sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Binding Sites 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
Binding Sites are considered as similar when the similarity value is greater than 0.44
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 1.000 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.629 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.609 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.576 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.576 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.563 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.560 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.556 | |
| 1sny | NAP | LD36273p | / | 0.555 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.551 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.550 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.549 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.549 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.549 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.549 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.548 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.545 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.545 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.544 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.544 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.543 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.540 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.539 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.538 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.537 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.537 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.537 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.537 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.537 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.536 | |
| 4qec | NAP | ElxO | / | 0.536 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.534 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.532 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.531 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.531 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.531 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.530 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.530 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.530 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.527 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.527 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.526 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.526 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.526 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.524 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.524 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.524 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.522 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.522 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.522 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.521 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.519 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.519 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.519 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.516 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.516 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.515 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.515 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.515 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.513 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.512 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.510 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.510 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.510 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.509 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.509 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.508 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.507 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.507 | |
| 3sju | NDP | Keto reductase | / | 0.507 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.506 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.506 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.505 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.505 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.505 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.505 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.505 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.505 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.504 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.504 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.503 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.502 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.501 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.500 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.500 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.499 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.499 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.498 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.498 | |
| 1iy8 | NAD | Levodione reductase | / | 0.496 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.496 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.496 | |
| 3uce | NDP | Dehydrogenase | / | 0.495 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.494 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.493 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.493 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.492 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.491 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.491 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.490 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.489 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.489 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.488 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.488 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.485 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.483 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.483 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.483 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.482 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.481 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.480 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.478 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.478 | |
| 4qed | NAP | ElxO | / | 0.477 | |
| 4b8z | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.476 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.475 | |
| 3u4c | NDP | NADPH-dependent reductase BacG | / | 0.475 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.473 | |
| 4imp | NDP | Polyketide synthase extender modules 3-4 | / | 0.472 | |
| 4o0l | NDP | NADPH-dependent 3-quinuclidinone reductase | / | 0.472 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.470 | |
| 4lis | NAD | UDP-glucose 4-epimerase (Eurofung) | / | 0.470 | |
| 1wvg | APR | CDP-glucose 4,6-dehydratase | 4.2.1.45 | 0.468 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.468 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.467 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.465 | |
| 4pvd | NDP | NADPH-dependent methylglyoxal reductase GRE2 | / | 0.465 | |
| 3ggo | NAI | Prephenate dehydrogenase | / | 0.464 | |
| 4b8w | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.463 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.462 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.462 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.460 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.460 | |
| 5koi | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.460 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.459 | |
| 1nai | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.458 | |
| 4ej0 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.458 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.456 | |
| 1kvr | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.455 | |
| 2x6t | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.455 | |
| 5jy1 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.455 | |
| 1b14 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.454 | |
| 1rkx | NAD | CDP-D-glucose-4,6-dehydratase | / | 0.454 | |
| 2hrb | NAP | Carbonyl reductase [NADPH] 3 | 1.1.1.184 | 0.453 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.452 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.452 | |
| 1ybm | NAP | Uncharacterized protein At5g02240 | / | 0.451 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.451 | |
| 5emh | NAP | Iridoid synthase | 1.3.1.99 | 0.451 | |
| 4e5y | NDP | GDP-L-fucose synthase | 1.1.1.271 | 0.449 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.449 | |
| 2x86 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.448 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.448 | |
| 1fdu | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.447 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.446 | |
| 1i3l | NAD | UDP-glucose 4-epimerase | / | 0.445 | |
| 1qyv | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.445 | |
| 2ieb | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.444 | |
| 2c54 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.443 | |
| 2gn8 | NAP | UDP-N-acetylglucosamine 4,6-dehydratase (inverting) | 4.2.1.115 | 0.443 | |
| 4jbi | NDP | Alcohol dehydrogenase (Zinc) | / | 0.443 | |
| 5dcy | NAP | Iridoid synthase | 1.3.1.99 | 0.443 | |
| 2c59 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.442 | |
| 4bv9 | NDP | Ketimine reductase mu-crystallin | 1.5.1.25 | 0.442 | |
| 4gll | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.442 |