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 |
|---|---|---|---|
| 4ajo | 88N | L-lactate dehydrogenase A chain | 1.1.1.27 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4ajo | 88N | L-lactate dehydrogenase A chain | 1.1.1.27 | 1.000 | |
| 4ajp | 88N | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.665 | |
| 4al4 | W7E | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.631 | |
| 4okn | NAI | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.591 | |
| 4l4s | NAI | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.577 | |
| 1pzf | A3D | Lactate dehydrogenase | / | 0.550 | |
| 4nd2 | A3D | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.550 | |
| 5mdh | NAD | Malate dehydrogenase, cytoplasmic | 1.1.1.37 | 0.548 | |
| 4wlv | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.542 | |
| 4nd4 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.540 | |
| 1pzg | A3D | Lactate dehydrogenase | / | 0.537 | |
| 1t2d | NAD | L-lactate dehydrogenase | 1.1.1.27 | 0.536 | |
| 4wlu | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.532 | |
| 2hjr | APR | Malate dehydrogenase, adjacent gene encodes predicted lactate dehydrogenase | / | 0.526 | |
| 2fn7 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.522 | |
| 1hyh | NAD | L-2-hydroxyisocaproate dehydrogenase | / | 0.520 | |
| 1ie3 | NAD | Malate dehydrogenase | / | 0.516 | |
| 1sow | NAD | L-lactate dehydrogenase | 1.1.1.27 | 0.513 | |
| 4lcj | NAD | C-terminal-binding protein 2 | / | 0.508 | |
| 5a1t | NAI | L-lactate dehydrogenase | / | 0.508 | |
| 2a92 | NAI | L-lactate dehydrogenase | / | 0.503 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.482 | |
| 2jhf | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.478 | |
| 2vhv | NAI | Alanine dehydrogenase | 1.4.1.1 | 0.478 | |
| 2ome | NAD | C-terminal-binding protein 2 | / | 0.474 | |
| 1r37 | NAD | NAD-dependent alcohol dehydrogenase | 1.1.1.1 | 0.472 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.472 | |
| 2dvm | NAD | 439aa long hypothetical malate oxidoreductase (NAD) [malic enzyme] | / | 0.470 | |
| 2vhz | NAI | Alanine dehydrogenase | 1.4.1.1 | 0.470 | |
| 1hzz | NAD | NAD(P) transhydrogenase subunit alpha part 1 | 1.6.1.2 | 0.468 | |
| 4c4o | NAD | SADH | / | 0.468 | |
| 2oxi | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.467 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.466 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.465 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.464 | |
| 4dwv | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.464 | |
| 4ng5 | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.464 | |
| 1adb | CND | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.462 | |
| 1nqo | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.461 | |
| 2g5c | NAD | Prephenate dehydrogenase | / | 0.460 | |
| 3lu1 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.460 | |
| 4gkv | NAD | Alcohol dehydrogenase, propanol-preferring | 1.1.1.1 | 0.460 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.459 | |
| 2gsd | NAD | Formate dehydrogenase | / | 0.459 | |
| 4cr8 | NAD | N-acylmannosamine 1-dehydrogenase | 1.1.1.233 | 0.459 | |
| 4dlb | NAD | S-(hydroxymethyl)glutathione dehydrogenase | / | 0.459 | |
| 1h2b | NAJ | NAD-dependent alcohol dehydrogenase | / | 0.458 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.458 | |
| 1adc | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.457 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.457 | |
| 1agn | NAD | Alcohol dehydrogenase class 4 mu/sigma chain | 1.1.1.1 | 0.456 | |
| 3ggo | NAI | Prephenate dehydrogenase | / | 0.456 | |
| 4ajj | 88R | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.456 | |
| 5cds | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.456 | |
| 3ksd | NAD | Glyceraldehyde-3-phosphate dehydrogenase 1 | / | 0.455 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.454 | |
| 4ajn | 88V | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.454 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.454 | |
| 1mgo | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.453 | |
| 1yba | NAD | D-3-phosphoglycerate dehydrogenase | 1.1.1.95 | 0.453 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.453 | |
| 1npt | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.452 | |
| 2fsv | NAD | NAD(P) transhydrogenase subunit alpha part 1 | 1.6.1.2 | 0.451 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.451 | |
| 2dbr | NAP | Glyoxylate reductase | 1.1.1.26 | 0.450 | |
| 2oor | NAD | NAD(P) transhydrogenase subunit alpha part 1 | 1.6.1.2 | 0.450 | |
| 4xye | NAD | Formate dehydrogenase | / | 0.450 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.450 | |
| 2ohx | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.449 | |
| 1nq5 | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.448 | |
| 1ptj | SND | NAD(P) transhydrogenase subunit alpha part 1 | 1.6.1.2 | 0.448 | |
| 2vhx | NAD | Alanine dehydrogenase | 1.4.1.1 | 0.448 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.448 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.448 | |
| 3abi | NAD | Uncharacterized protein | / | 0.448 | |
| 1vjt | NAD | Alpha-glucosidase, putative | / | 0.447 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.447 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.447 | |
| 1ht0 | NAD | Alcohol dehydrogenase 1C | 1.1.1.1 | 0.446 | |
| 1lde | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.446 | |
| 4nfh | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.446 | |
| 1u3v | NAD | Alcohol dehydrogenase 1B | 1.1.1.1 | 0.445 | |
| 1x15 | NAD | NAD(P) transhydrogenase subunit alpha | 1.6.1.2 | 0.445 | |
| 3l4s | NAD | Glyceraldehyde-3-phosphate dehydrogenase 1 | / | 0.445 | |
| 4ien | COA | Putative acyl-CoA hydrolase | / | 0.445 | |
| 1axe | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.444 | |
| 2ooy | ATP | 5'-AMP-activated protein kinase subunit gamma | / | 0.444 | |
| 1nqa | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.443 | |
| 1ma0 | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.442 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.442 | |
| 3w6u | NAP | 6-phosphogluconate dehydrogenase, NAD-binding protein | / | 0.441 | |
| 4gl4 | NAI | Alcohol dehydrogenase class-3 | / | 0.441 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.440 | |
| 1f8f | NAD | Benzyl alcohol dehydrogenase | / | 0.440 | |
| 2fze | APR | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.440 | |
| 3doc | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.440 | |
| 4wlo | NAI | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.440 |