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 |
|---|---|---|---|
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 1.000 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.627 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.619 | |
| 1sny | NAP | LD36273p | / | 0.606 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.578 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.575 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.569 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.565 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.557 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.552 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.550 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.550 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.547 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.546 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.545 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.544 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.539 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.539 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.536 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.532 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.530 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.529 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.529 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.529 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.528 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.528 | |
| 4qec | NAP | ElxO | / | 0.528 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.525 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.524 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.522 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.521 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.520 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.520 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.519 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.519 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.516 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.516 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.514 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.513 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.512 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.511 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.511 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.510 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.510 | |
| 3u4c | NDP | NADPH-dependent reductase BacG | / | 0.510 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.510 | |
| 4qed | NAP | ElxO | / | 0.510 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.510 | |
| 2hrb | NAP | Carbonyl reductase [NADPH] 3 | 1.1.1.184 | 0.509 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.509 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.507 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.505 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.504 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.504 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.503 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.503 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.502 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.500 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.500 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.500 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.499 | |
| 3sju | NDP | Keto reductase | / | 0.499 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.493 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.492 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.492 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.491 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.489 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.489 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.489 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.489 | |
| 1iy8 | NAD | Levodione reductase | / | 0.487 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.487 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.486 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.485 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.482 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.482 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.481 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.479 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.479 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.478 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.477 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.476 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.475 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.475 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.475 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.475 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.475 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.473 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.473 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.472 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.470 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.469 | |
| 2gn8 | NAP | UDP-N-acetylglucosamine 4,6-dehydratase (inverting) | 4.2.1.115 | 0.468 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.467 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.465 | |
| 1n7h | NDP | GDP-mannose 4,6 dehydratase 2 | 4.2.1.47 | 0.464 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.462 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.461 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.461 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.460 | |
| 4o0l | NDP | NADPH-dependent 3-quinuclidinone reductase | / | 0.460 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.459 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.459 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.458 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.458 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.458 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.457 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.457 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.457 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.456 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.456 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.455 | |
| 3pef | NAP | Glyoxalate/3-oxopropanoate/4-oxobutanoate reductase | / | 0.455 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.454 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.454 | |
| 1eq2 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.453 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.453 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.453 | |
| 3uce | NDP | Dehydrogenase | / | 0.453 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.453 | |
| 4imp | NDP | Polyketide synthase extender modules 3-4 | / | 0.453 | |
| 5emh | NAP | Iridoid synthase | 1.3.1.99 | 0.452 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.452 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.449 | |
| 5dcy | NAP | Iridoid synthase | 1.3.1.99 | 0.449 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.448 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.447 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.447 | |
| 2x6t | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.447 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.446 | |
| 1ybm | NAP | Uncharacterized protein At5g02240 | / | 0.445 | |
| 2c59 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.444 | |
| 2eba | FAD | Putative glutaryl-CoA dehydrogenase | / | 0.443 | |
| 4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.443 | |
| 1t2a | NDP | GDP-mannose 4,6 dehydratase | 4.2.1.47 | 0.442 | |
| 4ej0 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.441 | |
| 1b14 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.440 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.440 | |
| 1hdo | NAP | Flavin reductase (NADPH) | / | 0.440 | |
| 5dbf | NDP | Iridoid synthase | 1.3.1.99 | 0.440 |