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 |
|---|---|---|---|
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Binding Mode Similarity |
Align |
|---|---|---|---|---|---|
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 1.314 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.926 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.855 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.851 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.841 | |
| 4hxy | NDP | Plm1 | / | 0.833 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.829 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.817 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.811 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.806 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.805 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.794 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.789 | |
| 1w8d | NAP | 2,4-dienoyl-CoA reductase, mitochondrial | 1.3.1.34 | 0.789 | |
| 4imp | NDP | Polyketide synthase extender modules 3-4 | / | 0.788 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.785 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.780 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.780 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.780 | |
| 3sju | NDP | Keto reductase | / | 0.778 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.773 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.773 | |
| 2c29 | NAP | Dihydroflavonol 4-reductase | / | 0.770 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.770 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.769 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.769 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.768 | |
| 1sny | NAP | LD36273p | / | 0.768 | |
| 3mje | NDP | AmphB | / | 0.766 | |
| 2nnl | NAP | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.764 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.762 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.762 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.759 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.759 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.758 | |
| 4pvd | NDP | NADPH-dependent methylglyoxal reductase GRE2 | / | 0.757 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.757 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.755 | |
| 3r3s | NAD | Putative oxidoreductase | / | 0.752 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.752 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.752 | |
| 5d2e | NAP | MlnE | / | 0.752 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.751 | |
| 2q1w | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.751 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.751 | |
| 3uce | NDP | Dehydrogenase | / | 0.751 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.749 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.747 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.747 | |
| 2p5y | NAD | UDP-glucose 4-epimerase | / | 0.746 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.746 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.745 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.745 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.741 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.741 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.741 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.741 | |
| 1nai | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.740 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.740 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.740 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.739 | |
| 4o0l | NDP | NADPH-dependent 3-quinuclidinone reductase | / | 0.738 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.737 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.736 | |
| 3ko8 | NAD | NAD-dependent epimerase/dehydratase | / | 0.736 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.736 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.736 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.734 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.733 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.732 | |
| 1u7t | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.731 | |
| 3o26 | NDP | Salutaridine reductase | / | 0.731 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.731 | |
| 4qec | NAP | ElxO | / | 0.731 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.730 | |
| 3ruf | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.729 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.729 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.728 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.728 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.727 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.727 | |
| 4qed | NAP | ElxO | / | 0.727 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.726 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.726 | |
| 1qyv | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.726 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.725 | |
| 4k6f | NAP | Putative Acetoacetyl-CoA reductase | / | 0.725 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.724 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.722 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.719 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.719 | |
| 3rud | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.719 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.718 | |
| 4kwh | NAP | Reductase homolog | / | 0.718 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.717 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.715 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.715 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.713 | |
| 1w73 | NAP | 2,4-dienoyl-CoA reductase, mitochondrial | 1.3.1.34 | 0.713 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.712 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.712 | |
| 1bdb | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | / | 0.710 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.710 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.710 | |
| 3o03 | NAP | Dehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) | / | 0.710 | |
| 1rkx | NAD | CDP-D-glucose-4,6-dehydratase | / | 0.707 | |
| 2gn8 | NAP | UDP-N-acetylglucosamine 4,6-dehydratase (inverting) | 4.2.1.115 | 0.707 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.707 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.706 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.706 | |
| 4hbg | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.705 | |
| 4ej0 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.704 | |
| 1fk8 | NAD | 3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase | 1.1.1.50 | 0.703 | |
| 2q1t | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.703 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.703 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.702 | |
| 1n7g | NDP | GDP-mannose 4,6 dehydratase 2 | 4.2.1.47 | 0.701 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.701 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.701 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.701 | |
| 3icp | NAD | NAD-dependent epimerase/dehydratase | / | 0.701 | |
| 3rua | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.701 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.701 | |
| 2hrb | NAP | Carbonyl reductase [NADPH] 3 | 1.1.1.184 | 0.700 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.699 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.699 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.698 | |
| 3lu1 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.696 | |
| 3orf | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.695 | |
| 4wec | NAD | Short chain dehydrogenase | / | 0.695 | |
| 3ru9 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.693 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.693 | |
| 2bgm | NAJ | Secoisolariciresinol dehydrogenase | 1.1.1.331 | 0.692 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.692 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.691 | |
| 5b1y | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.691 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.690 | |
| 2c54 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.690 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.689 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.689 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.689 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.689 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.688 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.687 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.687 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.686 | |
| 2q1u | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.686 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.685 | |
| 3u4c | NDP | NADPH-dependent reductase BacG | / | 0.685 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.684 | |
| 1iy8 | NAD | Levodione reductase | / | 0.683 | |
| 2q1s | NAI | Putative nucleotide sugar epimerase/ dehydratase | / | 0.682 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.682 | |
| 3ehe | NAD | UDP-glucose 4-epimerase (GalE-1) | / | 0.681 | |
| 3sj7 | NDP | 3-oxoacyl-(Acyl-carrier-protein) reductase, putative | / | 0.681 | |
| 5j23 | A2R | Putative 2-hydroxyacid dehydrogenase | / | 0.681 | |
| 1u28 | NAP | NAD(P) transhydrogenase subunit beta | 1.6.1.2 | 0.680 | |
| 4xyb | NDP | Formate dehydrogenase | / | 0.679 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.678 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.677 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.677 | |
| 3aw9 | NAD | NAD-dependent epimerase/dehydratase | / | 0.676 | |
| 2c59 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.675 | |
| 3ajr | NAD | NDP-sugar epimerase | / | 0.675 | |
| 4bii | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.674 | |
| 3ru7 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.673 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.672 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.671 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.669 | |
| 1kvr | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.669 | |
| 1fdu | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.667 | |
| 2ggs | NDP | dTDP-4-dehydrorhamnose reductase | / | 0.667 | |
| 2h9i | EAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.667 | |
| 3nta | COA | FAD-dependent pyridine nucleotide-disulphide oxidoreductase | / | 0.667 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.667 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.666 | |
| 4trn | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.666 | |
| 4gll | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.663 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.663 | |
| 1ek5 | NAD | UDP-glucose 4-epimerase | / | 0.662 | |
| 1eq2 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.661 | |
| 2b4q | NAP | Rhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.661 | |
| 4zju | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.661 | |
| 2b36 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.660 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.659 | |
| 1p44 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.659 | |
| 2b69 | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.659 | |
| 4lis | NAD | UDP-glucose 4-epimerase (Eurofung) | / | 0.659 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.658 | |
| 2y99 | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | 1.3.1.56 | 0.657 | |
| 3a9w | NAD | NDP-sugar epimerase | / | 0.657 | |
| 4bgi | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.657 | |
| 1n7h | NDP | GDP-mannose 4,6 dehydratase 2 | 4.2.1.47 | 0.656 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.656 | |
| 4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.656 | |
| 1aj2 | 2PH | Dihydropteroate synthase | / | 0.655 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.655 | |
| 1b2l | NDC | Alcohol dehydrogenase | 1.1.1.1 | 0.653 | |
| 1i3l | NAD | UDP-glucose 4-epimerase | / | 0.652 | |
| 3ruh | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.652 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.651 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.651 | |
| 4bv9 | NDP | Ketimine reductase mu-crystallin | 1.5.1.25 | 0.651 | |
| 1enz | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.650 | |
| 3q6j | KPC | 2-oxopropyl-CoM reductase, carboxylating | 1.8.1.5 | 0.650 | |
| 5jy1 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.650 |