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 |
|---|---|---|---|
| 3ert | OHT | Estrogen receptor |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3ert | OHT | Estrogen receptor | / | 1.000 | |
| 2ouz | C3D | Estrogen receptor | / | 0.606 | |
| 2ayr | L4G | Estrogen receptor | / | 0.535 | |
| 3nj0 | PYV | Abscisic acid receptor PYL2 | / | 0.484 | |
| 3irm | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.475 | |
| 2blc | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.474 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.473 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.470 | |
| 3cse | N22 | Uncharacterized protein | / | 0.468 | |
| 1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 3njo | PYV | Abscisic acid receptor PYR1 | / | 0.464 | |
| 3qlw | N22 | Dihydrofolate reductase | 1.5.1.3 | 0.462 | |
| 5ccc | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 4bfr | J82 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 2.7.1.153 | 0.459 | |
| 4ap1 | NAP | Steroid monooxygenase | / | 0.458 | |
| 1k6p | XN3 | Gag-Pol polyprotein | 3.4.23.16 | 0.457 | |
| 1m8h | 6NI | Nitric oxide synthase, inducible | 1.14.13.39 | 0.456 | |
| 3qgt | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.456 | |
| 4nc3 | ERM | 5-hydroxytryptamine receptor 2B | / | 0.456 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.454 | |
| 3ans | S38 | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.454 | |
| 3dg8 | RJ6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.453 | |
| 3qlr | QLR | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 3e7m | AT2 | Nitric oxide synthase, inducible | 1.14.13.39 | 0.451 | |
| 4fgc | PQ0 | NADPH-dependent 7-cyano-7-deazaguanine reductase | 1.7.1.13 | 0.451 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 1dz8 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.450 | |
| 1m7a | MQU | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 1ia4 | TQ6 | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 1o76 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.449 | |
| 3ml8 | ML8 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.448 | |
| 1tsx | UMP | Thymidylate synthase | / | 0.447 | |
| 4g3r | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.447 | |
| 4rcv | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | / | 0.447 | |
| 1phe | PIY | Camphor 5-monooxygenase | 1.14.15.1 | 0.446 | |
| 3eek | 53S | Uncharacterized protein | / | 0.446 | |
| 3neg | PYV | Abscisic acid receptor PYL1 | / | 0.446 | |
| 2cpp | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.445 | |
| 2zaw | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.445 | |
| 3l63 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.445 | |
| 3oji | PYV | Abscisic acid receptor PYL3 | / | 0.445 | |
| 4l49 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.445 | |
| 1iwj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 1o9b | NAI | Quinate/shikimate dehydrogenase | / | 0.443 | |
| 1phg | MYT | Camphor 5-monooxygenase | 1.14.15.1 | 0.443 | |
| 2z97 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.443 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.443 | |
| 3qj5 | 022 | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.443 | |
| 3vrw | YS5 | Vitamin D3 receptor | / | 0.443 | |
| 1dr3 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.442 | |
| 1tdr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 3eem | 53V | Uncharacterized protein | / | 0.442 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.441 | |
| 1rx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 2bl9 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.441 | |
| 3dqr | JI2 | Nitric oxide synthase, brain | 1.14.13.39 | 0.441 | |
| 3h3s | H15 | Collagen type IV alpha-3-binding protein | / | 0.441 | |
| 3h3t | 16H | Collagen type IV alpha-3-binding protein | / | 0.441 | |
| 3of2 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.441 | |
| 1dr2 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.440 | |
| 4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 4hvb | 19P | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.440 | |
| 4nmb | FAD | Bifunctional protein PutA | / | 0.440 | |
| 5cp4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 |