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 |
|---|---|---|---|
| 2op9 | WR1 | Orf1ab polyprotein |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2op9 | WR1 | Orf1ab polyprotein | / | 1.000 | |
| 3v3m | 0EN | Replicase polyprotein 1a | 3.4.19.12 | 0.568 | |
| 2gz7 | D3F | Orf1a polyprotein | / | 0.549 | |
| 2qiq | CYV | Replicase polyprotein 1ab | / | 0.521 | |
| 2gz8 | F3F | Orf1a polyprotein | / | 0.496 | |
| 4eu8 | COA | Succinyl-CoA:acetate CoA-transferase | / | 0.492 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.487 | |
| 1u8v | FAD | 4-hydroxybutyryl-CoA dehydratase/vinylacetyl-CoA-Delta-isomerase | / | 0.473 | |
| 1jol | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 1mjb | ACO | Histone acetyltransferase ESA1 | / | 0.464 | |
| 1k6c | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.461 | |
| 2znp | K55 | Peroxisome proliferator-activated receptor delta | / | 0.461 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.459 | |
| 1mp0 | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.457 | |
| 2a94 | AP0 | L-lactate dehydrogenase | 1.1.1.27 | 0.456 | |
| 1lbc | CYZ | Glutamate receptor 2 | / | 0.453 | |
| 2xvi | FAD | Putative flavin-containing monooxygenase | / | 0.452 | |
| 5dp2 | NAP | CurF | / | 0.452 | |
| 1o9b | NAI | Quinate/shikimate dehydrogenase | / | 0.451 | |
| 2qbu | SAH | Precorrin-2 methyltransferase | / | 0.451 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.451 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.449 | |
| 1e3e | NAI | Alcohol dehydrogenase 4 | 1.1.1.1 | 0.449 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.449 | |
| 2znq | 401 | Peroxisome proliferator-activated receptor delta | / | 0.449 | |
| 3r9u | FAD | Thioredoxin reductase | / | 0.448 | |
| 1egd | FAD | Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.7 | 0.446 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.446 | |
| 3i5z | Z48 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.446 | |
| 4l7f | 1V5 | Mitogen-activated protein kinase 8 | 2.7.11.24 | 0.446 | |
| 3i59 | N6R | CRP-like cAMP-activated global transcriptional regulator | / | 0.445 | |
| 2eba | FAD | Putative glutaryl-CoA dehydrogenase | / | 0.444 | |
| 2xui | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 3q43 | D66 | M1 family aminopeptidase | 3.4.11 | 0.444 | |
| 3zw9 | NAD | Peroxisomal bifunctional enzyme | 1.1.1.35 | 0.444 | |
| 4lrz | ADP | PEP-dependent dihydroxyacetone kinase, ADP-binding subunit DhaL | 2.7 | 0.444 | |
| 4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.443 | |
| 4g7g | VFV | Lanosterol 14-alpha-demethylase | / | 0.443 | |
| 4hbm | 0Y7 | E3 ubiquitin-protein ligase Mdm2 | 6.3.2 | 0.443 | |
| 1mja | COA | Histone acetyltransferase ESA1 | / | 0.442 | |
| 1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.441 | |
| 2a5k | AZP | Replicase polyprotein 1ab | 3.4.22 | 0.441 | |
| 2cy0 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.441 | |
| 3qt6 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.441 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.441 | |
| 5jsc | FAD | Putative acyl-CoA dehydrogenase | / | 0.441 | |
| 1kkq | 471 | Peroxisome proliferator-activated receptor alpha | / | 0.440 | |
| 1kt8 | ILP | Branched-chain-amino-acid aminotransferase, mitochondrial | 2.6.1.42 | 0.440 | |
| 2ou2 | ACO | Histone acetyltransferase KAT5 | / | 0.440 | |
| 4iql | FMN | Enoyl-(Acyl-carrier-protein) reductase II | / | 0.440 |