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 |
|---|---|---|---|
| 4ajp | 88N | L-lactate dehydrogenase A chain | 1.1.1.27 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4ajp | 88N | L-lactate dehydrogenase A chain | 1.1.1.27 | 1.000 | |
| 4ajo | 88N | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.619 | |
| 4al4 | W7E | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.607 | |
| 4l4s | NAI | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.574 | |
| 2hjr | APR | Malate dehydrogenase, adjacent gene encodes predicted lactate dehydrogenase | / | 0.529 | |
| 4nd2 | A3D | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.522 | |
| 5mdh | NAD | Malate dehydrogenase, cytoplasmic | 1.1.1.37 | 0.522 | |
| 1pzg | A3D | Lactate dehydrogenase | / | 0.515 | |
| 1sow | NAD | L-lactate dehydrogenase | 1.1.1.27 | 0.514 | |
| 1pzf | A3D | Lactate dehydrogenase | / | 0.513 | |
| 4wlu | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.510 | |
| 1hyh | NAD | L-2-hydroxyisocaproate dehydrogenase | / | 0.505 | |
| 4wlv | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.502 | |
| 2jhf | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.500 | |
| 1t2d | NAD | L-lactate dehydrogenase | 1.1.1.27 | 0.494 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.494 | |
| 4nd4 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.493 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.491 | |
| 2a92 | NAI | L-lactate dehydrogenase | / | 0.488 | |
| 2fn7 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.485 | |
| 5a1t | NAI | L-lactate dehydrogenase | / | 0.477 | |
| 1lde | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.469 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.468 | |
| 1nq5 | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.466 | |
| 4c4o | NAD | SADH | / | 0.466 | |
| 1adc | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.465 | |
| 4dwv | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.464 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.464 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.463 | |
| 1mgo | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.463 | |
| 4wlo | NAI | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.462 | |
| 3ggo | NAI | Prephenate dehydrogenase | / | 0.461 | |
| 1ie3 | NAD | Malate dehydrogenase | / | 0.459 | |
| 3cif | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.459 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.459 | |
| 4dl9 | NAD | S-(hydroxymethyl)glutathione dehydrogenase | / | 0.459 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.459 | |
| 1gyp | NAD | Glyceraldehyde-3-phosphate dehydrogenase, glycosomal | 1.2.1.12 | 0.458 | |
| 1adb | CND | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.456 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.455 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.455 | |
| 4nfh | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.454 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.453 | |
| 5cds | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.453 | |
| 4gkv | NAD | Alcohol dehydrogenase, propanol-preferring | 1.1.1.1 | 0.452 | |
| 4ng5 | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.452 | |
| 1h2b | NAJ | NAD-dependent alcohol dehydrogenase | / | 0.451 | |
| 1llu | NAD | Alcohol dehydrogenase | / | 0.451 | |
| 1nqo | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.451 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.450 | |
| 4wji | NAP | Putative cyclohexadienyl dehydrogenase and ADH prephenate dehydrogenase | / | 0.450 | |
| 1r37 | NAD | NAD-dependent alcohol dehydrogenase | 1.1.1.1 | 0.449 | |
| 1u3v | NAD | Alcohol dehydrogenase 1B | 1.1.1.1 | 0.449 | |
| 2ome | NAD | C-terminal-binding protein 2 | / | 0.449 | |
| 4p8r | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.449 | |
| 4cr8 | NAD | N-acylmannosamine 1-dehydrogenase | 1.1.1.233 | 0.448 | |
| 4gl4 | NAI | Alcohol dehydrogenase class-3 | / | 0.448 | |
| 2oxi | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.446 | |
| 3ksd | NAD | Glyceraldehyde-3-phosphate dehydrogenase 1 | / | 0.446 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.445 | |
| 1bxk | NAD | dTDP-glucose 4,6-dehydratase 2 | / | 0.444 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.444 | |
| 3te5 | NAI | 5'-AMP-activated protein kinase subunit gamma | / | 0.443 | |
| 1hzz | NAD | NAD(P) transhydrogenase subunit alpha part 1 | 1.6.1.2 | 0.442 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.442 | |
| 1yba | NAD | D-3-phosphoglycerate dehydrogenase | 1.1.1.95 | 0.441 | |
| 2gsd | NAD | Formate dehydrogenase | / | 0.441 | |
| 3abi | NAD | Uncharacterized protein | / | 0.441 | |
| 3cmc | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.441 | |
| 3ojl | NAD | Cap5O | / | 0.441 | |
| 4lcj | NAD | C-terminal-binding protein 2 | / | 0.441 | |
| 1ht0 | NAD | Alcohol dehydrogenase 1C | 1.1.1.1 | 0.440 |