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 |
|---|---|---|---|
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 1.000 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.532 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.529 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.523 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.523 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.522 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.521 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.520 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.519 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.518 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.517 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.516 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.516 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.515 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.511 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.511 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.511 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.511 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.510 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.510 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.509 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.508 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.508 | |
| 1iy8 | NAD | Levodione reductase | / | 0.508 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.508 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.506 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.505 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.505 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.504 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.502 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.500 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.499 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.498 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.497 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.497 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.496 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.495 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.495 | |
| 1z7e | ATP | Bifunctional polymyxin resistance protein ArnA | / | 0.492 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.492 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.491 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.490 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.490 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.489 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.489 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.489 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.486 | |
| 3lu1 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.486 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.486 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.486 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.485 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.485 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.485 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.485 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.484 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.484 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.482 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.482 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.481 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.480 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.480 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.480 | |
| 3sxp | NAD | ADP-L-glycero-D-mannoheptose-6-epimerase | / | 0.480 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.479 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.479 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.478 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.477 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.477 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.475 | |
| 4qec | NAP | ElxO | / | 0.475 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.474 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.474 | |
| 2q1w | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.474 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.474 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.474 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.474 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.473 | |
| 3doc | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.473 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.473 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.473 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.472 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.472 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.472 | |
| 4egb | NAD | dTDP-glucose 4,6-dehydratase | / | 0.470 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.470 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.469 | |
| 2hun | NAD | 336aa long hypothetical dTDP-glucose 4,6-dehydratase | / | 0.469 | |
| 2jkv | NAP | 6-phosphogluconate dehydrogenase, decarboxylating | 1.1.1.44 | 0.468 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.467 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.466 | |
| 3sju | NDP | Keto reductase | / | 0.466 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.466 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.465 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.464 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.464 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.463 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.463 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.461 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.461 | |
| 3ruf | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.461 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.461 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.460 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.460 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.459 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.458 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.458 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.458 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.458 | |
| 3ruc | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.457 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.456 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.455 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.455 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.454 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.454 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.454 | |
| 1i3l | NAD | UDP-glucose 4-epimerase | / | 0.453 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.453 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.453 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.453 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.453 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.452 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.452 | |
| 1rkx | NAD | CDP-D-glucose-4,6-dehydratase | / | 0.451 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.451 | |
| 1eq2 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.450 | |
| 1sny | NAP | LD36273p | / | 0.450 | |
| 3geg | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.450 | |
| 2g5c | NAD | Prephenate dehydrogenase | / | 0.449 | |
| 4dwv | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.449 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.449 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.448 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.447 | |
| 2ohx | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.447 | |
| 3aw9 | NAD | NAD-dependent epimerase/dehydratase | / | 0.447 | |
| 4ej0 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.447 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.447 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.446 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.446 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.445 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.445 | |
| 3bmo | NAP | Pteridine reductase | / | 0.445 | |
| 1kvr | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.444 | |
| 4idg | NAD | Putative UDP-glucose 4-epimerase | / | 0.444 | |
| 4p8r | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.444 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.443 | |
| 3ggo | NAI | Prephenate dehydrogenase | / | 0.443 | |
| 4gl4 | NAI | Alcohol dehydrogenase class-3 | / | 0.443 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.443 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.443 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.442 | |
| 1cdo | NAD | Alcohol dehydrogenase 1 | 1.1.1.1 | 0.442 | |
| 1qyv | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.442 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.442 | |
| 3r3s | NAD | Putative oxidoreductase | / | 0.441 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.440 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.440 |