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 |
|---|---|---|---|
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Mode Similarity |
Align |
|---|---|---|---|---|---|
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 1.162 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.862 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.812 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.807 | |
| 4qec | NAP | ElxO | / | 0.805 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.797 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.782 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.777 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.770 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.769 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.763 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.761 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.760 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.759 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.759 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.758 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.758 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.756 | |
| 4wec | NAD | Short chain dehydrogenase | / | 0.746 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.745 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.742 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.742 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.741 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.739 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.738 | |
| 3ruf | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.738 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.737 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.736 | |
| 4qed | NAP | ElxO | / | 0.735 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.734 | |
| 4lis | NAD | UDP-glucose 4-epimerase (Eurofung) | / | 0.733 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.731 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.729 | |
| 3ru7 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.729 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.728 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.726 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.725 | |
| 4kwh | NAP | Reductase homolog | / | 0.725 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.724 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.724 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.723 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.722 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.722 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.721 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.720 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.720 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.719 | |
| 2q1t | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.718 | |
| 1qyv | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.717 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.717 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.716 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.715 | |
| 2c29 | NAP | Dihydroflavonol 4-reductase | / | 0.714 | |
| 3r3s | NAD | Putative oxidoreductase | / | 0.714 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.714 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.711 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.711 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.711 | |
| 3sju | NDP | Keto reductase | / | 0.711 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.710 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.710 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.710 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.709 | |
| 1rkx | NAD | CDP-D-glucose-4,6-dehydratase | / | 0.709 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.709 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.709 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.708 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.708 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.706 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.705 | |
| 3o03 | NAP | Dehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) | / | 0.705 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.704 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.704 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.704 | |
| 4l4x | NDP | AmphI | / | 0.704 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.703 | |
| 5b1y | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.703 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.702 | |
| 3geg | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.702 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.702 | |
| 3ruh | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.701 | |
| 3rud | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.700 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.700 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.699 | |
| 3sxp | NAD | ADP-L-glycero-D-mannoheptose-6-epimerase | / | 0.698 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.698 | |
| 2bgm | NAJ | Secoisolariciresinol dehydrogenase | 1.1.1.331 | 0.696 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.696 | |
| 3rua | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.696 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.695 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.695 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.694 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.693 | |
| 2q1w | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.693 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.692 | |
| 2b69 | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.692 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.692 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.692 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.690 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.690 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.690 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.690 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.689 | |
| 2c59 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.688 | |
| 4e5y | NDP | GDP-L-fucose synthase | 1.1.1.271 | 0.687 | |
| 4k6f | NAP | Putative Acetoacetyl-CoA reductase | / | 0.687 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.686 | |
| 4zju | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.686 | |
| 2p5y | NAD | UDP-glucose 4-epimerase | / | 0.685 | |
| 3tri | NAP | Pyrroline-5-carboxylate reductase | / | 0.685 | |
| 4yac | NAI | C alpha-dehydrogenase | / | 0.685 | |
| 1orr | NAD | CDP-paratose 2-epimerase | / | 0.684 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.683 | |
| 3ruc | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.683 | |
| 5bt9 | NAP | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.683 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.683 | |
| 1i3l | NAD | UDP-glucose 4-epimerase | / | 0.682 | |
| 1u7t | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.682 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.681 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.681 | |
| 3o26 | NDP | Salutaridine reductase | / | 0.681 | |
| 3ru9 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.681 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.681 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.681 | |
| 2q1u | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.680 | |
| 2z95 | NDP | GDP-mannose 4,6-dehydratase | / | 0.680 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.679 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.679 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.678 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.678 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.677 | |
| 3oey | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.677 | |
| 4ej0 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.677 | |
| 4o0l | NDP | NADPH-dependent 3-quinuclidinone reductase | / | 0.677 | |
| 1p44 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.676 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.676 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.676 | |
| 1fk8 | NAD | 3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase | 1.1.1.50 | 0.675 | |
| 1rpn | NDP | GDP-mannose 4,6-dehydratase | / | 0.675 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.675 | |
| 4b4o | NDP | Epimerase family protein SDR39U1 | / | 0.675 | |
| 1ek5 | NAD | UDP-glucose 4-epimerase | / | 0.673 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.672 | |
| 1b14 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.671 | |
| 2ggs | NDP | dTDP-4-dehydrorhamnose reductase | / | 0.671 | |
| 2b4q | NAP | Rhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.670 | |
| 2c54 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.670 | |
| 2hrb | NAP | Carbonyl reductase [NADPH] 3 | 1.1.1.184 | 0.670 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.670 | |
| 4b8z | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.670 | |
| 4hbg | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.670 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.670 | |
| 1sny | NAP | LD36273p | / | 0.669 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.669 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.669 | |
| 3sj7 | NDP | 3-oxoacyl-(Acyl-carrier-protein) reductase, putative | / | 0.667 | |
| 4gll | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.667 | |
| 5jy1 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.667 | |
| 1w73 | NAP | 2,4-dienoyl-CoA reductase, mitochondrial | 1.3.1.34 | 0.666 | |
| 1w8d | NAP | 2,4-dienoyl-CoA reductase, mitochondrial | 1.3.1.34 | 0.665 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.665 | |
| 3ko8 | NAD | NAD-dependent epimerase/dehydratase | / | 0.665 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.664 | |
| 2bgl | NAJ | Secoisolariciresinol dehydrogenase | 1.1.1.331 | 0.663 | |
| 2x6t | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.663 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.663 | |
| 1enz | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.662 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.662 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.661 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.661 | |
| 1kvr | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.660 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.660 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.659 | |
| 2gn8 | NAP | UDP-N-acetylglucosamine 4,6-dehydratase (inverting) | 4.2.1.115 | 0.659 | |
| 2x86 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.659 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.658 | |
| 1nai | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.657 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.657 | |
| 4bii | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.657 | |
| 4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.657 | |
| 3icp | NAD | NAD-dependent epimerase/dehydratase | / | 0.656 | |
| 4idg | NAD | Putative UDP-glucose 4-epimerase | / | 0.656 | |
| 3h3j | NAD | L-lactate dehydrogenase 1 | 1.1.1.27 | 0.655 | |
| 2y99 | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | 1.3.1.56 | 0.654 | |
| 3of2 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.654 | |
| 3orf | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.654 | |
| 4i3v | NAD | Aldehyde dehydrogenase (NAD+) | / | 0.654 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.653 | |
| 3lu1 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.653 | |
| 2pr2 | DG1 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.652 | |
| 3a9w | NAD | NDP-sugar epimerase | / | 0.652 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.652 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.652 | |
| 2ztu | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.651 | |
| 1bdb | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | / | 0.650 | |
| 4egb | NAD | dTDP-glucose 4,6-dehydratase | / | 0.650 |