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 |
|---|---|---|---|
| 2bgi | FAD | NADPH:ferredoxin reductase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2bgi | FAD | NADPH:ferredoxin reductase | / | 1.000 | |
| 4fk8 | FAD | Ferredoxin--NADP reductase | / | 0.698 | |
| 1a8p | FAD | Ferredoxin--NADP reductase | / | 0.656 | |
| 2vnk | FAD | NADPH:ferredoxin reductase | / | 0.641 | |
| 3crz | FAD | Ferredoxin--NADP+ reductase | / | 0.636 | |
| 2vnj | FAD | NADPH:ferredoxin reductase | / | 0.633 | |
| 4b4d | FAD | Ferredoxin-NADP reductase | / | 0.602 | |
| 2qdx | FAD | Ferredoxin--NADP+ reductase | / | 0.601 | |
| 4k1x | FAD | NADPH:ferredoxin reductase | / | 0.531 | |
| 3fpk | FAD | Ferredoxin-NADP reductase | / | 0.482 | |
| 3tjs | D0R | Cytochrome P450 3A4 | / | 0.471 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.467 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.464 | |
| 3qt6 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.464 | |
| 4l4d | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.464 | |
| 2z3u | CRR | Cytochrome P450 | / | 0.462 | |
| 1cqx | FAD | Flavohemoprotein | / | 0.461 | |
| 1o76 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.458 | |
| 3v2u | ATP | Protein GAL3 | / | 0.458 | |
| 3tnl | NAD | Shikimate dehydrogenase (NADP(+)) | / | 0.457 | |
| 2x7h | PFN | Prostaglandin reductase 3 | 1 | 0.456 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.456 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.454 | |
| 3muo | ZPR | Prolyl endopeptidase | / | 0.453 | |
| 3s79 | ASD | Aromatase | 1.14.14.14 | 0.453 | |
| 3wrj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.453 | |
| 1a59 | COA | 2-methylcitrate synthase | / | 0.452 | |
| 1adf | TAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.452 | |
| 1fxs | NAP | GDP-L-fucose synthase | / | 0.452 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.452 | |
| 3r6s | CMP | CRP-like cAMP-activated global transcriptional regulator | / | 0.452 | |
| 4pl0 | ANP | Microcin-J25 export ATP-binding/permease protein McjD | / | 0.452 | |
| 3f03 | FMN | Pentaerythritol tetranitrate reductase | / | 0.450 | |
| 1qrp | HH0 | Pepsin A-4 | 3.4.23.1 | 0.449 | |
| 3atz | FMN | Prostaglandin F2a synthase | / | 0.449 | |
| 3wrh | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.449 | |
| 5cts | CMC | Citrate synthase, mitochondrial | 2.3.3.1 | 0.449 | |
| 1ay0 | TPP | Transketolase 1 | 2.2.1.1 | 0.448 | |
| 1h85 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.448 | |
| 4dpt | AGS | Mevalonate diphosphate decarboxylase | / | 0.448 | |
| 4dx7 | DM2 | Multidrug efflux pump subunit AcrB | / | 0.448 | |
| 1fdr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.447 | |
| 3k3b | ADP | Kinesin-like protein KIF11 | / | 0.447 | |
| 3gfb | NAD | L-threonine 3-dehydrogenase | / | 0.446 | |
| 3p74 | FMN | Pentaerythritol tetranitrate reductase | / | 0.446 | |
| 3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.446 | |
| 1bsv | NDP | GDP-L-fucose synthase | / | 0.445 | |
| 1o0s | NAI | NAD-dependent malic enzyme, mitochondrial | 1.1.1.38 | 0.445 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.445 | |
| 3p84 | FMN | Pentaerythritol tetranitrate reductase | / | 0.445 | |
| 4zla | BES | Cytosol aminopeptidase | 3.4.11.1 | 0.445 | |
| 2dvl | FAD | Acyl-CoA dehydrogenase | / | 0.444 | |
| 4eji | 0QA | Cytochrome P450 2A13 | 1.14.14.1 | 0.444 | |
| 1aj2 | 2PH | Dihydropteroate synthase | / | 0.443 | |
| 1ib0 | FAD | NADH-cytochrome b5 reductase 3 | 1.6.2.2 | 0.443 | |
| 2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.443 | |
| 1a9y | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.442 | |
| 1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.442 | |
| 3p82 | FMN | Pentaerythritol tetranitrate reductase | / | 0.442 | |
| 4eki | 0QK | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 2.1.1.43 | 0.442 | |
| 1h51 | FMN | Pentaerythritol tetranitrate reductase | / | 0.441 | |
| 1ja1 | FAD | NADPH--cytochrome P450 reductase | / | 0.441 | |
| 1uda | UFG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.441 | |
| 2vwq | NAP | Glucose 1-dehydrogenase | / | 0.441 | |
| 2zjm | F1M | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 3rq6 | APR | ADP-dependent (S)-NAD(P)H-hydrate dehydratase | / | 0.441 | |
| 4bfw | ZVW | Pantothenate kinase | 2.7.1.33 | 0.441 | |
| 4ckc | SAH | mRNA-capping enzyme catalytic subunit | 2.1.1.56 | 0.441 | |
| 4dpu | AGS | Mevalonate diphosphate decarboxylase | / | 0.441 | |
| 4dti | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.441 | |
| 4k9u | 5AW | Cytochrome P450 3A4 | / | 0.441 | |
| 4nvk | 2NY | Peroxidase | / | 0.441 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.440 | |
| 2cy0 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.440 | |
| 2iko | 7IG | Renin | 3.4.23.15 | 0.440 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.440 | |
| 3tri | NAP | Pyrroline-5-carboxylate reductase | / | 0.440 | |
| 4qem | HC4 | Phospholipase A2 VRV-PL-VIIIa | / | 0.440 |