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 |
|---|---|---|---|
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 1.000 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.614 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.589 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.571 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.564 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.548 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.547 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.540 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.539 | |
| 1sny | NAP | LD36273p | / | 0.537 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.535 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.534 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.533 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.533 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.532 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.531 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.531 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.531 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.530 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.528 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.526 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.526 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.525 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.523 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.523 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.521 | |
| 4qec | NAP | ElxO | / | 0.520 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.520 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.519 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.518 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.518 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.517 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.516 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.515 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.515 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.513 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.513 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.512 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.511 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.511 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.511 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.509 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.509 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.509 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.508 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.508 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.507 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.507 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.504 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.504 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.502 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.502 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.501 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.500 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.500 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.499 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.499 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.499 | |
| 3sju | NDP | Keto reductase | / | 0.499 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.498 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.497 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.495 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.495 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.495 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.494 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.492 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.491 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.490 | |
| 4qed | NAP | ElxO | / | 0.490 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.489 | |
| 1iy8 | NAD | Levodione reductase | / | 0.489 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.489 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.488 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.488 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.488 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.487 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.487 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.487 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.487 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.486 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.485 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.485 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.484 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.484 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.484 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.482 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.482 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.482 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.482 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.480 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.480 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.480 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.479 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.478 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.476 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.476 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.476 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.475 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.475 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.474 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.473 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.472 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.471 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.470 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.470 | |
| 3uce | NDP | Dehydrogenase | / | 0.468 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.467 | |
| 4b8z | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.464 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.463 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.463 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.462 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.462 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.462 | |
| 4imp | NDP | Polyketide synthase extender modules 3-4 | / | 0.461 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.460 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.460 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.460 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.459 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.457 | |
| 4b8w | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.457 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.457 | |
| 1wvg | APR | CDP-glucose 4,6-dehydratase | 4.2.1.45 | 0.454 | |
| 4o0l | NDP | NADPH-dependent 3-quinuclidinone reductase | / | 0.453 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.452 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.452 | |
| 1hdc | CBO | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.451 | |
| 5koi | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.451 | |
| 4pvd | NDP | NADPH-dependent methylglyoxal reductase GRE2 | / | 0.450 | |
| 3ggo | NAI | Prephenate dehydrogenase | / | 0.449 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.448 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.445 | |
| 1rkx | NAD | CDP-D-glucose-4,6-dehydratase | / | 0.444 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.444 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.442 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.442 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.440 | |
| 2hrb | NAP | Carbonyl reductase [NADPH] 3 | 1.1.1.184 | 0.440 |