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 |
|---|---|---|---|
| 4k6f | NAP | Putative Acetoacetyl-CoA reductase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4k6f | NAP | Putative Acetoacetyl-CoA reductase | / | 1.000 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.587 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.570 | |
| 4n5n | NAP | Acetoacetyl-CoA reductase | 1.1.1.36 | 0.559 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.550 | |
| 4fiz | CUE | 17beta-hydroxysteroid dehydrogenase | / | 0.540 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.533 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.527 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.516 | |
| 5b1y | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.516 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.515 | |
| 4qec | NAP | ElxO | / | 0.506 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.499 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.495 | |
| 3sj7 | NDP | 3-oxoacyl-(Acyl-carrier-protein) reductase, putative | / | 0.494 | |
| 1u7t | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.491 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.489 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.489 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.489 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.487 | |
| 3ruc | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.482 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.479 | |
| 3orf | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.479 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.476 | |
| 1bvr | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.475 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.475 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.470 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.470 | |
| 1hdc | CBO | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.469 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.468 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.466 | |
| 1dhr | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.465 | |
| 1kvs | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.465 | |
| 4bii | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.464 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.464 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.462 | |
| 2fr0 | NDP | 6-deoxyerythronolide-B synthase EryA1, modules 1 and 2 | / | 0.461 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.461 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.461 | |
| 1fdt | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.460 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.459 | |
| 4rlh | 0WE | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.458 | |
| 4i1i | NAD | Malate dehydrogenase | / | 0.457 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.456 | |
| 4bgi | I4I | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.456 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.456 | |
| 3bk2 | U5P | Ribonuclease J | / | 0.455 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.455 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.454 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.454 | |
| 3ruh | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.454 | |
| 1vyr | FMN | Pentaerythritol tetranitrate reductase | / | 0.453 | |
| 2b4q | NAP | Rhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.453 | |
| 3o03 | NAP | Dehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) | / | 0.453 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.452 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.452 | |
| 5ein | NAP | [LysW]-L-2-aminoadipate 6-phosphate reductase | / | 0.451 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.450 | |
| 1qbg | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.450 | |
| 1udc | UFM | UDP-glucose 4-epimerase | 5.1.3.2 | 0.450 | |
| 2a94 | AP0 | L-lactate dehydrogenase | 1.1.1.27 | 0.450 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.450 | |
| 4bge | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.450 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.449 | |
| 4m49 | 22Y | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.449 | |
| 2g1n | 1IG | Renin | 3.4.23.15 | 0.448 | |
| 4ure | 1PS | Cyclohexanol dehydrogenase | / | 0.448 | |
| 4uwm | FMN | 3,6-diketocamphane 1,6 monooxygenase | 1.14.13 | 0.448 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.448 | |
| 1x1b | SAH | C-20 methyltransferase | / | 0.447 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.447 | |
| 3f03 | FMN | Pentaerythritol tetranitrate reductase | / | 0.447 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.447 | |
| 1lrj | UD1 | UDP-glucose 4-epimerase | 5.1.3.2 | 0.446 | |
| 2c29 | NAP | Dihydroflavonol 4-reductase | / | 0.446 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.446 | |
| 4qed | NAP | ElxO | / | 0.446 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.445 | |
| 4oqy | NDP | (S)-imine reductase | / | 0.445 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.444 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.443 | |
| 3gvi | ADP | Malate dehydrogenase | / | 0.442 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.442 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.441 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.441 | |
| 1ra3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 3lu1 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.441 | |
| 3ruf | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.441 | |
| 3zhb | NAP | Putative dehydrogenase | / | 0.441 | |
| 4cr8 | NAD | N-acylmannosamine 1-dehydrogenase | 1.1.1.233 | 0.441 | |
| 2j2p | SC2 | Ficolin-2 | / | 0.440 | |
| 3aut | NAI | Glucose 1-dehydrogenase 4 | 1.1.1.47 | 0.440 | |
| 3gvh | NAD | Malate dehydrogenase | / | 0.440 | |
| 4l4x | NDP | AmphI | / | 0.440 | |
| 4u7w | NDP | MxaA | / | 0.440 |