sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Binding Sites 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
Binding Sites are considered as similar when the similarity value is greater than 0.44
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 1.000 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.542 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.533 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.532 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.523 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.520 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.520 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.519 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.518 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.517 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.509 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.504 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.504 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.504 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.503 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.502 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.502 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.500 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.499 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.497 | |
| 1iy8 | NAD | Levodione reductase | / | 0.497 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.496 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.491 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.490 | |
| 4qec | NAP | ElxO | / | 0.490 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.489 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.488 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.484 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.481 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.480 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.480 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.479 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.479 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.477 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.473 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.473 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.473 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.472 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.471 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.469 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.468 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.467 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.467 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.466 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.466 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.464 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.464 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.464 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.464 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.463 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.463 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.461 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.461 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.461 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.460 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.459 | |
| 3lu1 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.459 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.459 | |
| 1sny | NAP | LD36273p | / | 0.458 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.457 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.457 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.457 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.456 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.456 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.455 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.455 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.455 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.455 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.454 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.454 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.454 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.454 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.453 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.453 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.453 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.453 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.452 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.451 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.451 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.450 | |
| 4p8r | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.450 | |
| 1i3l | NAD | UDP-glucose 4-epimerase | / | 0.449 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.449 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.449 | |
| 4zju | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.449 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.448 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.447 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.447 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.447 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.447 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.447 | |
| 1rkx | NAD | CDP-D-glucose-4,6-dehydratase | / | 0.446 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.446 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.446 | |
| 1u7t | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.445 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.445 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.445 | |
| 3sxp | NAD | ADP-L-glycero-D-mannoheptose-6-epimerase | / | 0.445 | |
| 4idg | NAD | Putative UDP-glucose 4-epimerase | / | 0.445 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.444 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.444 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.444 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.443 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.443 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.443 | |
| 3ksd | NAD | Glyceraldehyde-3-phosphate dehydrogenase 1 | / | 0.440 |