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 |
|---|---|---|---|
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 1.000 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.795 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.643 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.622 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.592 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.587 | |
| 1b14 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.547 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.542 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.539 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.537 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.535 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.529 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.529 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.520 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.518 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.514 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.508 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.506 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.505 | |
| 1sny | NAP | LD36273p | / | 0.503 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.503 | |
| 1iy8 | NAD | Levodione reductase | / | 0.502 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.502 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.501 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.500 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.499 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.496 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.495 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.495 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.493 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.492 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.491 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.490 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.489 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.489 | |
| 4qec | NAP | ElxO | / | 0.489 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.488 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.488 | |
| 4imp | NDP | Polyketide synthase extender modules 3-4 | / | 0.486 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.484 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.484 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.484 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.484 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.483 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.482 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.482 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.481 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.481 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.480 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.479 | |
| 3sju | NDP | Keto reductase | / | 0.479 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.479 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.478 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.477 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.476 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.475 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.474 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.474 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.473 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.472 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.472 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.472 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.472 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.472 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.471 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.470 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.469 | |
| 4pvd | NDP | NADPH-dependent methylglyoxal reductase GRE2 | / | 0.467 | |
| 3aw9 | NAD | NAD-dependent epimerase/dehydratase | / | 0.466 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.465 | |
| 3ajr | NAD | NDP-sugar epimerase | / | 0.463 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.462 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.462 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.462 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.461 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.461 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.459 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.458 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.457 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.456 | |
| 1z7e | ATP | Bifunctional polymyxin resistance protein ArnA | / | 0.455 | |
| 2c54 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.455 | |
| 2c59 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.455 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.455 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.454 | |
| 4qed | NAP | ElxO | / | 0.453 | |
| 4wlu | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.453 | |
| 2q4b | NAP | Uncharacterized protein At5g02240 | / | 0.452 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.452 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.451 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.451 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.450 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.450 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.450 | |
| 4wlv | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.450 | |
| 2x86 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.449 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.449 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.449 | |
| 4ej0 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.449 | |
| 4ajp | 88N | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.448 | |
| 3ggo | NAI | Prephenate dehydrogenase | / | 0.447 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.446 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.446 | |
| 3a9w | NAD | NDP-sugar epimerase | / | 0.445 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.445 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.444 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.441 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.440 | |
| 1n7h | NDP | GDP-mannose 4,6 dehydratase 2 | 4.2.1.47 | 0.440 | |
| 1t2d | NAD | L-lactate dehydrogenase | 1.1.1.27 | 0.440 | |
| 1ybm | NAP | Uncharacterized protein At5g02240 | / | 0.440 |