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 |
|---|---|---|---|
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 1.000 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.604 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.542 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.530 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.528 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.517 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.512 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.508 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.506 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.504 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.503 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.503 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.501 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.498 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.497 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.496 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.493 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.492 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.491 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.490 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.488 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.488 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.487 | |
| 1iy8 | NAD | Levodione reductase | / | 0.487 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.487 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.487 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.486 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.485 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.484 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.483 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.483 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.483 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.483 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.483 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.482 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.482 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.482 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.481 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.480 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.480 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.480 | |
| 3sju | NDP | Keto reductase | / | 0.480 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.478 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.478 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.478 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.478 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.476 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.476 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.476 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.475 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.475 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.475 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.473 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.471 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.471 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.471 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.471 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.471 | |
| 4qec | NAP | ElxO | / | 0.471 | |
| 5jy1 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.471 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.468 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.468 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.467 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.467 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.466 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.466 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.466 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.466 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.465 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.465 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.464 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.463 | |
| 4idg | NAD | Putative UDP-glucose 4-epimerase | / | 0.463 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.462 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.462 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.462 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.462 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.462 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.461 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.460 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.460 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.459 | |
| 1sny | NAP | LD36273p | / | 0.458 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.457 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.457 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.457 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.457 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.456 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.455 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.454 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.454 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.453 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.452 | |
| 1i3l | NAD | UDP-glucose 4-epimerase | / | 0.452 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.452 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.452 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.449 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.449 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.449 | |
| 4lis | NAD | UDP-glucose 4-epimerase (Eurofung) | / | 0.449 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.448 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.448 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.447 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.445 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.445 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.445 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.444 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.444 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.444 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.440 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.440 |