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 |
|---|---|---|---|
| 2wsb | NAD | Galactitol dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 2wsb | NAD | Galactitol dehydrogenase | / | 1.000 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.607 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.605 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.600 | |
| 1iy8 | NAD | Levodione reductase | / | 0.583 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.582 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.579 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.562 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.561 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.561 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.559 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.558 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.558 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.555 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.550 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.543 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.542 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.540 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.540 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.537 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.535 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.534 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.534 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.534 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.532 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.532 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.531 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.531 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.530 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.529 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.528 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.528 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.527 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.527 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.527 | |
| 3sju | NDP | Keto reductase | / | 0.524 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.524 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.523 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.523 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.520 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.520 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.520 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.520 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.520 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.520 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.519 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.518 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.518 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.517 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.516 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.516 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.516 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.515 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.514 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.513 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.513 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.511 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.509 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.509 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.509 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.507 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.506 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.506 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.503 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.502 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.502 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.501 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.500 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.499 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.498 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.498 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.498 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.497 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.496 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.496 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.496 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.495 | |
| 1sny | NAP | LD36273p | / | 0.495 | |
| 3r3s | NAD | Putative oxidoreductase | / | 0.495 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.495 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.494 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.494 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.494 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.494 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.493 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.493 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.493 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.492 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.491 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.491 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.491 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.490 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.486 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.483 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.482 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.482 | |
| 5jy1 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.482 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.480 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.480 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.480 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.476 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.476 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.476 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.475 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.474 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.473 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.472 | |
| 1kvr | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.471 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.471 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.471 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.470 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.469 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.467 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.466 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.466 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.466 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.464 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.464 | |
| 4qec | NAP | ElxO | / | 0.464 | |
| 3a9w | NAD | NDP-sugar epimerase | / | 0.463 | |
| 3ggo | NAI | Prephenate dehydrogenase | / | 0.463 | |
| 1b14 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.460 | |
| 3ggp | NAD | Prephenate dehydrogenase | / | 0.459 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.459 | |
| 4lis | NAD | UDP-glucose 4-epimerase (Eurofung) | / | 0.459 | |
| 1rkx | NAD | CDP-D-glucose-4,6-dehydratase | / | 0.458 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.458 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.458 | |
| 3u4c | NDP | NADPH-dependent reductase BacG | / | 0.458 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.457 | |
| 3aw9 | NAD | NAD-dependent epimerase/dehydratase | / | 0.457 | |
| 1i3l | NAD | UDP-glucose 4-epimerase | / | 0.456 | |
| 3ajr | NAD | NDP-sugar epimerase | / | 0.455 | |
| 4ej0 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.455 | |
| 4o0l | NDP | NADPH-dependent 3-quinuclidinone reductase | / | 0.454 | |
| 1u7t | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.453 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.453 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.451 | |
| 1z7e | ATP | Bifunctional polymyxin resistance protein ArnA | / | 0.451 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.451 | |
| 1gd1 | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.450 | |
| 1i2b | NAD | UDP-sulfoquinovose synthase, chloroplastic | 3.13.1.1 | 0.450 | |
| 2c59 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.450 | |
| 1yba | NAD | D-3-phosphoglycerate dehydrogenase | 1.1.1.95 | 0.449 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.448 | |
| 4zju | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.448 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.447 | |
| 2c54 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.447 | |
| 4qed | NAP | ElxO | / | 0.446 | |
| 1mgo | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.445 | |
| 1nah | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.445 | |
| 1npt | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.445 | |
| 4b8z | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.445 | |
| 4p8r | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.444 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.443 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.442 | |
| 4bkq | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.442 | |
| 4nfh | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.442 | |
| 1nqo | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.441 | |
| 4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.441 | |
| 2g5c | NAD | Prephenate dehydrogenase | / | 0.440 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.440 |