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 |
|---|---|---|---|
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 1.000 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.618 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.599 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.597 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.596 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.584 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.572 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.568 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.561 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.553 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.547 | |
| 1sny | NAP | LD36273p | / | 0.546 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.546 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.543 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.543 | |
| 4qec | NAP | ElxO | / | 0.543 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.542 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.541 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.540 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.537 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.535 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.535 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.532 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.531 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.530 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.530 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.529 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.529 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.527 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.526 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.526 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.525 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.525 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.524 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.522 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.522 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.520 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.519 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.518 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.517 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.516 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.515 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.515 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.514 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.513 | |
| 1iy8 | NAD | Levodione reductase | / | 0.512 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.512 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.511 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.511 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.509 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.509 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.508 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.508 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.507 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.507 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.507 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.506 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.505 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.505 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.504 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.504 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.503 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.501 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.499 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.499 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.498 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.498 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.497 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.496 | |
| 1wvg | APR | CDP-glucose 4,6-dehydratase | 4.2.1.45 | 0.494 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.494 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.493 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.493 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.492 | |
| 1rkx | NAD | CDP-D-glucose-4,6-dehydratase | / | 0.491 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.490 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.489 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.489 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.489 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.488 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.488 | |
| 4pvd | NDP | NADPH-dependent methylglyoxal reductase GRE2 | / | 0.487 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.486 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.486 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.484 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.484 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.483 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.482 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.481 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.480 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.479 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.479 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.479 | |
| 4qed | NAP | ElxO | / | 0.479 | |
| 1b14 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.478 | |
| 3sju | NDP | Keto reductase | / | 0.478 | |
| 4ej0 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.478 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.477 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.476 | |
| 4imp | NDP | Polyketide synthase extender modules 3-4 | / | 0.476 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.476 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.474 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.474 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.472 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.471 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.471 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.471 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.470 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.470 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.469 | |
| 2ieb | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.469 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.468 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.468 | |
| 5koi | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.467 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.466 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.465 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.465 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.464 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.463 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.463 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.462 | |
| 3uce | NDP | Dehydrogenase | / | 0.462 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.462 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.459 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.457 | |
| 1fy7 | COA | Histone acetyltransferase ESA1 | / | 0.456 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.456 | |
| 4lis | NAD | UDP-glucose 4-epimerase (Eurofung) | / | 0.455 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.454 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.454 | |
| 5dcy | NAP | Iridoid synthase | 1.3.1.99 | 0.454 | |
| 4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.452 | |
| 2ie0 | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.451 | |
| 4bkq | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.451 | |
| 1eq2 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.450 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.450 | |
| 1qyv | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.449 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.449 | |
| 2aqk | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.448 | |
| 2ou2 | ACO | Histone acetyltransferase KAT5 | / | 0.448 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.448 | |
| 4b8w | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.448 | |
| 4idg | NAD | Putative UDP-glucose 4-epimerase | / | 0.447 | |
| 4o0l | NDP | NADPH-dependent 3-quinuclidinone reductase | / | 0.447 | |
| 4jbi | NDP | Alcohol dehydrogenase (Zinc) | / | 0.446 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.446 | |
| 1nyt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.445 | |
| 2gn8 | NAP | UDP-N-acetylglucosamine 4,6-dehydratase (inverting) | 4.2.1.115 | 0.445 | |
| 2x6t | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.445 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.444 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.444 | |
| 3to6 | LYS_CMC | Histone acetyltransferase ESA1 | / | 0.444 | |
| 4e5y | NDP | GDP-L-fucose synthase | 1.1.1.271 | 0.444 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.444 | |
| 1mjb | ACO | Histone acetyltransferase ESA1 | / | 0.443 | |
| 1xq6 | NAP | Uncharacterized protein At5g02240 | / | 0.443 | |
| 1ybm | NAP | Uncharacterized protein At5g02240 | / | 0.443 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.443 | |
| 3sz0 | FAD | Sulfide-quinone reductase | / | 0.443 | |
| 1hdo | NAP | Flavin reductase (NADPH) | / | 0.442 | |
| 1nai | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.442 | |
| 4b8z | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.442 | |
| 1nah | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.440 |