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 |
|---|---|---|---|
| 5jy1 | NAD | Putative short-chain dehydrogenase/reductase |
| PDB ID | HET | Uniprot Name | EC Number | Binding Mode Similarity |
Align |
|---|---|---|---|---|---|
| 5jy1 | NAD | Putative short-chain dehydrogenase/reductase | / | 1.107 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.792 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.786 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.781 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.776 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.772 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.762 | |
| 4ej0 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.761 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.757 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.755 | |
| 4kwh | NAP | Reductase homolog | / | 0.753 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.749 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.748 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.748 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.748 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.746 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.744 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.743 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.740 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.739 | |
| 4wec | NAD | Short chain dehydrogenase | / | 0.739 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.738 | |
| 3bmo | NAP | Pteridine reductase | / | 0.737 | |
| 3aw9 | NAD | NAD-dependent epimerase/dehydratase | / | 0.736 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.733 | |
| 3icp | NAD | NAD-dependent epimerase/dehydratase | / | 0.731 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.728 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.728 | |
| 2b4q | NAP | Rhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.727 | |
| 3a9w | NAD | NDP-sugar epimerase | / | 0.726 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.725 | |
| 2q1t | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.724 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.723 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.722 | |
| 1bdb | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | / | 0.721 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.721 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.720 | |
| 1bxk | NAD | dTDP-glucose 4,6-dehydratase 2 | / | 0.720 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.720 | |
| 1w73 | NAP | 2,4-dienoyl-CoA reductase, mitochondrial | 1.3.1.34 | 0.719 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.719 | |
| 3rua | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.719 | |
| 3sj7 | NDP | 3-oxoacyl-(Acyl-carrier-protein) reductase, putative | / | 0.719 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.719 | |
| 5bt9 | NAP | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.719 | |
| 2bfo | NDP | Pteridine reductase 1 | 1.5.1.33 | 0.718 | |
| 2ztu | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.717 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.716 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.716 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.716 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.716 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.713 | |
| 3ehe | NAD | UDP-glucose 4-epimerase (GalE-1) | / | 0.711 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.710 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.709 | |
| 1w8d | NAP | 2,4-dienoyl-CoA reductase, mitochondrial | 1.3.1.34 | 0.709 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.709 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.708 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.708 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.707 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.707 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.706 | |
| 3lu1 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.705 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.704 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.704 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.704 | |
| 3h4v | NAP | Pteridine reductase 1 | 1.5.1.33 | 0.703 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.703 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.702 | |
| 2hrb | NAP | Carbonyl reductase [NADPH] 3 | 1.1.1.184 | 0.700 | |
| 4b8z | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.700 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.700 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.700 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.699 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.699 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.698 | |
| 1b2l | NDC | Alcohol dehydrogenase | 1.1.1.1 | 0.697 | |
| 2hun | NAD | 336aa long hypothetical dTDP-glucose 4,6-dehydratase | / | 0.697 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.697 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.697 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.696 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.696 | |
| 3rue | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.695 | |
| 4m55 | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.695 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.694 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.692 | |
| 3ko8 | NAD | NAD-dependent epimerase/dehydratase | / | 0.692 | |
| 4lis | NAD | UDP-glucose 4-epimerase (Eurofung) | / | 0.692 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.691 | |
| 3o26 | NDP | Salutaridine reductase | / | 0.691 | |
| 4k6f | NAP | Putative Acetoacetyl-CoA reductase | / | 0.691 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.691 | |
| 1iy8 | NAD | Levodione reductase | / | 0.690 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.690 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.690 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.689 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.688 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.687 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.687 | |
| 2b69 | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.687 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.687 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.687 | |
| 2nnl | NAP | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.686 | |
| 3rud | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.686 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.685 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.683 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.682 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.682 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.682 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.681 | |
| 2y99 | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | 1.3.1.56 | 0.681 | |
| 4zju | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.681 | |
| 3ajr | NAD | NDP-sugar epimerase | / | 0.680 | |
| 2c59 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.679 | |
| 2q1u | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.679 | |
| 1vrw | NAI | Enoyl-ACP reductase | / | 0.678 | |
| 2rcy | NAP | Pyrroline-5-carboxylate reductase | / | 0.678 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.678 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.678 | |
| 4y0k | NAP | AntE | / | 0.678 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.677 | |
| 2gn8 | NAP | UDP-N-acetylglucosamine 4,6-dehydratase (inverting) | 4.2.1.115 | 0.677 | |
| 2q1s | NAI | Putative nucleotide sugar epimerase/ dehydratase | / | 0.677 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.677 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.676 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.675 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.674 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.674 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.673 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.672 | |
| 1sc6 | NAD | D-3-phosphoglycerate dehydrogenase | 1.1.1.95 | 0.671 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.671 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.670 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.669 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.669 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.669 | |
| 3wfj | NAD | 2-dehydropantoate 2-reductase | / | 0.668 | |
| 4xgi | NAD | Glutamate dehydrogenase | / | 0.668 | |
| 2c29 | NAP | Dihydroflavonol 4-reductase | / | 0.667 | |
| 3aut | NAI | Glucose 1-dehydrogenase 4 | 1.1.1.47 | 0.667 | |
| 4clo | NAP | Pteridine reductase | / | 0.667 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.667 | |
| 1sny | NAP | LD36273p | / | 0.666 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.666 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.666 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.665 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.665 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.664 | |
| 2pr2 | DG1 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.663 | |
| 2pzj | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.663 | |
| 2q1w | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.663 | |
| 2vyv | NAD | Glyceraldehyde-3-phosphate dehydrogenase A | / | 0.663 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.663 | |
| 4tqg | NDP | Putative dTDP-d-glucose 4 6-dehydratase | / | 0.663 | |
| 2nv6 | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.662 | |
| 3pvz | NAD | UDP-N-acetylglucosamine 4,6-dehydratase | / | 0.662 | |
| 1eny | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.661 | |
| 2ggs | NDP | dTDP-4-dehydrorhamnose reductase | / | 0.661 | |
| 3o03 | NAP | Dehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) | / | 0.661 | |
| 1b14 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.660 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.660 | |
| 2yw9 | NAP | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.660 | |
| 4id9 | NAD | Putative UDP-glucose 4-epimerase | / | 0.660 | |
| 1kvr | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.659 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.659 | |
| 2x6t | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.658 | |
| 3keq | NAD | Redox-sensing transcriptional repressor Rex | / | 0.658 | |
| 3ruc | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.658 | |
| 3zu2 | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.658 | |
| 2c54 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.657 | |
| 5kcp | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.657 | |
| 1rkx | NAD | CDP-D-glucose-4,6-dehydratase | / | 0.656 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.656 | |
| 1fdu | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.655 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.655 | |
| 2bgm | NAJ | Secoisolariciresinol dehydrogenase | 1.1.1.331 | 0.655 | |
| 2zb3 | NDP | Prostaglandin reductase 2 | 1.3.1.48 | 0.655 | |
| 3mje | NDP | AmphB | / | 0.655 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.655 | |
| 5ijz | NAP | NADP-specific glutamate dehydrogenase | 1.4.1.4 | 0.655 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.653 | |
| 4n5n | NAP | Acetoacetyl-CoA reductase | 1.1.1.36 | 0.653 | |
| 1i3l | NAD | UDP-glucose 4-epimerase | / | 0.652 | |
| 3ru7 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.652 | |
| 3sxp | NAD | ADP-L-glycero-D-mannoheptose-6-epimerase | / | 0.652 | |
| 4dre | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.652 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.651 | |
| 2aq8 | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.651 | |
| 4bgi | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.651 | |
| 1enp | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH], chloroplastic | 1.3.1.9 | 0.650 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.650 | |
| 4qnu | GEK | tRNA U34 carboxymethyltransferase | / | 0.650 |