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 |
|---|---|---|---|
| 5jyd | NAD | Short chain dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 5jyd | NAD | Short chain dehydrogenase | / | 1.000 | |
| 3r3s | NAD | Putative oxidoreductase | / | 0.552 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.548 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.544 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.541 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.538 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.537 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.535 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.533 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.532 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.531 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.528 | |
| 1rkx | NAD | CDP-D-glucose-4,6-dehydratase | / | 0.527 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.523 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.522 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.520 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.519 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.518 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.518 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.517 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.516 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.516 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.515 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.514 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.511 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.510 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.510 | |
| 1sny | NAP | LD36273p | / | 0.509 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.509 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.508 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.508 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.508 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.508 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.507 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.507 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.507 | |
| 1iy8 | NAD | Levodione reductase | / | 0.504 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.504 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.504 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.503 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.500 | |
| 1nai | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.500 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.500 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.500 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.499 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.499 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.498 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.497 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.497 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.496 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.495 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.494 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.493 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.493 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.493 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.493 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.490 | |
| 2hrb | NAP | Carbonyl reductase [NADPH] 3 | 1.1.1.184 | 0.489 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.489 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.488 | |
| 2q1w | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.487 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.487 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.486 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.486 | |
| 1wvg | APR | CDP-glucose 4,6-dehydratase | 4.2.1.45 | 0.485 | |
| 4qec | NAP | ElxO | / | 0.485 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.484 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.483 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.483 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.483 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.481 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.481 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.481 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.481 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.481 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.480 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.480 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.479 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.479 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.478 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.478 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.478 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.477 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.477 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.477 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.476 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.476 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.475 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.473 | |
| 1fdu | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.472 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.472 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.472 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.472 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.472 | |
| 4o0l | NDP | NADPH-dependent 3-quinuclidinone reductase | / | 0.472 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.471 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.469 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.469 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.469 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.469 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.468 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.468 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.468 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.467 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.467 | |
| 3uce | NDP | Dehydrogenase | / | 0.467 | |
| 3sju | NDP | Keto reductase | / | 0.466 | |
| 1qyv | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.465 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.465 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.465 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.465 | |
| 1kvr | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.464 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.464 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.460 | |
| 4idg | NAD | Putative UDP-glucose 4-epimerase | / | 0.460 | |
| 1nah | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.459 | |
| 1i3l | NAD | UDP-glucose 4-epimerase | / | 0.458 | |
| 3lu1 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.457 | |
| 4qed | NAP | ElxO | / | 0.457 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.456 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.456 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.456 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.455 | |
| 3u4c | NDP | NADPH-dependent reductase BacG | / | 0.455 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.454 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.454 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.453 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.453 | |
| 3ruf | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.453 | |
| 2x6t | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.452 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.452 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.451 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.451 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.451 | |
| 1b14 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.450 | |
| 2ohx | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.450 | |
| 4dwv | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.450 | |
| 4ej0 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.450 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.449 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.449 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.449 | |
| 4lis | NAD | UDP-glucose 4-epimerase (Eurofung) | / | 0.449 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.449 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.448 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.447 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.446 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.446 | |
| 2pzj | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.445 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.445 | |
| 4pvd | NDP | NADPH-dependent methylglyoxal reductase GRE2 | / | 0.445 | |
| 3sxp | NAD | ADP-L-glycero-D-mannoheptose-6-epimerase | / | 0.444 | |
| 3geg | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.443 | |
| 5dbf | NDP | Iridoid synthase | 1.3.1.99 | 0.443 | |
| 1eq2 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.442 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.442 | |
| 4wlu | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.442 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.441 | |
| 4e5y | NDP | GDP-L-fucose synthase | 1.1.1.271 | 0.441 | |
| 2uzf | CAA | 1,4-dihydroxy-2-naphthoyl-CoA synthase | / | 0.440 | |
| 4nwz | FAD | FAD-dependent pyridine nucleotide-disulfide oxidoreductase | / | 0.440 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.440 |