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 |
|---|---|---|---|
| 1qzf | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1qzf | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 1.000 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.534 | |
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.518 | |
| 1daj | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.511 | |
| 4nx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.511 | |
| 2cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.508 | |
| 4nx6 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.504 | |
| 3um8 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.503 | |
| 4kjj | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.502 | |
| 3sgy | 06W | Dihydrofolate reductase | 1.5.1.3 | 0.500 | |
| 3fy8 | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.499 | |
| 3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.496 | |
| 3srr | Q20 | Dihydrofolate reductase | 1.5.1.3 | 0.495 | |
| 2zza | FOL | Dihydrofolate reductase | / | 0.494 | |
| 3fre | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.493 | |
| 3um6 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.492 | |
| 3srw | Q27 | Dihydrofolate reductase | 1.5.1.3 | 0.491 | |
| 3frf | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.490 | |
| 3inv | C50 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.488 | |
| 3qly | 55V | Uncharacterized protein | / | 0.488 | |
| 4h96 | 14Q | Dihydrofolate reductase | 1.5.1.3 | 0.488 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.487 | |
| 3fyv | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 4x5f | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 3qfx | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.484 | |
| 7dfr | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.484 | |
| 3tq9 | MTX | Dihydrofolate reductase | / | 0.483 | |
| 3qlr | QLR | Dihydrofolate reductase | 1.5.1.3 | 0.480 | |
| 3srs | M23 | Dihydrofolate reductase | 1.5.1.3 | 0.480 | |
| 3fy9 | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.479 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.477 | |
| 4h98 | 14Q | Uncharacterized protein | / | 0.475 | |
| 3eem | 53V | Uncharacterized protein | / | 0.474 | |
| 3fyw | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
| 3qgt | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.474 | |
| 4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
| 4x5g | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 3sru | Q26 | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 2blb | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.469 | |
| 3jwm | 5WB | Dihydrofolate reductase | / | 0.469 | |
| 1dg5 | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 3irn | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.467 | |
| 1e26 | GPB | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 3dat | MTX | Dihydrofolate reductase | / | 0.465 | |
| 3eek | 53S | Uncharacterized protein | / | 0.465 | |
| 3ql3 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 3qlx | QLR | Uncharacterized protein | / | 0.465 | |
| 3sh2 | 5DR | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 3dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 3qyo | Q24 | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 4bbx | LKF | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.462 | |
| 1qpj | STU | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.460 | |
| 1ia1 | TQ3 | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.458 | |
| 3clb | TMQ | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.458 | |
| 3qls | 55V | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 4p66 | MTX | Dihydrofolate reductase | / | 0.456 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.455 | |
| 3eej | 53R | Uncharacterized protein | / | 0.455 | |
| 2oci | TYC | Valacyclovir hydrolase | 3.1 | 0.454 | |
| 3jw5 | TOP | Dihydrofolate reductase | / | 0.453 | |
| 4dp3 | MMV | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.453 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.451 | |
| 1rx2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 4m2x | TMQ | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 2w3w | VG9 | Dihydrofolate reductase | / | 0.449 | |
| 4ddl | 0JQ | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.446 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.445 | |
| 1rg7 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3jsu | KA5 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.445 | |
| 4hni | 16W | Casein kinase I isoform epsilon | 2.7.11.1 | 0.445 | |
| 1m79 | MQ1 | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 3lfc | Z86 | Mitogen-activated protein kinase 14 | / | 0.444 | |
| 2gvc | FAD | Thiol-specific monooxygenase | 1.14.13 | 0.443 | |
| 3oq1 | 3OQ | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.442 | |
| 1t13 | INI | 6,7-dimethyl-8-ribityllumazine synthase 2 | / | 0.440 | |
| 1y2e | 5DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.440 | |
| 2bl9 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.440 | |
| 2vn1 | FK5 | Peptidylprolyl isomerase | / | 0.440 | |
| 3cd2 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 3ue4 | DB8 | Tyrosine-protein kinase ABL1 | 2.7.10.2 | 0.440 | |
| 4bcm | T7Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 |