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 |
|---|---|---|---|
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 1.000 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.668 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.631 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.610 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.592 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.587 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.564 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.557 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.546 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.530 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.527 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.522 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.520 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.517 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.515 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.510 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.509 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.506 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.504 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.503 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.502 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.502 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.501 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.499 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.499 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.493 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.493 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.493 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.493 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.489 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.489 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.487 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.486 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.484 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.484 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.483 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.483 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.482 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.479 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.479 | |
| 1iy8 | NAD | Levodione reductase | / | 0.478 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.478 | |
| 1sny | NAP | LD36273p | / | 0.477 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.476 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.476 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.476 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.474 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.473 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.473 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.473 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.473 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.472 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.471 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.471 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.468 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.468 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.468 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.468 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.468 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.467 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.466 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.466 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.463 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.461 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.460 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.460 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.458 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.458 | |
| 1fdu | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.456 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.455 | |
| 3uce | NDP | Dehydrogenase | / | 0.454 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.453 | |
| 3bmo | NAP | Pteridine reductase | / | 0.453 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.452 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.452 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.452 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.451 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.448 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.447 | |
| 4bkq | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.447 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.447 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.446 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.445 | |
| 3sju | NDP | Keto reductase | / | 0.445 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.444 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.443 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.440 |