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 |
|---|---|---|---|
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 1.000 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.592 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.589 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.577 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.572 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.562 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.559 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.549 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.544 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.535 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.533 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.526 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.518 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.514 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.514 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.510 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.509 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.506 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.505 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.504 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.503 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.500 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.498 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.497 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.496 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.496 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.495 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.495 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.494 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.493 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.492 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.492 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.489 | |
| 4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.488 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.488 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.488 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.486 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.486 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.484 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.484 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.483 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.483 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.483 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.483 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.481 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.481 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.481 | |
| 4qec | NAP | ElxO | / | 0.481 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.480 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.480 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.479 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.479 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.478 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.478 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.477 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.477 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.476 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.476 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.474 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.474 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.474 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.474 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.473 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.472 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.472 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.472 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.471 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.471 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.471 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.471 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.471 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.469 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.469 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.469 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.468 | |
| 1sny | NAP | LD36273p | / | 0.468 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.466 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.465 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.465 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.465 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.463 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.461 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.460 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.460 | |
| 4o0l | NDP | NADPH-dependent 3-quinuclidinone reductase | / | 0.458 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.457 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.457 | |
| 3sju | NDP | Keto reductase | / | 0.456 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.455 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.455 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.453 | |
| 1iy8 | NAD | Levodione reductase | / | 0.452 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.450 | |
| 4imp | NDP | Polyketide synthase extender modules 3-4 | / | 0.450 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.449 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.449 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.448 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.447 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.447 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.446 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.445 | |
| 2c0c | NAP | Prostaglandin reductase 3 | 1 | 0.444 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.443 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.443 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.443 | |
| 4ure | 1PS | Cyclohexanol dehydrogenase | / | 0.443 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.442 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.442 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.441 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.441 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.440 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.440 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.440 |