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 |
|---|---|---|---|
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 1.000 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.561 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.530 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.530 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.526 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.505 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.504 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.502 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.499 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.497 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.496 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.495 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.492 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.491 | |
| 4qec | NAP | ElxO | / | 0.491 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.488 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.488 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.488 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.488 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.486 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.485 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.485 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.485 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.483 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.483 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.481 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.480 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.479 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.479 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.477 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.476 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.475 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.475 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.474 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.471 | |
| 3bmo | NAP | Pteridine reductase | / | 0.470 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.470 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.469 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.468 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.467 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.467 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.466 | |
| 3sju | NDP | Keto reductase | / | 0.466 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.465 | |
| 1qyv | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.465 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.464 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.464 | |
| 2hrb | NAP | Carbonyl reductase [NADPH] 3 | 1.1.1.184 | 0.463 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.463 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.463 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.462 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.462 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.462 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.461 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.461 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.461 | |
| 4qed | NAP | ElxO | / | 0.461 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.460 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.459 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.458 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.458 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.458 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.457 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.457 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.455 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.454 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.453 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.452 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.452 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.451 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.450 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.450 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.450 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.449 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.448 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.448 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.447 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.447 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.446 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.446 | |
| 1fdu | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.444 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.444 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.444 | |
| 1sny | NAP | LD36273p | / | 0.443 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.443 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.442 |