sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Binding Sites 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
Binding Sites are considered as similar when the similarity value is greater than 0.44
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 4oqy | NDP | (S)-imine reductase |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 4oqy | NDP | (S)-imine reductase | / | 1.000 | |
| 4g3j | VNT | Lanosterol 14-alpha-demethylase | / | 0.522 | |
| 3gw9 | VNI | Lanosterol 14-alpha-demethylase | / | 0.511 | |
| 2ktd | PUC | Prostaglandin-H2 D-isomerase | 5.3.99.2 | 0.496 | |
| 4g7g | VFV | Lanosterol 14-alpha-demethylase | / | 0.491 | |
| 2he5 | NDP | Aldo-keto reductase family 1 member C21 | 1.1.1 | 0.489 | |
| 1jio | DEB | 6-deoxyerythronolide B hydroxylase | / | 0.488 | |
| 1jip | KTN | 6-deoxyerythronolide B hydroxylase | / | 0.481 | |
| 2y4g | TIR | TamL | / | 0.478 | |
| 2cy0 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.477 | |
| 1nvt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.476 | |
| 4egb | NAD | dTDP-glucose 4,6-dehydratase | / | 0.476 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.473 | |
| 4ktl | 1CQ | Cytochrome P450 | / | 0.473 | |
| 5hs1 | VOR | Lanosterol 14-alpha demethylase | / | 0.473 | |
| 1eup | ASD | 6-deoxyerythronolide B hydroxylase | / | 0.472 | |
| 2hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.471 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.470 | |
| 2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.470 | |
| 4ejm | NAP | Putative zinc-binding dehydrogenase | / | 0.470 | |
| 1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.468 | |
| 4hbg | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.468 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.467 | |
| 1fmj | RTL | Retinol dehydratase | / | 0.466 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.466 | |
| 2f1k | NAP | Prephenate dehydrogenase | / | 0.465 | |
| 3tjz | GNP | ADP-ribosylation factor 1 | / | 0.464 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.463 | |
| 2ft9 | CHD | Fatty acid-binding protein 2, liver | / | 0.462 | |
| 2vn0 | TDZ | Cytochrome P450 2C8 | / | 0.462 | |
| 4lxj | LAN | Lanosterol 14-alpha demethylase | 1.14.13.70 | 0.462 | |
| 1pkf | EPD | Epothilone C/D epoxidase | 1.14 | 0.461 | |
| 2uxo | TAC | HTH-type transcriptional regulator TtgR | / | 0.461 | |
| 1fm4 | DXC | Major pollen allergen Bet v 1-L | / | 0.460 | |
| 2i4q | UA4 | Renin | 3.4.23.15 | 0.460 | |
| 2a92 | NAI | L-lactate dehydrogenase | / | 0.459 | |
| 3bc3 | OPT | Cathepsin L1 | 3.4.22.15 | 0.459 | |
| 3p3z | P3Z | Putative cytochrome P450 | / | 0.459 | |
| 2y3s | TIR | TamL | / | 0.458 | |
| 3g5h | YTT | Mycocyclosin synthase | 1.14.21.9 | 0.458 | |
| 4yxm | 2BA | DNA integrity scanning protein DisA | / | 0.458 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.457 | |
| 4ipw | 1G7 | Mycocyclosin synthase | 1.14.21.9 | 0.456 | |
| 4k6f | NAP | Putative Acetoacetyl-CoA reductase | / | 0.456 | |
| 2iyf | ERY | Oleandomycin glycosyltransferase | 2.4.1 | 0.455 | |
| 3hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.455 | |
| 4bkq | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.455 | |
| 4uym | VOR | 14-alpha sterol demethylase Cyp51B | / | 0.455 | |
| 2d29 | FAD | Acyl-CoA dehydrogenase | / | 0.454 | |
| 1f17 | NAI | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.453 | |
| 1ib0 | NAD | NADH-cytochrome b5 reductase 3 | 1.6.2.2 | 0.453 | |
| 1nup | NMN | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.453 | |
| 2iyp | NAP | 6-phosphogluconate dehydrogenase, decarboxylating | 1.1.1.44 | 0.453 | |
| 4q72 | FAD | Bifunctional protein PutA | / | 0.452 | |
| 1m13 | HYF | Nuclear receptor subfamily 1 group I member 2 | / | 0.451 | |
| 4g74 | FAD | Rotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial | 1.6.5.9 | 0.451 | |
| 2qo5 | CHD | Fatty acid-binding protein 10-A, liver basic | / | 0.450 | |
| 3tz3 | B36 | Acetyl-CoA carboxylase | / | 0.450 | |
| 4e5y | NDP | GDP-L-fucose synthase | 1.1.1.271 | 0.450 | |
| 1v9a | SAH | Uncharacterized protein | / | 0.449 | |
| 3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.449 | |
| 1nuu | NAD | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.448 | |
| 2jb4 | A14 | Isopenicillin N synthase | 1.21.3.1 | 0.448 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.448 | |
| 3h3f | NAI | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.448 | |
| 3sj7 | NDP | 3-oxoacyl-(Acyl-carrier-protein) reductase, putative | / | 0.448 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.448 | |
| 1h66 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.447 | |
| 1k6p | XN3 | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
| 2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.447 | |
| 3gob | HXX | DdmC | / | 0.447 | |
| 3ieu | GDP | GTPase Era | / | 0.446 | |
| 3r6s | CMP | CRP-like cAMP-activated global transcriptional regulator | / | 0.446 | |
| 3zhb | NAP | Putative dehydrogenase | / | 0.446 | |
| 4m83 | ERY | Oleandomycin glycosyltransferase | 2.4.1 | 0.446 | |
| 1fml | RTL | Retinol dehydratase | / | 0.445 | |
| 1kbo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.445 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3gfb | NAD | L-threonine 3-dehydrogenase | / | 0.445 | |
| 3ssn | MVI | Mycinamicin VI 2''-O-methyltransferase | / | 0.445 | |
| 4uwm | FMN | 3,6-diketocamphane 1,6 monooxygenase | 1.14.13 | 0.445 | |
| 1lsj | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.444 | |
| 2nnh | REA | Cytochrome P450 2C8 | / | 0.444 | |
| 3uyl | TYD | Probable NDP-rhamnosyltransferase | / | 0.444 | |
| 5a9s | NAP | Putative dehydrogenase | / | 0.444 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.443 | |
| 2gna | GDU | UDP-N-acetylglucosamine 4,6-dehydratase (inverting) | 4.2.1.115 | 0.443 | |
| 3gpc | COA | Acyl-coenzyme A synthetase ACSM2A, mitochondrial | 6.2.1.2 | 0.443 | |
| 4a81 | DXC | Major pollen allergen Bet v 1-A | / | 0.443 | |
| 4enh | FVX | Cholesterol 24-hydroxylase | / | 0.443 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.443 | |
| 4yao | FMN | NADPH--cytochrome P450 reductase | / | 0.443 | |
| 1gpd | NAD | Glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.12 | 0.442 | |
| 2gcg | NDP | Glyoxylate reductase/hydroxypyruvate reductase | 1.1.1.79 | 0.442 | |
| 2y3r | TRK | TamL | / | 0.442 | |
| 4fxy | 0W2 | Neurolysin, mitochondrial | 3.4.24.16 | 0.442 | |
| 4l9q | 9TP | Serum albumin | / | 0.442 | |
| 4z64 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.442 | |
| 1gg5 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.441 | |
| 1lbc | CYZ | Glutamate receptor 2 | / | 0.441 | |
| 2o4c | NAD | Erythronate-4-phosphate dehydrogenase | / | 0.441 | |
| 3oqf | S51 | Renin | 3.4.23.15 | 0.441 | |
| 4a83 | DXC | Major pollen allergen Bet v 1-A | / | 0.441 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 4l6g | CNL | 1,8-cineole 2-endo-monooxygenase | 1.14.13.156 | 0.441 | |
| 1hyg | NAP | L-2-hydroxycarboxylate dehydrogenase (NAD(P)(+)) | / | 0.440 | |
| 1qbg | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.440 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.440 | |
| 2iku | LIY | Renin | 3.4.23.15 | 0.440 | |
| 2q9f | C3S | Cholesterol 24-hydroxylase | / | 0.440 | |
| 2rcy | NAP | Pyrroline-5-carboxylate reductase | / | 0.440 | |
| 2vig | FAD | Short-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.1 | 0.440 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.440 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 4ips | 1G4 | Mycocyclosin synthase | 1.14.21.9 | 0.440 | |
| 4v2g | ITC | Tetracycline repressor protein class D | / | 0.440 |