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 |
|---|---|---|---|
| 1xkq | NDP | Uncharacterized protein |
| PDB ID | HET | Uniprot Name | EC Number | Binding Mode Similarity |
Align |
|---|---|---|---|---|---|
| 1xkq | NDP | Uncharacterized protein | / | 1.285 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.865 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.849 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.831 | |
| 3o26 | NDP | Salutaridine reductase | / | 0.823 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.819 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.816 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.814 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.812 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.811 | |
| 4kwh | NAP | Reductase homolog | / | 0.809 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.806 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.802 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.794 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.792 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.792 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.785 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.784 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.783 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.782 | |
| 3geg | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.781 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.781 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.779 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.778 | |
| 1fdu | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.775 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.773 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.769 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.768 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.768 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.768 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.766 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.766 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.765 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.764 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.763 | |
| 2b4q | NAP | Rhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.763 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.763 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.762 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.762 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.759 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.758 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.758 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.757 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.756 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.755 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.754 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.751 | |
| 4o0l | NDP | NADPH-dependent 3-quinuclidinone reductase | / | 0.751 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.750 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.750 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.750 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.748 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.747 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.746 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.745 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.745 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.743 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.742 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.741 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.741 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.741 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.740 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.738 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.736 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.736 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.735 | |
| 4pvd | NDP | NADPH-dependent methylglyoxal reductase GRE2 | / | 0.735 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.733 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.732 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.732 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.731 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.730 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.728 | |
| 2hrb | NAP | Carbonyl reductase [NADPH] 3 | 1.1.1.184 | 0.725 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.725 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.724 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.723 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.721 | |
| 1w8d | NAP | 2,4-dienoyl-CoA reductase, mitochondrial | 1.3.1.34 | 0.721 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.720 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.720 | |
| 2c29 | NAP | Dihydroflavonol 4-reductase | / | 0.719 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.718 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.717 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.715 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.713 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.709 | |
| 3bmo | NAP | Pteridine reductase | / | 0.708 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.708 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.707 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.707 | |
| 2idz | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.706 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.706 | |
| 4qed | NAP | ElxO | / | 0.706 | |
| 1bdb | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | / | 0.705 | |
| 2ztu | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.705 | |
| 4k6f | NAP | Putative Acetoacetyl-CoA reductase | / | 0.705 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.704 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.702 | |
| 2nnl | NAP | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.702 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.701 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.701 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.701 | |
| 1sny | NAP | LD36273p | / | 0.697 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.695 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.694 | |
| 2c59 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.693 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.693 | |
| 3h4v | NAP | Pteridine reductase 1 | 1.5.1.33 | 0.692 | |
| 4qec | NAP | ElxO | / | 0.692 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.691 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.691 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.691 | |
| 2bfo | NDP | Pteridine reductase 1 | 1.5.1.33 | 0.690 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.690 | |
| 2bgm | NAJ | Secoisolariciresinol dehydrogenase | 1.1.1.331 | 0.688 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.688 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.687 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.687 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.687 | |
| 1qyv | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.686 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.686 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.686 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.685 | |
| 3ruc | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.685 | |
| 3r3s | NAD | Putative oxidoreductase | / | 0.684 | |
| 3sj7 | NDP | 3-oxoacyl-(Acyl-carrier-protein) reductase, putative | / | 0.680 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.678 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.678 | |
| 4hbg | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.678 | |
| 1ahh | NAD | 7-alpha-hydroxysteroid dehydrogenase | 1.1.1.159 | 0.676 | |
| 1w73 | NAP | 2,4-dienoyl-CoA reductase, mitochondrial | 1.3.1.34 | 0.676 | |
| 4dqu | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.673 | |
| 2bgl | NAJ | Secoisolariciresinol dehydrogenase | 1.1.1.331 | 0.672 | |
| 2ie0 | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.672 | |
| 4wec | NAD | Short chain dehydrogenase | / | 0.672 | |
| 2nv6 | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.671 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.670 | |
| 3aut | NAI | Glucose 1-dehydrogenase 4 | 1.1.1.47 | 0.670 | |
| 4tqg | NDP | Putative dTDP-d-glucose 4 6-dehydratase | / | 0.670 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.669 | |
| 2q1t | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.668 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.667 | |
| 1ek5 | NAD | UDP-glucose 4-epimerase | / | 0.665 | |
| 1vrw | NAI | Enoyl-ACP reductase | / | 0.665 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.665 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.665 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.662 | |
| 4dti | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.662 | |
| 1u7t | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.660 | |
| 4bqp | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.660 | |
| 4clo | NAP | Pteridine reductase | / | 0.660 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.660 | |
| 1n7g | NDP | GDP-mannose 4,6 dehydratase 2 | 4.2.1.47 | 0.657 | |
| 4b8w | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.657 | |
| 4hxy | NDP | Plm1 | / | 0.657 | |
| 4imp | NDP | Polyketide synthase extender modules 3-4 | / | 0.657 | |
| 2aqi | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.656 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.656 | |
| 3icp | NAD | NAD-dependent epimerase/dehydratase | / | 0.654 | |
| 3o03 | NAP | Dehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) | / | 0.653 | |
| 3of2 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.653 | |
| 1b2l | NDC | Alcohol dehydrogenase | 1.1.1.1 | 0.652 | |
| 1eny | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.652 | |
| 2p5y | NAD | UDP-glucose 4-epimerase | / | 0.652 | |
| 2y99 | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | 1.3.1.56 | 0.652 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.652 | |
| 5b1y | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.652 | |
| 4ej0 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.651 | |
| 5bt9 | NAP | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.651 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.650 |