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 |
|---|---|---|---|
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Binding Mode Similarity |
Align |
|---|---|---|---|---|---|
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 1.405 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 1.322 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 1.294 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 1.239 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 1.036 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.939 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.920 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.917 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.917 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.911 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.900 | |
| 4kwh | NAP | Reductase homolog | / | 0.897 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.896 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.887 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.880 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.879 | |
| 3o26 | NDP | Salutaridine reductase | / | 0.876 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.862 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.856 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.855 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.850 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.849 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.849 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.845 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.845 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.843 | |
| 3sju | NDP | Keto reductase | / | 0.837 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.835 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.833 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.832 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.829 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.828 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.827 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.824 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.821 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.819 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.818 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.815 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.815 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.814 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.813 | |
| 1sny | NAP | LD36273p | / | 0.812 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.810 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.810 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.809 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.807 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.807 | |
| 1fdu | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.804 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.804 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.803 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.801 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.801 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.799 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.796 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.795 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.792 | |
| 2hrb | NAP | Carbonyl reductase [NADPH] 3 | 1.1.1.184 | 0.791 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.791 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.788 | |
| 3aut | NAI | Glucose 1-dehydrogenase 4 | 1.1.1.47 | 0.785 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.784 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.784 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.784 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.783 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.781 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.780 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.779 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.778 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.778 | |
| 3geg | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.778 | |
| 4clo | NAP | Pteridine reductase | / | 0.777 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.776 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.775 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.775 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.773 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.771 | |
| 3r3s | NAD | Putative oxidoreductase | / | 0.771 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.769 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.769 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.768 | |
| 2q1w | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.768 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.767 | |
| 4qed | NAP | ElxO | / | 0.764 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.762 | |
| 4o0l | NDP | NADPH-dependent 3-quinuclidinone reductase | / | 0.762 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.761 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.760 | |
| 2bfo | NDP | Pteridine reductase 1 | 1.5.1.33 | 0.760 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.760 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.758 | |
| 1w8d | NAP | 2,4-dienoyl-CoA reductase, mitochondrial | 1.3.1.34 | 0.756 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.756 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.755 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.755 | |
| 4qec | NAP | ElxO | / | 0.753 | |
| 3bmo | NAP | Pteridine reductase | / | 0.752 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.751 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.751 | |
| 3ruc | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.751 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.750 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.750 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.750 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.749 | |
| 4wec | NAD | Short chain dehydrogenase | / | 0.749 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.747 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.747 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.747 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.746 | |
| 1qyv | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.745 | |
| 2b35 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.745 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.745 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.743 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.741 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.740 | |
| 3mje | NDP | AmphB | / | 0.738 | |
| 5b1y | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.735 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.734 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.734 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.733 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.732 | |
| 3sj7 | NDP | 3-oxoacyl-(Acyl-carrier-protein) reductase, putative | / | 0.730 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.729 | |
| 3sxp | NAD | ADP-L-glycero-D-mannoheptose-6-epimerase | / | 0.728 | |
| 4k6f | NAP | Putative Acetoacetyl-CoA reductase | / | 0.728 | |
| 1i3l | NAD | UDP-glucose 4-epimerase | / | 0.726 | |
| 4zju | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.726 | |
| 2q1t | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.725 | |
| 4ej0 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.725 | |
| 1bdb | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | / | 0.724 | |
| 3h4v | NAP | Pteridine reductase 1 | 1.5.1.33 | 0.722 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.720 | |
| 3ruf | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.718 | |
| 2q1u | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.716 | |
| 1rkx | NAD | CDP-D-glucose-4,6-dehydratase | / | 0.715 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.713 | |
| 4idg | NAD | Putative UDP-glucose 4-epimerase | / | 0.713 | |
| 4twr | NAD | NAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase | / | 0.712 | |
| 4pvd | NDP | NADPH-dependent methylglyoxal reductase GRE2 | / | 0.711 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.711 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.710 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.709 | |
| 2c29 | NAP | Dihydroflavonol 4-reductase | / | 0.709 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.709 | |
| 1eny | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.707 | |
| 1iy8 | NAD | Levodione reductase | / | 0.705 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.705 | |
| 5bt9 | NAP | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.705 | |
| 3ru9 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.704 | |
| 2idz | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.702 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.702 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.702 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.700 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.699 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.698 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.698 | |
| 1b14 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.697 | |
| 1n7g | NDP | GDP-mannose 4,6 dehydratase 2 | 4.2.1.47 | 0.696 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.696 | |
| 1kvr | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.693 | |
| 4bii | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.693 | |
| 1enz | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.692 | |
| 2ztu | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.692 | |
| 3icp | NAD | NAD-dependent epimerase/dehydratase | / | 0.690 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.689 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.686 | |
| 2x86 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.686 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.686 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.685 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.684 | |
| 3rud | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.682 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.682 | |
| 5d2e | NAP | MlnE | / | 0.682 | |
| 2b4q | NAP | Rhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.681 | |
| 2c54 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.681 | |
| 1rpn | NDP | GDP-mannose 4,6-dehydratase | / | 0.679 | |
| 5koi | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.679 | |
| 2ieb | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.678 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.678 | |
| 1kc1 | NDP | dTDP-4-dehydrorhamnose reductase | 1.1.1.133 | 0.676 | |
| 5jy1 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.675 | |
| 2ggs | NDP | dTDP-4-dehydrorhamnose reductase | / | 0.674 | |
| 4imp | NDP | Polyketide synthase extender modules 3-4 | / | 0.674 | |
| 2c20 | NAD | UDP-glucose 4-epimerase | / | 0.673 | |
| 2c59 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.673 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.673 | |
| 2x6t | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.671 | |
| 3uce | NDP | Dehydrogenase | / | 0.671 | |
| 4u7w | NDP | MxaA | / | 0.671 | |
| 2aq8 | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.669 | |
| 3a9w | NAD | NDP-sugar epimerase | / | 0.669 | |
| 4dre | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.669 | |
| 4dti | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.669 | |
| 4egb | NAD | dTDP-glucose 4,6-dehydratase | / | 0.668 | |
| 2bgm | NAJ | Secoisolariciresinol dehydrogenase | 1.1.1.331 | 0.666 | |
| 2pzj | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.666 | |
| 4hxy | NDP | Plm1 | / | 0.666 | |
| 4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.666 | |
| 1nai | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.665 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.664 | |
| 3oey | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.663 | |
| 3u4c | NDP | NADPH-dependent reductase BacG | / | 0.663 | |
| 2nnl | NAP | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.662 | |
| 4b8w | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.662 | |
| 3ajr | NAD | NDP-sugar epimerase | / | 0.661 | |
| 2y99 | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | 1.3.1.56 | 0.660 | |
| 3ehe | NAD | UDP-glucose 4-epimerase (GalE-1) | / | 0.660 | |
| 1eq2 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.659 | |
| 1t2a | NDP | GDP-mannose 4,6 dehydratase | 4.2.1.47 | 0.659 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.658 | |
| 4dqu | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.658 | |
| 4tqg | NDP | Putative dTDP-d-glucose 4 6-dehydratase | / | 0.657 | |
| 1u7t | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.656 | |
| 2p5y | NAD | UDP-glucose 4-epimerase | / | 0.656 | |
| 1n2s | NAI | dTDP-4-dehydrorhamnose reductase | 1.1.1.133 | 0.655 | |
| 2ie0 | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.655 | |
| 4lis | NAD | UDP-glucose 4-epimerase (Eurofung) | / | 0.654 | |
| 4trn | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.653 | |
| 1p44 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.652 | |
| 3ruh | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.651 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.650 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.650 | |
| 4b4o | NDP | Epimerase family protein SDR39U1 | / | 0.650 |