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 |
|---|---|---|---|
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] |
| PDB ID | HET | Uniprot Name | EC Number | Binding Mode Similarity |
Align |
|---|---|---|---|---|---|
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 1.185 | |
| 5koi | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 1.089 | |
| 4zju | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 1.042 | |
| 3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 1.012 | |
| 4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.996 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.921 | |
| 2idz | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.916 | |
| 2ieb | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.911 | |
| 4bqp | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.903 | |
| 3oey | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.898 | |
| 3of2 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.898 | |
| 3oew | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.887 | |
| 2aqk | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.882 | |
| 2aq8 | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.877 | |
| 2aqi | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.860 | |
| 4trn | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.853 | |
| 2ie0 | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.849 | |
| 4dre | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.849 | |
| 3r3s | NAD | Putative oxidoreductase | / | 0.848 | |
| 2nv6 | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.842 | |
| 4dti | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.838 | |
| 4dqu | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.833 | |
| 2b35 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.829 | |
| 1vrw | NAI | Enoyl-ACP reductase | / | 0.824 | |
| 2aqh | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.823 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.823 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.821 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.820 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.820 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.810 | |
| 2h9i | EAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.804 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.802 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.801 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.801 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.798 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.796 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.795 | |
| 2ntv | P1H | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.787 | |
| 3sju | NDP | Keto reductase | / | 0.787 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.785 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.783 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.783 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.783 | |
| 4kwh | NAP | Reductase homolog | / | 0.780 | |
| 1eny | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.778 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.777 | |
| 4bii | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.777 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.773 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.770 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.769 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.767 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.767 | |
| 4pvd | NDP | NADPH-dependent methylglyoxal reductase GRE2 | / | 0.767 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.765 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.763 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.761 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.760 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.759 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.757 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.757 | |
| 2yw9 | NAP | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.756 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.755 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.755 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.750 | |
| 4o0l | NDP | NADPH-dependent 3-quinuclidinone reductase | / | 0.749 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.748 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.748 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.747 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.746 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.746 | |
| 2c29 | NAP | Dihydroflavonol 4-reductase | / | 0.745 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.745 | |
| 4o1m | NAD | Enoyl-acyl carrier reductase | / | 0.744 | |
| 1fdu | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.742 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.740 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.740 | |
| 3o26 | NDP | Salutaridine reductase | / | 0.740 | |
| 2p5y | NAD | UDP-glucose 4-epimerase | / | 0.737 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.737 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.736 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.736 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.730 | |
| 2nq8 | ZID | Enoyl-ACP reductase | / | 0.730 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.728 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.727 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.727 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.726 | |
| 1bdb | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | / | 0.726 | |
| 4qec | NAP | ElxO | / | 0.726 | |
| 4bgi | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.725 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.723 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.723 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.722 | |
| 1enz | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.722 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.721 | |
| 2pr2 | DG1 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.721 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.721 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.721 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.720 | |
| 3ruc | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.720 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.720 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.720 | |
| 2c59 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.719 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.718 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.717 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.716 | |
| 3h4v | NAP | Pteridine reductase 1 | 1.5.1.33 | 0.716 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.715 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.715 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.714 | |
| 2ntj | P1H | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.714 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.713 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.713 | |
| 3geg | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.712 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.712 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.712 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.711 | |
| 2q1s | NAI | Putative nucleotide sugar epimerase/ dehydratase | / | 0.711 | |
| 4clo | NAP | Pteridine reductase | / | 0.710 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.709 | |
| 3o03 | NAP | Dehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) | / | 0.708 | |
| 5d2e | NAP | MlnE | / | 0.708 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.706 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.706 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.704 | |
| 2ztu | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.704 | |
| 4qed | NAP | ElxO | / | 0.703 | |
| 2q1w | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.702 | |
| 1p44 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.701 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.701 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.700 | |
| 4wec | NAD | Short chain dehydrogenase | / | 0.700 | |
| 3icp | NAD | NAD-dependent epimerase/dehydratase | / | 0.697 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.696 | |
| 3ruf | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.696 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.695 | |
| 3bmo | NAP | Pteridine reductase | / | 0.695 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.694 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.692 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.692 | |
| 4eue | NAI | Trans-2-enoyl-CoA reductase [NADH] | / | 0.692 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.691 | |
| 1b2l | NDC | Alcohol dehydrogenase | 1.1.1.1 | 0.690 | |
| 1i2b | NAD | UDP-sulfoquinovose synthase, chloroplastic | 3.13.1.1 | 0.690 | |
| 1v35 | NAI | Enoyl-ACP reductase | / | 0.690 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.690 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.687 | |
| 4hxy | NDP | Plm1 | / | 0.685 | |
| 4qxm | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.685 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.685 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.684 | |
| 1sny | NAP | LD36273p | / | 0.683 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.683 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.683 | |
| 2b36 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.681 | |
| 2q1t | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.681 | |
| 3ko8 | NAD | NAD-dependent epimerase/dehydratase | / | 0.680 | |
| 2x6t | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.679 | |
| 2pzj | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.676 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.675 | |
| 2q1u | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.672 | |
| 3rua | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.672 | |
| 3zu2 | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.672 | |
| 4bkq | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.672 | |
| 3ru9 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.671 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.671 | |
| 1kvr | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.670 | |
| 3ru7 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.670 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.670 | |
| 4ej0 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.670 | |
| 1b14 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.669 | |
| 3lu1 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.669 | |
| 4b8z | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.668 | |
| 2bgm | NAJ | Secoisolariciresinol dehydrogenase | 1.1.1.331 | 0.667 | |
| 3sxp | NAD | ADP-L-glycero-D-mannoheptose-6-epimerase | / | 0.665 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.665 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.662 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.661 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.660 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.658 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.658 | |
| 4gll | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.658 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.658 | |
| 1zid | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.656 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.656 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.655 | |
| 3aut | NAI | Glucose 1-dehydrogenase 4 | 1.1.1.47 | 0.654 | |
| 1ek5 | NAD | UDP-glucose 4-epimerase | / | 0.653 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.653 | |
| 5jy1 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.653 | |
| 1i36 | NAP | Conserved protein | / | 0.652 | |
| 2y99 | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | 1.3.1.56 | 0.652 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.651 |