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 |
|---|---|---|---|
| 4o2b | LOC | Tubulin beta-2B chain |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4o2b | LOC | Tubulin beta-2B chain | / | 1.000 | |
| 5eyp | LOC | Tubulin beta chain | / | 0.625 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.512 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.483 | |
| 2hwr | DRD | Peroxisome proliferator-activated receptor gamma | / | 0.474 | |
| 1eup | ASD | 6-deoxyerythronolide B hydroxylase | / | 0.472 | |
| 4nh8 | 2LC | Heat shock protein HSP 90-alpha | / | 0.468 | |
| 3d7k | D7K | Benzaldehyde lyase | / | 0.467 | |
| 1pmn | 984 | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.465 | |
| 5a3c | NAD | SIR2 family protein | / | 0.464 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.463 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.463 | |
| 3kjs | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.463 | |
| 2fwy | H64 | Heat shock protein HSP 90-alpha | / | 0.462 | |
| 5ecc | NAP | Dehydrofolate reductase type I | / | 0.462 | |
| 3inx | JZC | Heat shock protein HSP 90-alpha | / | 0.460 | |
| 1dhj | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
| 3wrm | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.458 | |
| 1kbo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.457 | |
| 2wi7 | 2KL | Heat shock protein HSP 90-alpha | / | 0.457 | |
| 4hle | 17V | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.457 | |
| 1guf | NDP | Enoyl-[acyl-carrier-protein] reductase 1, mitochondrial | 1.3.1.10 | 0.456 | |
| 1jio | DEB | 6-deoxyerythronolide B hydroxylase | / | 0.456 | |
| 4xiw | AZM | Carbonic anhydrase, alpha type | / | 0.456 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.454 | |
| 3tqh | NDP | Quinone oxidoreductase | / | 0.454 | |
| 5bsg | NAP | Pyrroline-5-carboxylate reductase | / | 0.454 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.453 | |
| 2om9 | AJA | Peroxisome proliferator-activated receptor gamma | / | 0.453 | |
| 2pmd | GNP | Translation initiation factor 2 subunit gamma | / | 0.453 | |
| 3zux | TCH | Transporter | / | 0.453 | |
| 1qbg | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.452 | |
| 3ft8 | MOJ | Heat shock protein HSP 90-alpha | / | 0.452 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.452 | |
| 1dz6 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.451 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.451 | |
| 2fwz | H71 | Heat shock protein HSP 90-alpha | / | 0.450 | |
| 2g24 | 7IG | Renin | 3.4.23.15 | 0.450 | |
| 3n7u | NAD | Formate dehydrogenase, chloroplastic/mitochondrial | / | 0.450 | |
| 1dxq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.449 | |
| 1gg5 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.449 | |
| 1k6c | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.449 | |
| 4nd2 | A3D | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.449 | |
| 4nxu | ADP | Mitochondrial dynamics protein MID51 | / | 0.449 | |
| 5kjc | PFB | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.449 | |
| 1zmd | NAI | Dihydrolipoyl dehydrogenase, mitochondrial | 1.8.1.4 | 0.448 | |
| 3fwf | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.448 | |
| 4dqu | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.448 | |
| 1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.447 | |
| 1pdh | FAS | p-hydroxybenzoate hydroxylase | / | 0.447 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.447 | |
| 3d4p | NAD | L-lactate dehydrogenase 1 | 1.1.1.27 | 0.447 | |
| 3qdd | 94M | Heat shock protein HSP 90-alpha | / | 0.447 | |
| 4l42 | 5FI | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.447 | |
| 1fpq | SAM | Isoliquiritigenin 2'-O-methyltransferase | / | 0.446 | |
| 1k6t | XN1 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.446 | |
| 2yke | YKE | Heat shock protein HSP 90-alpha | / | 0.446 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.446 | |
| 1dxo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.445 | |
| 1xkk | FMM | Epidermal growth factor receptor | 2.7.10.1 | 0.445 | |
| 2o2u | 738 | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.445 | |
| 3vt5 | YI2 | Vitamin D3 receptor | / | 0.445 | |
| 1ie4 | T44 | Transthyretin | / | 0.444 | |
| 1kkq | 471 | Peroxisome proliferator-activated receptor alpha | / | 0.444 | |
| 3ada | NAD | Subunit alpha of sarocosine oxidase | / | 0.444 | |
| 3poz | 03P | Epidermal growth factor receptor | 2.7.10.1 | 0.444 | |
| 4ewn | 0VR | Imidazole glycerol phosphate synthase subunit HisF | 4.1.3 | 0.444 | |
| 6cp4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 1h66 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.443 | |
| 1zmc | NAD | Dihydrolipoyl dehydrogenase, mitochondrial | 1.8.1.4 | 0.443 | |
| 2nni | MTK | Cytochrome P450 2C8 | / | 0.443 | |
| 3tk3 | CPZ | Cytochrome P450 2B4 | 1.14.14.1 | 0.443 | |
| 4efu | EFU | Heat shock protein HSP 90-alpha | / | 0.443 | |
| 4gyz | D5M | Tyrosyl-DNA phosphodiesterase 2 | 3.1.4 | 0.443 | |
| 1dr3 | HBI | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1k6p | XN3 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 2ykc | YKC | Heat shock protein HSP 90-alpha | / | 0.442 | |
| 3wrj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.442 | |
| 3zuy | TCH | Transporter | / | 0.442 | |
| 1jip | KTN | 6-deoxyerythronolide B hydroxylase | / | 0.441 | |
| 1zy8 | FAD | Dihydrolipoyl dehydrogenase, mitochondrial | 1.8.1.4 | 0.441 | |
| 2cpp | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 2q9f | C3S | Cholesterol 24-hydroxylase | / | 0.441 | |
| 2w9s | TOP | Dihydrofolate reductase type 1 from Tn4003 | 1.5.1.3 | 0.441 | |
| 2yjx | YJX | Heat shock protein HSP 90-alpha | / | 0.441 | |
| 4awq | 592 | Heat shock protein HSP 90-alpha | / | 0.441 | |
| 1dr2 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 1hwz | NDP | Glutamate dehydrogenase 1, mitochondrial | 1.4.1.3 | 0.440 | |
| 1w2x | RCP | Acetyl-CoA carboxylase | / | 0.440 | |
| 1yrc | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 | |
| 2ca0 | PXI | Cytochrome P450 monooxygenase PikC | / | 0.440 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.440 | |
| 2pob | GW4 | Peroxisome proliferator-activated receptor gamma | / | 0.440 | |
| 2q59 | 240 | Peroxisome proliferator-activated receptor gamma | / | 0.440 | |
| 2q5p | 241 | Peroxisome proliferator-activated receptor gamma | / | 0.440 | |
| 2wue | KEK | 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase | 3.7.1.17 | 0.440 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.440 | |
| 3elj | GS7 | Mitogen-activated protein kinase 8 | 2.7.11.24 | 0.440 | |
| 3r5z | F42 | Uncharacterized protein | / | 0.440 | |
| 3rak | 03Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
| 3sp6 | IL2 | Peroxisome proliferator-activated receptor alpha | / | 0.440 | |
| 3zc3 | NAP | Ferredoxin--NADP reductase | 1.18.1.2 | 0.440 | |
| 4aac | AAV | Mitogen-activated protein kinase 14 | / | 0.440 | |
| 4hy6 | FJ1 | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 4ng5 | PFB | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.440 | |
| 4nky | 3QZ | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.440 |