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 |
|---|---|---|---|
| 2yy7 | NAD | L-threonine dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2yy7 | NAD | L-threonine dehydrogenase | / | 1.000 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.573 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.573 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.540 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.529 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.504 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.502 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.498 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.496 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.491 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.491 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.491 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.488 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.485 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.485 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.484 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.483 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.481 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.481 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.480 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.479 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.479 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.475 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.475 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.474 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.474 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.473 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.473 | |
| 4ej0 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.473 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.473 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.471 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.471 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.469 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.467 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.466 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.465 | |
| 1iy8 | NAD | Levodione reductase | / | 0.465 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.464 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.464 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.464 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.464 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.463 | |
| 3ajr | NAD | NDP-sugar epimerase | / | 0.462 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.462 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.462 | |
| 4b8w | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.462 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.462 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.461 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.461 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.461 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.461 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.461 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.460 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.459 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.459 | |
| 1sny | NAP | LD36273p | / | 0.459 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.459 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.458 | |
| 4cr8 | NAD | N-acylmannosamine 1-dehydrogenase | 1.1.1.233 | 0.458 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.458 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.457 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.457 | |
| 4qec | NAP | ElxO | / | 0.456 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.456 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.455 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.455 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.454 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.453 | |
| 1u2d | NAD | NAD(P) transhydrogenase subunit alpha part 1 | 1.6.1.2 | 0.453 | |
| 4b8z | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.453 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.452 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.450 | |
| 1ptj | SND | NAD(P) transhydrogenase subunit alpha part 1 | 1.6.1.2 | 0.449 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.449 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.449 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.448 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.448 | |
| 3sju | NDP | Keto reductase | / | 0.448 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.448 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.447 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.447 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.446 | |
| 2x86 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.446 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.446 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.446 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.446 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.445 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.445 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.444 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.444 | |
| 1hzz | NAD | NAD(P) transhydrogenase subunit alpha part 1 | 1.6.1.2 | 0.443 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.442 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.440 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.440 | |
| 2x6t | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.440 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.440 |