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 Modes are compared using Grim.
For more information, please see the following publication:
Desaphy J. et al. Encoding Protein-Ligand Interaction Patterns in Fingerprints and Graphs J. Chem. Inf. Model., 2013, 53 (3), pp 623-637
Binding modes are considered as similar when the similarity value is greater than 0.65
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 1qyv | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Mode Similarity |
Align |
|---|---|---|---|---|---|
| 1qyv | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 1.238 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.784 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.782 | |
| 3aut | NAI | Glucose 1-dehydrogenase 4 | 1.1.1.47 | 0.780 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.777 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.775 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.769 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.766 | |
| 3r3s | NAD | Putative oxidoreductase | / | 0.763 | |
| 4k6f | NAP | Putative Acetoacetyl-CoA reductase | / | 0.763 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.762 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.757 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.756 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.756 | |
| 1qyx | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.753 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.752 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.750 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.748 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.747 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.746 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.746 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.746 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.745 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.744 | |
| 4qec | NAP | ElxO | / | 0.744 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.743 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.741 | |
| 1fdu | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.740 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.739 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.738 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.734 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.734 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.731 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.729 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.729 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.726 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.726 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.725 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.725 | |
| 4pvd | NDP | NADPH-dependent methylglyoxal reductase GRE2 | / | 0.725 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.724 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.723 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.722 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.719 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.717 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.716 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.716 | |
| 4wec | NAD | Short chain dehydrogenase | / | 0.716 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.712 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.712 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.712 | |
| 2pzj | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.711 | |
| 3o26 | NDP | Salutaridine reductase | / | 0.711 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.711 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.710 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.709 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.708 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.708 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.707 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.707 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.707 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.707 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.707 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.707 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.706 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.704 | |
| 2hrb | NAP | Carbonyl reductase [NADPH] 3 | 1.1.1.184 | 0.704 | |
| 2q1t | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.704 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.703 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.703 | |
| 1w8d | NAP | 2,4-dienoyl-CoA reductase, mitochondrial | 1.3.1.34 | 0.702 | |
| 2b35 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.701 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.699 | |
| 5d2e | NAP | MlnE | / | 0.698 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.697 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.696 | |
| 4o0l | NDP | NADPH-dependent 3-quinuclidinone reductase | / | 0.696 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.695 | |
| 2q1u | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.695 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.695 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.695 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.694 | |
| 3mje | NDP | AmphB | / | 0.692 | |
| 1n7g | NDP | GDP-mannose 4,6 dehydratase 2 | 4.2.1.47 | 0.691 | |
| 1sny | NAP | LD36273p | / | 0.691 | |
| 1w73 | NAP | 2,4-dienoyl-CoA reductase, mitochondrial | 1.3.1.34 | 0.690 | |
| 2bgm | NAJ | Secoisolariciresinol dehydrogenase | 1.1.1.331 | 0.690 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.689 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.688 | |
| 3of2 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.688 | |
| 3oey | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.687 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.687 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.686 | |
| 3o03 | NAP | Dehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) | / | 0.686 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.686 | |
| 2b4q | NAP | Rhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.684 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.684 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.683 | |
| 3sju | NDP | Keto reductase | / | 0.681 | |
| 5b1y | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.681 | |
| 4ej0 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.680 | |
| 1b2l | NDC | Alcohol dehydrogenase | 1.1.1.1 | 0.679 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.679 | |
| 2c59 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.679 | |
| 4hxy | NDP | Plm1 | / | 0.679 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.679 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.677 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.677 | |
| 4bii | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.676 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.675 | |
| 2ztu | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.675 | |
| 3rue | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.674 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.674 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.673 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.673 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.673 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.673 | |
| 2aq8 | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.672 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.672 | |
| 3oew | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.672 | |
| 3ruh | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.672 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.672 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.671 | |
| 5koi | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.671 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.670 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.670 | |
| 3lu1 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.670 | |
| 3sxp | NAD | ADP-L-glycero-D-mannoheptose-6-epimerase | / | 0.670 | |
| 1bdb | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | / | 0.669 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.669 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.669 | |
| 1fk8 | NAD | 3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase | 1.1.1.50 | 0.668 | |
| 4zju | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.668 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.667 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.667 | |
| 4qed | NAP | ElxO | / | 0.667 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.666 | |
| 2yw9 | NAP | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.664 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.664 | |
| 2y99 | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | 1.3.1.56 | 0.663 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.663 | |
| 4lis | NAD | UDP-glucose 4-epimerase (Eurofung) | / | 0.663 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.662 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.662 | |
| 4egb | NAD | dTDP-glucose 4,6-dehydratase | / | 0.660 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.660 | |
| 3aw9 | NAD | NAD-dependent epimerase/dehydratase | / | 0.659 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.658 | |
| 3ru7 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.658 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.658 | |
| 1kvr | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.657 | |
| 2p5y | NAD | UDP-glucose 4-epimerase | / | 0.657 | |
| 1u7t | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.656 | |
| 3geg | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.656 | |
| 3ko8 | NAD | NAD-dependent epimerase/dehydratase | / | 0.656 | |
| 3uce | NDP | Dehydrogenase | / | 0.655 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.655 | |
| 2nnl | NAP | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.654 | |
| 3icp | NAD | NAD-dependent epimerase/dehydratase | / | 0.654 | |
| 4u7w | NDP | MxaA | / | 0.654 | |
| 4bgi | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.653 | |
| 2ie0 | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.650 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.650 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.650 |