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 |
|---|---|---|---|
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Mode Similarity |
Align |
|---|---|---|---|---|---|
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 1.367 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 1.109 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 1.036 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 1.029 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.986 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.944 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.926 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.926 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.922 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.905 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.901 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.899 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.899 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.893 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.889 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.880 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.872 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.870 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.860 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.859 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.854 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.854 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.849 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.849 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.844 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.844 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.840 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.840 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.835 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.834 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.834 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.832 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.829 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.828 | |
| 3o26 | NDP | Salutaridine reductase | / | 0.824 | |
| 4o0l | NDP | NADPH-dependent 3-quinuclidinone reductase | / | 0.824 | |
| 4wec | NAD | Short chain dehydrogenase | / | 0.822 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.821 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.821 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.816 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.810 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.810 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.807 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.801 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.799 | |
| 3sju | NDP | Keto reductase | / | 0.796 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.795 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.795 | |
| 1b14 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.794 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.793 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.793 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.792 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.792 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.790 | |
| 1kvr | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.789 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.789 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.789 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.787 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.786 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.785 | |
| 4qed | NAP | ElxO | / | 0.785 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.785 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.784 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.784 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.782 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.781 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.781 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.780 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.779 | |
| 2q1w | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.777 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.773 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.772 | |
| 2hrb | NAP | Carbonyl reductase [NADPH] 3 | 1.1.1.184 | 0.771 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.770 | |
| 4zju | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.768 | |
| 5bt9 | NAP | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.768 | |
| 3r3s | NAD | Putative oxidoreductase | / | 0.766 | |
| 1bdb | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | / | 0.765 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.765 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.765 | |
| 1i3l | NAD | UDP-glucose 4-epimerase | / | 0.764 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.762 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.761 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.761 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.760 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.760 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.759 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.758 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.757 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.757 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.755 | |
| 2ztu | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.754 | |
| 4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.753 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.752 | |
| 3rud | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.751 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.750 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.749 | |
| 3ruf | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.749 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.748 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.747 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.747 | |
| 1qyv | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.746 | |
| 3lu1 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.746 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.746 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.745 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.745 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.743 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.743 | |
| 1b2l | NDC | Alcohol dehydrogenase | 1.1.1.1 | 0.741 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.741 | |
| 3rua | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.741 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.739 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.739 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.738 | |
| 1iy8 | NAD | Levodione reductase | / | 0.736 | |
| 3ru7 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.736 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.736 | |
| 5d2e | NAP | MlnE | / | 0.736 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.735 | |
| 3rue | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.735 | |
| 3ruc | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.734 | |
| 3sj7 | NDP | 3-oxoacyl-(Acyl-carrier-protein) reductase, putative | / | 0.734 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.733 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.732 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.730 | |
| 3ko8 | NAD | NAD-dependent epimerase/dehydratase | / | 0.729 | |
| 4hxy | NDP | Plm1 | / | 0.729 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.726 | |
| 2p5y | NAD | UDP-glucose 4-epimerase | / | 0.724 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.723 | |
| 4k6f | NAP | Putative Acetoacetyl-CoA reductase | / | 0.722 | |
| 2q1t | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.721 | |
| 3bmo | NAP | Pteridine reductase | / | 0.719 | |
| 1fdu | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.717 | |
| 4o1m | NAD | Enoyl-acyl carrier reductase | / | 0.716 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.715 | |
| 3ru9 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.715 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.715 | |
| 4pvd | NDP | NADPH-dependent methylglyoxal reductase GRE2 | / | 0.715 | |
| 3mje | NDP | AmphB | / | 0.714 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.713 | |
| 4clo | NAP | Pteridine reductase | / | 0.713 | |
| 4ej0 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.709 | |
| 2y99 | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | 1.3.1.56 | 0.708 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.707 | |
| 1rkx | NAD | CDP-D-glucose-4,6-dehydratase | / | 0.706 | |
| 2yw9 | NAP | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.705 | |
| 2z1m | NDP | GDP-mannose 4,6-dehydratase | / | 0.705 | |
| 3oew | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.705 | |
| 4idg | NAD | Putative UDP-glucose 4-epimerase | / | 0.704 | |
| 3icp | NAD | NAD-dependent epimerase/dehydratase | / | 0.703 | |
| 2pr2 | DG1 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.702 | |
| 3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.701 | |
| 1i2b | NAD | UDP-sulfoquinovose synthase, chloroplastic | 3.13.1.1 | 0.700 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.698 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.698 | |
| 4gll | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.698 | |
| 3aut | NAI | Glucose 1-dehydrogenase 4 | 1.1.1.47 | 0.696 | |
| 2b4q | NAP | Rhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.694 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.693 | |
| 3ruh | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.693 | |
| 1bxk | NAD | dTDP-glucose 4,6-dehydratase 2 | / | 0.691 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.691 | |
| 1enz | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.689 | |
| 1nah | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.689 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.689 | |
| 2bgm | NAJ | Secoisolariciresinol dehydrogenase | 1.1.1.331 | 0.686 | |
| 4hbg | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.686 | |
| 2ntj | P1H | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.685 | |
| 1rpn | NDP | GDP-mannose 4,6-dehydratase | / | 0.683 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.683 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.682 | |
| 1orr | NAD | CDP-paratose 2-epimerase | / | 0.681 | |
| 1p44 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.680 | |
| 1sny | NAP | LD36273p | / | 0.680 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.680 | |
| 2ggs | NDP | dTDP-4-dehydrorhamnose reductase | / | 0.678 | |
| 5b1y | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.677 | |
| 3ajr | NAD | NDP-sugar epimerase | / | 0.676 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.674 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.674 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.674 | |
| 1eny | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.672 | |
| 3of2 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.672 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.671 | |
| 1n7g | NDP | GDP-mannose 4,6 dehydratase 2 | 4.2.1.47 | 0.670 | |
| 3sxp | NAD | ADP-L-glycero-D-mannoheptose-6-epimerase | / | 0.670 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.669 | |
| 2gn8 | NAP | UDP-N-acetylglucosamine 4,6-dehydratase (inverting) | 4.2.1.115 | 0.669 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.667 | |
| 4qec | NAP | ElxO | / | 0.667 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.666 | |
| 1u7t | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.666 | |
| 4m55 | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.666 | |
| 1hdo | NAP | Flavin reductase (NADPH) | / | 0.663 | |
| 4kwh | NAP | Reductase homolog | / | 0.663 | |
| 4u7w | NDP | MxaA | / | 0.662 | |
| 1wvg | APR | CDP-glucose 4,6-dehydratase | 4.2.1.45 | 0.661 | |
| 2h9i | EAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.660 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.660 | |
| 3uce | NDP | Dehydrogenase | / | 0.660 | |
| 4lk3 | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.660 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.658 | |
| 3orf | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.658 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.657 | |
| 2ieb | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.656 | |
| 5jy1 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.655 | |
| 1w8d | NAP | 2,4-dienoyl-CoA reductase, mitochondrial | 1.3.1.34 | 0.654 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.653 | |
| 3o03 | NAP | Dehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) | / | 0.653 | |
| 2q1s | NAI | Putative nucleotide sugar epimerase/ dehydratase | / | 0.652 | |
| 2x86 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.652 | |
| 4bgi | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.652 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.651 |