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 |
|---|---|---|---|
| 1uay | ADN | Oxidoreductase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1uay | ADN | Oxidoreductase | / | 1.000 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.563 | |
| 1iy8 | NAD | Levodione reductase | / | 0.543 | |
| 1bdb | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | / | 0.537 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.537 | |
| 3r3s | NAD | Putative oxidoreductase | / | 0.537 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.523 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.522 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.521 | |
| 3geg | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.519 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.516 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.514 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.513 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.512 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.508 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.506 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.505 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.503 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.500 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.500 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.499 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.495 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.495 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.493 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.492 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.492 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.491 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.489 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.487 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.486 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.485 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.485 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.484 | |
| 2ohx | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.484 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.484 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.484 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.483 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.481 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.481 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.481 | |
| 1b14 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.480 | |
| 1qyv | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.480 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.480 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.480 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.479 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.478 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.478 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.478 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.478 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.477 | |
| 4bkq | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.477 | |
| 3ajr | NAD | NDP-sugar epimerase | / | 0.474 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.474 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.474 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.474 | |
| 1fdu | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.473 | |
| 2c54 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.473 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.473 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.471 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.471 | |
| 4wlo | NAI | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.471 | |
| 4wlv | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.470 | |
| 3aw9 | NAD | NAD-dependent epimerase/dehydratase | / | 0.469 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.469 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.468 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.467 | |
| 2fxv | 5GP | Xanthine phosphoribosyltransferase | 2.4.2.22 | 0.467 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.467 | |
| 1hsz | NAD | Alcohol dehydrogenase 1B | 1.1.1.1 | 0.466 | |
| 2x86 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.466 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.466 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.466 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.466 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.466 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.466 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.465 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.464 | |
| 2c59 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.463 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.463 | |
| 4gkv | NAD | Alcohol dehydrogenase, propanol-preferring | 1.1.1.1 | 0.462 | |
| 4oaq | NDP | R-specific carbonyl reductase | / | 0.462 | |
| 1hld | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.461 | |
| 1mgo | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.461 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.461 | |
| 1bxk | NAD | dTDP-glucose 4,6-dehydratase 2 | / | 0.460 | |
| 1n7h | NDP | GDP-mannose 4,6 dehydratase 2 | 4.2.1.47 | 0.459 | |
| 2x6t | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.459 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.458 | |
| 4nd2 | A3D | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.458 | |
| 1kol | NAD | Glutathione-independent formaldehyde dehydrogenase | / | 0.457 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.457 | |
| 3up4 | FAD | 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase | 1.14.13.160 | 0.457 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.456 | |
| 1p9w | ANP | Type II secretion system protein E | / | 0.456 | |
| 1sny | NAP | LD36273p | / | 0.455 | |
| 4ej0 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.455 | |
| 2bfo | NDP | Pteridine reductase 1 | 1.5.1.33 | 0.454 | |
| 1ydt | IQB | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.453 | |
| 3a9w | NAD | NDP-sugar epimerase | / | 0.453 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.452 | |
| 1lde | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.452 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.452 | |
| 3sxp | NAD | ADP-L-glycero-D-mannoheptose-6-epimerase | / | 0.452 | |
| 1t2a | NDP | GDP-mannose 4,6 dehydratase | 4.2.1.47 | 0.451 | |
| 1zth | ADP | RIO-type serine/threonine-protein kinase Rio1 | 2.7.11.1 | 0.451 | |
| 2hjr | APR | Malate dehydrogenase, adjacent gene encodes predicted lactate dehydrogenase | / | 0.451 | |
| 4wlu | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.451 | |
| 5cds | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.451 | |
| 2dph | NAD | Formaldehyde dismutase | / | 0.450 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.449 | |
| 1ht0 | NAD | Alcohol dehydrogenase 1C | 1.1.1.1 | 0.449 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.449 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.449 | |
| 4axa | RKD | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.449 | |
| 2z7h | GG3 | Geranylgeranyl pyrophosphate synthase | / | 0.448 | |
| 4ajp | 88N | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.448 | |
| 1dyj | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 2oxi | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.447 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.446 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.446 | |
| 4z54 | GDP | Neuronal-specific septin-3 | / | 0.446 | |
| 2vhx | NAD | Alanine dehydrogenase | 1.4.1.1 | 0.444 | |
| 3hx4 | ANP | Calmodulin-domain protein kinase 1 | / | 0.444 | |
| 1n7g | NDP | GDP-mannose 4,6 dehydratase 2 | 4.2.1.47 | 0.443 | |
| 2v6o | FAD | Thioredoxin glutathione reductase | / | 0.443 | |
| 2v7g | NAD | Urocanate hydratase | 4.2.1.49 | 0.443 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.443 | |
| 4gll | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.443 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.443 | |
| 5mdh | NAD | Malate dehydrogenase, cytoplasmic | 1.1.1.37 | 0.443 | |
| 1hdz | NAD | Alcohol dehydrogenase 1B | 1.1.1.1 | 0.442 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.442 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.442 | |
| 4dwv | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.442 | |
| 2vhw | NAI | Alanine dehydrogenase | 1.4.1.1 | 0.441 | |
| 3t4e | NAD | Quinate/shikimate dehydrogenase | / | 0.441 | |
| 2xlr | FAD | Putative flavin-containing monooxygenase | / | 0.440 | |
| 4cpd | NAD | Alcohol dehydrogenase | / | 0.440 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.440 | |
| 4giu | 636 | Anthranilate phosphoribosyltransferase | / | 0.440 | |
| 4jnk | ZHK | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.440 |