 | |
| 4qjc | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
| 2h2q | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.477 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 4zzi | 1NS | NAD-dependent protein deacetylase sirtuin-1 | 3.5.1 | 0.476 | |
| 1hfp | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.472 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 3nrr | D16 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.468 | |
| 1ohj | COP | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 4iar | ERM | 5-hydroxytryptamine receptor 1B | / | 0.460 | |
| 1s3v | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
| 3eej | 53R | Uncharacterized protein | / | 0.459 | |
| 3h4v | DVP | Pteridine reductase 1 | 1.5.1.33 | 0.459 | |
| 3um6 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.458 | |
| 4i6h | 1C8 | Serine/threonine-protein kinase PLK2 | 2.7.11.21 | 0.458 | |
| 1u72 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 4iaq | 2GM | 5-hydroxytryptamine receptor 1B | / | 0.456 | |
| 5dp2 | NAP | CurF | / | 0.456 | |
| 1s7g | NAD | NAD-dependent protein deacylase 2 | / | 0.453 | |
| 4h98 | 14Q | Uncharacterized protein | / | 0.453 | |
| 1mvs | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 2bfm | TOP | Pteridine reductase 1 | 1.5.1.33 | 0.451 | |
| 4ky4 | 04J | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.451 | |
| 1pd8 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 3eem | 53V | Uncharacterized protein | / | 0.450 | |
| 4x5f | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 1dlr | MXA | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 4bfy | ZVY | Pantothenate kinase | 2.7.1.33 | 0.449 | |
| 1dg7 | WRB | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 1y2c | 3DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.448 | |
| 4g8z | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 2blb | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.447 | |
| 3ikt | NAD | Redox-sensing transcriptional repressor Rex | / | 0.447 | |
| 1yc2 | NAD | NAD-dependent protein deacylase 2 | / | 0.446 | |
| 2y0j | AXC | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.446 | |
| 3gie | ACP | Sensor histidine kinase DesK | 2.7.13.3 | 0.446 | |
| 3irn | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.446 | |
| 5k2d | ZMA | Adenosine receptor A2a | / | 0.446 | |
| 2cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3lfc | Z86 | Mitogen-activated protein kinase 14 | / | 0.445 | |
| 3qlz | QLZ | Uncharacterized protein | / | 0.445 | |
| 4dp3 | MMV | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.445 | |
| 1q0r | AKT | Aclacinomycin methylesterase RdmC | 3.1.1.95 | 0.444 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.444 | |
| 4bfw | ZVW | Pantothenate kinase | 2.7.1.33 | 0.443 | |
| 4cdm | FO1 | Deoxyribodipyrimidine photolyase | / | 0.443 | |
| 4fcb | 0T7 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.443 | |
| 4p68 | MTX | Dihydrofolate reductase | / | 0.443 | |
| 1y2d | 4DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.442 | |
| 3p8i | FMN | Pentaerythritol tetranitrate reductase | / | 0.442 | |
| 3qfx | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.441 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.441 | |
| 4gi2 | NAP | Crotonyl-CoA carboxylase/reductase | / | 0.441 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.440 | |
| 3bv7 | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.440 | |
| 3iak | EV1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.440 | |
| 3ihg | VAK | Aklavinone 12-hydroxylase RdmE | / | 0.440 | |
| 3vg9 | ZMA | Adenosine receptor A2a | / | 0.440 |