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 |
|---|---|---|---|
| 2hjr | APR | Malate dehydrogenase, adjacent gene encodes predicted lactate dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2hjr | APR | Malate dehydrogenase, adjacent gene encodes predicted lactate dehydrogenase | / | 1.000 | |
| 4wlv | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.592 | |
| 4nd4 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.589 | |
| 4wlu | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.587 | |
| 4nd2 | A3D | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.586 | |
| 1pzg | A3D | Lactate dehydrogenase | / | 0.574 | |
| 1sow | NAD | L-lactate dehydrogenase | 1.1.1.27 | 0.561 | |
| 2fn7 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.558 | |
| 4wlo | NAI | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.555 | |
| 1pzf | A3D | Lactate dehydrogenase | / | 0.545 | |
| 5a1t | NAI | L-lactate dehydrogenase | / | 0.545 | |
| 5mdh | NAD | Malate dehydrogenase, cytoplasmic | 1.1.1.37 | 0.540 | |
| 1t2d | NAD | L-lactate dehydrogenase | 1.1.1.27 | 0.537 | |
| 4ajp | 88N | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.528 | |
| 1ie3 | NAD | Malate dehydrogenase | / | 0.525 | |
| 2a92 | NAI | L-lactate dehydrogenase | / | 0.522 | |
| 4ajo | 88N | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.503 | |
| 4l4s | NAI | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.494 | |
| 4al4 | W7E | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.491 | |
| 4okn | NAI | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.480 | |
| 4gkv | NAD | Alcohol dehydrogenase, propanol-preferring | 1.1.1.1 | 0.478 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.475 | |
| 1hyh | NAD | L-2-hydroxyisocaproate dehydrogenase | / | 0.473 | |
| 1llu | NAD | Alcohol dehydrogenase | / | 0.465 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.464 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.460 | |
| 1adc | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.459 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.458 | |
| 4dlb | NAD | S-(hydroxymethyl)glutathione dehydrogenase | / | 0.458 | |
| 1adb | CND | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.457 | |
| 2gsd | NAD | Formate dehydrogenase | / | 0.457 | |
| 4jji | NAD | Alcohol dehydrogenase class-3 | / | 0.457 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.456 | |
| 4dl9 | NAD | S-(hydroxymethyl)glutathione dehydrogenase | / | 0.456 | |
| 2vhv | NAI | Alanine dehydrogenase | 1.4.1.1 | 0.455 | |
| 2jhf | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.454 | |
| 1hzz | NAD | NAD(P) transhydrogenase subunit alpha part 1 | 1.6.1.2 | 0.453 | |
| 1h2b | NAJ | NAD-dependent alcohol dehydrogenase | / | 0.452 | |
| 4cr8 | NAD | N-acylmannosamine 1-dehydrogenase | 1.1.1.233 | 0.451 | |
| 3doc | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.450 | |
| 4w6z | 8ID | Alcohol dehydrogenase 1 | 1.1.1.1 | 0.450 | |
| 2vhz | NAI | Alanine dehydrogenase | 1.4.1.1 | 0.448 | |
| 1nq5 | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.447 | |
| 5cds | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.447 | |
| 1f8f | NAD | Benzyl alcohol dehydrogenase | / | 0.446 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.446 | |
| 1lde | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.446 | |
| 1ptj | SND | NAD(P) transhydrogenase subunit alpha part 1 | 1.6.1.2 | 0.446 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.446 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.446 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.446 | |
| 1mgo | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.445 | |
| 4lcj | NAD | C-terminal-binding protein 2 | / | 0.444 | |
| 2vhx | NAD | Alanine dehydrogenase | 1.4.1.1 | 0.443 | |
| 3ggo | NAI | Prephenate dehydrogenase | / | 0.443 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.443 | |
| 4gl4 | NAI | Alcohol dehydrogenase class-3 | / | 0.442 | |
| 5f8e | SAH | Possible transcriptional regulatory protein | / | 0.442 | |
| 2oxi | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.441 | |
| 4dwv | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.441 | |
| 1xkv | ATP | Phosphoenolpyruvate carboxykinase (ATP) | / | 0.440 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.440 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.440 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.440 |