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 |
|---|---|---|---|
| 1w73 | NAP | 2,4-dienoyl-CoA reductase, mitochondrial | 1.3.1.34 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Mode Similarity |
Align |
|---|---|---|---|---|---|
| 1w73 | NAP | 2,4-dienoyl-CoA reductase, mitochondrial | 1.3.1.34 | 1.309 | |
| 1w8d | NAP | 2,4-dienoyl-CoA reductase, mitochondrial | 1.3.1.34 | 1.078 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.881 | |
| 3uce | NDP | Dehydrogenase | / | 0.811 | |
| 4l4x | NDP | AmphI | / | 0.810 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.803 | |
| 4hxy | NDP | Plm1 | / | 0.802 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.800 | |
| 2ggs | NDP | dTDP-4-dehydrorhamnose reductase | / | 0.798 | |
| 3bmo | NAP | Pteridine reductase | / | 0.794 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.792 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.791 | |
| 3sj7 | NDP | 3-oxoacyl-(Acyl-carrier-protein) reductase, putative | / | 0.790 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.785 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.784 | |
| 2hrb | NAP | Carbonyl reductase [NADPH] 3 | 1.1.1.184 | 0.783 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.777 | |
| 2c54 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.773 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.772 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.772 | |
| 3ehe | NAD | UDP-glucose 4-epimerase (GalE-1) | / | 0.771 | |
| 4b8z | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.770 | |
| 4tqg | NDP | Putative dTDP-d-glucose 4 6-dehydratase | / | 0.768 | |
| 5bt9 | NAP | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.765 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.762 | |
| 4clo | NAP | Pteridine reductase | / | 0.762 | |
| 3h4v | NAP | Pteridine reductase 1 | 1.5.1.33 | 0.759 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.757 | |
| 2p5y | NAD | UDP-glucose 4-epimerase | / | 0.757 | |
| 2bfo | NDP | Pteridine reductase 1 | 1.5.1.33 | 0.755 | |
| 3sxp | NAD | ADP-L-glycero-D-mannoheptose-6-epimerase | / | 0.751 | |
| 3u4c | NDP | NADPH-dependent reductase BacG | / | 0.750 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.749 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.748 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.748 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.747 | |
| 2gn8 | NAP | UDP-N-acetylglucosamine 4,6-dehydratase (inverting) | 4.2.1.115 | 0.745 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.742 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.742 | |
| 4k6f | NAP | Putative Acetoacetyl-CoA reductase | / | 0.741 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.740 | |
| 2q1t | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.738 | |
| 5d2e | NAP | MlnE | / | 0.738 | |
| 3o03 | NAP | Dehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) | / | 0.737 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.737 | |
| 4u7w | NDP | MxaA | / | 0.737 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.736 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.735 | |
| 1n2s | NAI | dTDP-4-dehydrorhamnose reductase | 1.1.1.133 | 0.734 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.734 | |
| 4lis | NAD | UDP-glucose 4-epimerase (Eurofung) | / | 0.734 | |
| 1p44 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.733 | |
| 1rpn | NDP | GDP-mannose 4,6-dehydratase | / | 0.732 | |
| 2c59 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.731 | |
| 3aw9 | NAD | NAD-dependent epimerase/dehydratase | / | 0.731 | |
| 3lu1 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.731 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.730 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.729 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.727 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.724 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.723 | |
| 3o26 | NDP | Salutaridine reductase | / | 0.723 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.722 | |
| 4kwh | NAP | Reductase homolog | / | 0.722 | |
| 2pk3 | A2R | GDP-6-deoxy-D-mannose reductase | / | 0.721 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.719 | |
| 5jy1 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.719 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.718 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.717 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.716 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.714 | |
| 2hun | NAD | 336aa long hypothetical dTDP-glucose 4,6-dehydratase | / | 0.714 | |
| 2pzj | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.714 | |
| 1n7h | NDP | GDP-mannose 4,6 dehydratase 2 | 4.2.1.47 | 0.713 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.713 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.713 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.713 | |
| 2c29 | NAP | Dihydroflavonol 4-reductase | / | 0.712 | |
| 4j1t | NAP | NAD(P) transhydrogenase subunit beta | / | 0.712 | |
| 2aq8 | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.711 | |
| 3icp | NAD | NAD-dependent epimerase/dehydratase | / | 0.711 | |
| 3of2 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.711 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.711 | |
| 2ie0 | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.709 | |
| 4e5y | NDP | GDP-L-fucose synthase | 1.1.1.271 | 0.708 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.707 | |
| 2nv6 | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.706 | |
| 2pr2 | DG1 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.706 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.706 | |
| 4imp | NDP | Polyketide synthase extender modules 3-4 | / | 0.706 | |
| 3aut | NAI | Glucose 1-dehydrogenase 4 | 1.1.1.47 | 0.704 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.704 | |
| 4hbg | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.704 | |
| 1n7g | NDP | GDP-mannose 4,6 dehydratase 2 | 4.2.1.47 | 0.703 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.703 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.703 | |
| 1rkx | NAD | CDP-D-glucose-4,6-dehydratase | / | 0.702 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.702 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.701 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.701 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.701 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.701 | |
| 2q1w | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.700 | |
| 2z95 | NDP | GDP-mannose 4,6-dehydratase | / | 0.700 | |
| 3rua | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.700 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.700 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.699 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.699 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.698 | |
| 4lk3 | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.698 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.697 | |
| 3oew | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.697 | |
| 4b8w | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.697 | |
| 3pvz | NAD | UDP-N-acetylglucosamine 4,6-dehydratase | / | 0.696 | |
| 1pnq | NDP | NAD(P) transhydrogenase subunit beta | 1.6.1.2 | 0.695 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.695 | |
| 3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.695 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.695 | |
| 4dre | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.695 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.695 | |
| 4wec | NAD | Short chain dehydrogenase | / | 0.695 | |
| 3oey | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.692 | |
| 1qyv | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.690 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.690 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.690 | |
| 2ntv | P1H | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.689 | |
| 3rud | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.689 | |
| 2nnl | NAP | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.688 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.688 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.686 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.686 | |
| 3geg | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.686 | |
| 4n5n | NAP | Acetoacetyl-CoA reductase | 1.1.1.36 | 0.686 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.685 | |
| 4zju | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.685 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.684 | |
| 1pt9 | TAP | NAD(P) transhydrogenase, mitochondrial | 1.6.1.2 | 0.684 | |
| 3ko8 | NAD | NAD-dependent epimerase/dehydratase | / | 0.684 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.682 | |
| 2aqi | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.682 | |
| 1eny | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.681 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.681 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.680 | |
| 4dqu | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.680 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.679 | |
| 2z1m | NDP | GDP-mannose 4,6-dehydratase | / | 0.679 | |
| 3ru9 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.679 | |
| 4bii | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.679 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.679 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.678 | |
| 2ztu | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.678 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.678 | |
| 4id9 | NAD | Putative UDP-glucose 4-epimerase | / | 0.678 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.678 | |
| 1i2b | NAD | UDP-sulfoquinovose synthase, chloroplastic | 3.13.1.1 | 0.677 | |
| 1kc1 | NDP | dTDP-4-dehydrorhamnose reductase | 1.1.1.133 | 0.677 | |
| 1t2a | NDP | GDP-mannose 4,6 dehydratase | 4.2.1.47 | 0.677 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.676 | |
| 3mje | NDP | AmphB | / | 0.676 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.674 | |
| 3a9w | NAD | NDP-sugar epimerase | / | 0.674 | |
| 3ru7 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.674 | |
| 4egb | NAD | dTDP-glucose 4,6-dehydratase | / | 0.674 | |
| 2aqh | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.673 | |
| 2b69 | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.673 | |
| 2y99 | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | 1.3.1.56 | 0.672 | |
| 4dti | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.672 | |
| 1sny | NAP | LD36273p | / | 0.671 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.671 | |
| 2jkv | NAP | 6-phosphogluconate dehydrogenase, decarboxylating | 1.1.1.44 | 0.671 | |
| 4trn | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.671 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.670 | |
| 5koi | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.670 | |
| 3ruh | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.669 | |
| 3ruf | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.668 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.667 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.666 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.666 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.666 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.666 | |
| 1xq6 | NAP | Uncharacterized protein At5g02240 | / | 0.665 | |
| 2aqk | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.665 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.665 | |
| 3sju | NDP | Keto reductase | / | 0.665 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.665 | |
| 2yw9 | NAP | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.664 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.664 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.663 | |
| 2b4q | NAP | Rhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.663 | |
| 2gcg | NDP | Glyoxylate reductase/hydroxypyruvate reductase | 1.1.1.79 | 0.663 | |
| 2q1u | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.663 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.663 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.663 | |
| 4m55 | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.662 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.660 | |
| 5b1y | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.659 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.658 | |
| 3ruc | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.657 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.657 | |
| 3gwd | NAP | Cyclohexanone monooxygenase | / | 0.656 | |
| 1u31 | NDP | NAD(P) transhydrogenase, mitochondrial | 1.6.1.2 | 0.655 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.654 | |
| 4b4o | NDP | Epimerase family protein SDR39U1 | / | 0.653 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.653 | |
| 2v6g | NAP | 3-oxo-Delta(4,5)-steroid 5-beta-reductase | / | 0.652 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.651 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.651 | |
| 4bqp | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.650 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.650 |