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 |
|---|---|---|---|
| 1sn5 | T3 | Transthyretin |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1sn5 | T3 | Transthyretin | / | 1.000 | |
| 1ie4 | T44 | Transthyretin | / | 0.625 | |
| 1sn0 | T44 | Transthyretin | / | 0.606 | |
| 1tz8 | DES | Transthyretin | / | 0.578 | |
| 1ict | T44 | Transthyretin | / | 0.514 | |
| 1kgj | FL8 | Transthyretin | / | 0.488 | |
| 1guf | NDP | Enoyl-[acyl-carrier-protein] reductase 1, mitochondrial | 1.3.1.10 | 0.487 | |
| 2f4b | EHA | Peroxisome proliferator-activated receptor gamma | / | 0.487 | |
| 4d0l | 093 | Phosphatidylinositol 4-kinase beta | 2.7.1.67 | 0.478 | |
| 2hwr | DRD | Peroxisome proliferator-activated receptor gamma | / | 0.476 | |
| 2oor | NAD | NAD(P) transhydrogenase subunit alpha part 1 | 1.6.1.2 | 0.476 | |
| 2vn0 | TDZ | Cytochrome P450 2C8 | / | 0.475 | |
| 4ubs | DIF | Pentalenic acid synthase | 1.14.15.11 | 0.473 | |
| 4xiw | AZM | Carbonic anhydrase, alpha type | / | 0.473 | |
| 3slk | NDP | Polyketide synthase extender module 2 | / | 0.472 | |
| 2q59 | 240 | Peroxisome proliferator-activated receptor gamma | / | 0.471 | |
| 1fm6 | BRL | Peroxisome proliferator-activated receptor gamma | / | 0.467 | |
| 1fm9 | 570 | Peroxisome proliferator-activated receptor gamma | / | 0.465 | |
| 4bii | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.465 | |
| 4aw3 | MYV | Mycinamicin IV hydroxylase/epoxidase | / | 0.464 | |
| 4jbi | NDP | Alcohol dehydrogenase (Zinc) | / | 0.464 | |
| 1wvg | APR | CDP-glucose 4,6-dehydratase | 4.2.1.45 | 0.463 | |
| 5br4 | NAD | Lactaldehyde reductase | 1.1.1.77 | 0.463 | |
| 4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.460 | |
| 5itz | LOC | Tubulin beta-2B chain | / | 0.460 | |
| 1fm4 | DXC | Major pollen allergen Bet v 1-L | / | 0.458 | |
| 1k6c | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.458 | |
| 1mab | ATP | ATP synthase subunit alpha, mitochondrial | / | 0.457 | |
| 2zbz | VDX | Vitamin D3 dihydroxylase | / | 0.457 | |
| 4bgi | I4I | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.456 | |
| 4ryv | ZEA | Protein LlR18A | / | 0.456 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.456 | |
| 4xye | NAD | Formate dehydrogenase | / | 0.456 | |
| 2nru | T12 | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.455 | |
| 3czr | 3CZ | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.455 | |
| 3t2z | FAD | Sulfide-quinone reductase | / | 0.455 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.455 | |
| 4b8z | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.455 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.455 | |
| 1eio | GCH | Gastrotropin | / | 0.454 | |
| 3sp6 | IL2 | Peroxisome proliferator-activated receptor alpha | / | 0.454 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.454 | |
| 3vt9 | YI4 | Vitamin D3 receptor | / | 0.454 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.454 | |
| 2nom | DUT | Poly(A) polymerase, putative | / | 0.453 | |
| 2q5p | 241 | Peroxisome proliferator-activated receptor gamma | / | 0.453 | |
| 4r20 | AER | Cytochrome P450 family 17 polypeptide 2 | / | 0.453 | |
| 3il1 | B5D | Glutamate receptor 2 | / | 0.452 | |
| 4a1z | ADP | Kinesin-like protein KIF11 | / | 0.452 | |
| 1knu | YPA | Peroxisome proliferator-activated receptor gamma | / | 0.451 | |
| 1nvt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.451 | |
| 2qo5 | CHD | Fatty acid-binding protein 10-A, liver basic | / | 0.451 | |
| 3aba | FLI | Cytochrome P450 | / | 0.451 | |
| 4c4i | X20 | Dual specificity protein kinase TTK | 2.7.12.1 | 0.451 | |
| 1kzj | CB3 | Thymidylate synthase | / | 0.450 | |
| 4xuh | SFI | Peroxisome proliferator-activated receptor gamma | / | 0.450 | |
| 1ppj | SMA | Cytochrome b | / | 0.449 | |
| 2nnh | REA | Cytochrome P450 2C8 | / | 0.449 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.449 | |
| 2yyl | FAD | 4-hydroxyphenylacetate 3-monooxygenase oxygenase component | 1.14.14.9 | 0.449 | |
| 3zuy | TCH | Transporter | / | 0.449 | |
| 4xld | BRL | Peroxisome proliferator-activated receptor gamma | / | 0.449 | |
| 5fm7 | ADP | RuvB-like helicase | / | 0.449 | |
| 1pkf | EPD | Epothilone C/D epoxidase | 1.14 | 0.448 | |
| 2w9s | TOP | Dihydrofolate reductase type 1 from Tn4003 | 1.5.1.3 | 0.448 | |
| 3d84 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.448 | |
| 3kb1 | ADP | Iron-sulfur cluster carrier protein | / | 0.448 | |
| 3hcr | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.447 | |
| 3inm | NDP | Isocitrate dehydrogenase [NADP] cytoplasmic | 1.1.1.42 | 0.447 | |
| 4b7d | QLE | Cytochrome P450 monooxygenase PikC | / | 0.447 | |
| 4c4f | 7CE | Dual specificity protein kinase TTK | 2.7.12.1 | 0.447 | |
| 4o70 | 1QK | Bromodomain-containing protein 4 | / | 0.447 | |
| 5kj1 | PFB | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.447 | |
| 1eup | ASD | 6-deoxyerythronolide B hydroxylase | / | 0.446 | |
| 3gcn | TYR_GLN_PHE | Serine endoprotease DegS | 3.4.21.107 | 0.446 | |
| 4wri | OKA | Okadaic acid binding protein 2-alpha | / | 0.446 | |
| 5cds | PFB | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.446 | |
| 5ify | UMP | Glucose-1-phosphate thymidylyltransferase | / | 0.446 | |
| 1fcb | FMN | Cytochrome b2, mitochondrial | 1.1.2.3 | 0.445 | |
| 2ath | 3EA | Peroxisome proliferator-activated receptor gamma | / | 0.445 | |
| 2gr1 | FAD | Ferredoxin reductase | / | 0.445 | |
| 2j14 | GNI | Peroxisome proliferator-activated receptor delta | / | 0.445 | |
| 2z3u | CRR | Cytochrome P450 | / | 0.445 | |
| 3flk | NAI | Tartrate dehydrogenase/decarboxylase | 1.1.1.93 | 0.445 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.445 | |
| 4xum | IMN | Peroxisome proliferator-activated receptor gamma | / | 0.445 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.444 | |
| 1ppj | ANY | Cytochrome b | / | 0.444 | |
| 3h0a | D30 | Peroxisome proliferator-activated receptor gamma | / | 0.444 | |
| 3jqp | A2P | Ferredoxin--NADP reductase, apicoplast | / | 0.444 | |
| 3kpk | FAD | Sulfide-quinone reductase | / | 0.444 | |
| 4h0x | NAD | Iota toxin component Ia | / | 0.444 | |
| 4xgx | ADP | FAD:protein FMN transferase | / | 0.444 | |
| 2i4p | DRH | Peroxisome proliferator-activated receptor gamma | / | 0.443 | |
| 2jn3 | JN3 | Fatty acid-binding protein, liver | / | 0.443 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.443 | |
| 2qae | FAD | Dihydrolipoyl dehydrogenase | 1.8.1.4 | 0.443 | |
| 2vxo | XMP | GMP synthase [glutamine-hydrolyzing] | 6.3.5.2 | 0.443 | |
| 3poz | 03P | Epidermal growth factor receptor | 2.7.10.1 | 0.443 | |
| 2q61 | SF1 | Peroxisome proliferator-activated receptor gamma | / | 0.442 | |
| 3i59 | N6S | CRP-like cAMP-activated global transcriptional regulator | / | 0.442 | |
| 3uoz | NAP | 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase | 1.14.13.160 | 0.442 | |
| 4a6c | QG9 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 3v9v | 21L | Peroxisome proliferator-activated receptor gamma | / | 0.441 | |
| 4a33 | MYA | Glycylpeptide N-tetradecanoyltransferase | / | 0.441 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.441 | |
| 4nxu | ADP | Mitochondrial dynamics protein MID51 | / | 0.441 | |
| 2b9w | FAD | Putative aminooxidase | / | 0.440 | |
| 2igo | FAD | Pyranose 2-oxidase | / | 0.440 | |
| 3tk3 | CPZ | Cytochrome P450 2B4 | 1.14.14.1 | 0.440 | |
| 3zux | TCH | Transporter | / | 0.440 |