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 |
|---|---|---|---|
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 1.000 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.651 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.566 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.561 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.560 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.560 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.556 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.553 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.552 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.552 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.550 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.550 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.548 | |
| 1iy8 | NAD | Levodione reductase | / | 0.547 | |
| 1sny | NAP | LD36273p | / | 0.546 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.545 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.545 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.543 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.542 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.540 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.539 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.537 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.535 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.535 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.534 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.533 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.532 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.531 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.530 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.529 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.528 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.528 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.528 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.527 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.527 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.526 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.526 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.526 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.524 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.524 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.522 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.521 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.520 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.516 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.515 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.515 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.512 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.509 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.506 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.506 | |
| 3r3s | NAD | Putative oxidoreductase | / | 0.505 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.504 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.504 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.503 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.503 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.502 | |
| 3sju | NDP | Keto reductase | / | 0.502 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.501 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.500 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.500 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.500 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.499 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.499 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.499 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.498 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.498 | |
| 4idg | NAD | Putative UDP-glucose 4-epimerase | / | 0.498 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.498 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.497 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.497 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.497 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.496 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.496 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.495 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.494 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.494 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.494 | |
| 4cr8 | NAD | N-acylmannosamine 1-dehydrogenase | 1.1.1.233 | 0.494 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.493 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.492 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.491 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.491 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.489 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.488 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.488 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.487 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.487 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.487 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.486 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.486 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.484 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.483 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.480 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.479 | |
| 3geg | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.479 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.478 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.478 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.477 | |
| 2hrb | NAP | Carbonyl reductase [NADPH] 3 | 1.1.1.184 | 0.476 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.476 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.475 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.475 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.475 | |
| 4qec | NAP | ElxO | / | 0.473 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.471 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.471 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.470 | |
| 2ohx | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.470 | |
| 1kvr | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.468 | |
| 1wvg | APR | CDP-glucose 4,6-dehydratase | 4.2.1.45 | 0.468 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.468 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.467 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.466 | |
| 1fdu | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.465 | |
| 1lde | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.465 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.465 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.464 | |
| 1mgo | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.464 | |
| 1rkx | NAD | CDP-D-glucose-4,6-dehydratase | / | 0.464 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.464 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.464 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.462 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.462 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.461 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.460 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.459 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.459 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.459 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.457 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.456 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.455 | |
| 4dwv | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.455 | |
| 1hld | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.453 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.453 | |
| 2x6t | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.450 | |
| 1axg | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.449 | |
| 4nfh | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.449 | |
| 1b14 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.448 | |
| 1nai | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.448 | |
| 2oxi | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.447 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.447 | |
| 4wlv | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.447 | |
| 1nah | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.446 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.446 | |
| 5jy1 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.446 | |
| 4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.445 | |
| 1qyv | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.444 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.444 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.444 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.443 | |
| 4cpd | NAD | Alcohol dehydrogenase | / | 0.443 | |
| 4o0l | NDP | NADPH-dependent 3-quinuclidinone reductase | / | 0.443 | |
| 4qed | NAP | ElxO | / | 0.443 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.442 | |
| 1u3v | NAD | Alcohol dehydrogenase 1B | 1.1.1.1 | 0.442 | |
| 1a71 | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.441 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.441 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.441 | |
| 4ng5 | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.440 |