sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Cavities 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
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 1.000 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.809 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.676 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.636 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.587 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.573 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.545 | |
| 1iy8 | NAD | Levodione reductase | / | 0.544 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.540 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.534 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.529 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.529 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.525 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.522 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.520 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.519 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.517 | |
| 1b14 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.515 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.514 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.511 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.511 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.508 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.507 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.507 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.506 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.505 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.504 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.503 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.501 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.500 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.500 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.500 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.499 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.499 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.497 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.497 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.496 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.496 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.492 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.491 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.489 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.486 | |
| 1sny | NAP | LD36273p | / | 0.485 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.484 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.480 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.479 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.479 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.479 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.477 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.476 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.476 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.474 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.474 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.474 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.471 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.469 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.469 | |
| 4qec | NAP | ElxO | / | 0.469 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.467 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.467 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.466 | |
| 3ajr | NAD | NDP-sugar epimerase | / | 0.466 | |
| 4wlv | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.466 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.463 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.462 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.461 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.461 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.460 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.460 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.460 | |
| 4imp | NDP | Polyketide synthase extender modules 3-4 | / | 0.459 | |
| 4wlu | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.459 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.458 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.458 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.458 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.457 | |
| 1z7e | ATP | Bifunctional polymyxin resistance protein ArnA | / | 0.456 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.456 | |
| 3sju | NDP | Keto reductase | / | 0.456 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.455 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.455 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.454 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.454 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.452 | |
| 2c54 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.450 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.450 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.450 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.450 | |
| 3ggo | NAI | Prephenate dehydrogenase | / | 0.448 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.448 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.448 | |
| 1hdc | CBO | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.447 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.447 | |
| 1i2b | NAD | UDP-sulfoquinovose synthase, chloroplastic | 3.13.1.1 | 0.446 | |
| 1yba | NAD | D-3-phosphoglycerate dehydrogenase | 1.1.1.95 | 0.446 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.446 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.445 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.445 | |
| 2hjr | APR | Malate dehydrogenase, adjacent gene encodes predicted lactate dehydrogenase | / | 0.444 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.444 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.444 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.443 | |
| 4lis | NAD | UDP-glucose 4-epimerase (Eurofung) | / | 0.443 | |
| 4pvd | NDP | NADPH-dependent methylglyoxal reductase GRE2 | / | 0.443 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.442 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.442 | |
| 3u4c | NDP | NADPH-dependent reductase BacG | / | 0.442 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.441 | |
| 1kvr | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.440 | |
| 1ybm | NAP | Uncharacterized protein At5g02240 | / | 0.440 |