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 |
|---|---|---|---|
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 1.000 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.661 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.575 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.553 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.546 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.541 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.541 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.535 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.534 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.532 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.531 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.530 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.530 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.529 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.529 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.528 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.527 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.527 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.527 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.525 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.524 | |
| 1sny | NAP | LD36273p | / | 0.523 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.522 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.520 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.519 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.517 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.516 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.515 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.515 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.512 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.512 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.512 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.512 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.512 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.511 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.511 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.509 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.509 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.508 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.507 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.506 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.506 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.505 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.505 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.504 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.503 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.502 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.502 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.500 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.500 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.500 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.500 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.499 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.499 | |
| 1iy8 | NAD | Levodione reductase | / | 0.498 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.498 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.497 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.497 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.497 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.496 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.496 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.495 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.495 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.494 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.494 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.492 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.490 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.490 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.490 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.490 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.490 | |
| 3sju | NDP | Keto reductase | / | 0.489 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.488 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.488 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.488 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.488 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.487 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.487 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.485 | |
| 4idg | NAD | Putative UDP-glucose 4-epimerase | / | 0.485 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.484 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.484 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.484 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.483 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.482 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.482 | |
| 4qec | NAP | ElxO | / | 0.482 | |
| 4b8w | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.481 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.480 | |
| 1eq2 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.479 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.479 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.479 | |
| 4ej0 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.479 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.478 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.478 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.478 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.478 | |
| 4cr8 | NAD | N-acylmannosamine 1-dehydrogenase | 1.1.1.233 | 0.477 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.476 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.476 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.476 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.476 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.475 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.475 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.474 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.474 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.473 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.473 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.473 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.473 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.472 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.471 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.470 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.470 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.470 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.469 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.469 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.468 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.468 | |
| 3ggo | NAI | Prephenate dehydrogenase | / | 0.468 | |
| 1z7e | ATP | Bifunctional polymyxin resistance protein ArnA | / | 0.467 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.466 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.465 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.465 | |
| 1kvr | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.462 | |
| 1nah | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.462 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.462 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.462 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.461 | |
| 1i3l | NAD | UDP-glucose 4-epimerase | / | 0.459 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.458 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.458 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.458 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.457 | |
| 4cpd | NAD | Alcohol dehydrogenase | / | 0.455 | |
| 3r3s | NAD | Putative oxidoreductase | / | 0.454 | |
| 4dwv | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.454 | |
| 4nfh | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.454 | |
| 1i2b | NAD | UDP-sulfoquinovose synthase, chloroplastic | 3.13.1.1 | 0.453 | |
| 2x6t | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.453 | |
| 2hrb | NAP | Carbonyl reductase [NADPH] 3 | 1.1.1.184 | 0.452 | |
| 3aw9 | NAD | NAD-dependent epimerase/dehydratase | / | 0.450 | |
| 3to6 | LYS_CMC | Histone acetyltransferase ESA1 | / | 0.450 | |
| 1sow | NAD | L-lactate dehydrogenase | 1.1.1.27 | 0.449 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.449 | |
| 1b14 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.448 | |
| 1nai | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.447 | |
| 4nd2 | A3D | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.447 | |
| 1egd | FAD | Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.7 | 0.446 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.445 | |
| 4ng5 | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.445 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.444 | |
| 2jhf | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.444 | |
| 3u4c | NDP | NADPH-dependent reductase BacG | / | 0.444 | |
| 1mgo | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.443 | |
| 2ohx | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.443 | |
| 3bmo | NAP | Pteridine reductase | / | 0.443 | |
| 4e5y | NDP | GDP-L-fucose synthase | 1.1.1.271 | 0.443 | |
| 1u7t | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.442 | |
| 2gn8 | NAP | UDP-N-acetylglucosamine 4,6-dehydratase (inverting) | 4.2.1.115 | 0.442 | |
| 4ajp | 88N | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.442 | |
| 4lis | NAD | UDP-glucose 4-epimerase (Eurofung) | / | 0.442 | |
| 1fdu | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.440 | |
| 2a92 | NAI | L-lactate dehydrogenase | / | 0.440 | |
| 4dlb | NAD | S-(hydroxymethyl)glutathione dehydrogenase | / | 0.440 |