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 |
|---|---|---|---|
| 3oew | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Mode Similarity |
Align |
|---|---|---|---|---|---|
| 3oew | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 1.119 | |
| 3of2 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 1.078 | |
| 3oey | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 1.074 | |
| 4trn | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 1.072 | |
| 2aq8 | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 1.048 | |
| 4bii | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 1.017 | |
| 2aqh | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 1.015 | |
| 2aqk | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 1.010 | |
| 2aqi | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 1.009 | |
| 4bqp | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.996 | |
| 4dre | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.990 | |
| 2b35 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.988 | |
| 4dti | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.988 | |
| 1eny | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.984 | |
| 2nv6 | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.977 | |
| 4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.953 | |
| 4zju | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.947 | |
| 4dqu | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.943 | |
| 2ieb | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.927 | |
| 4bgi | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.918 | |
| 3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.908 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.907 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.907 | |
| 2ie0 | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.898 | |
| 2h9i | EAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.888 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.887 | |
| 5koi | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.876 | |
| 4qxm | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.865 | |
| 2ntv | P1H | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.841 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.822 | |
| 2b36 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.820 | |
| 1p44 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.808 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.803 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.790 | |
| 1enz | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.778 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.776 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.775 | |
| 2yw9 | NAP | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.770 | |
| 3r3s | NAD | Putative oxidoreductase | / | 0.768 | |
| 2pr2 | DG1 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.765 | |
| 4k6f | NAP | Putative Acetoacetyl-CoA reductase | / | 0.762 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.761 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.761 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.759 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.757 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.756 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.753 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.751 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.748 | |
| 2p5y | NAD | UDP-glucose 4-epimerase | / | 0.747 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.746 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.746 | |
| 4pvd | NDP | NADPH-dependent methylglyoxal reductase GRE2 | / | 0.746 | |
| 4lis | NAD | UDP-glucose 4-epimerase (Eurofung) | / | 0.744 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.743 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.741 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.741 | |
| 1zid | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.739 | |
| 3o03 | NAP | Dehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) | / | 0.737 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.736 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.734 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.731 | |
| 2ztu | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.730 | |
| 3uce | NDP | Dehydrogenase | / | 0.729 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.724 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.724 | |
| 3mje | NDP | AmphB | / | 0.724 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.724 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.720 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.719 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.717 | |
| 4hxy | NDP | Plm1 | / | 0.716 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.715 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.713 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.713 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.712 | |
| 1w8d | NAP | 2,4-dienoyl-CoA reductase, mitochondrial | 1.3.1.34 | 0.712 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.712 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.711 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.710 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.710 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.709 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.709 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.709 | |
| 1v35 | NAI | Enoyl-ACP reductase | / | 0.708 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.708 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.708 | |
| 4u7w | NDP | MxaA | / | 0.708 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.707 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.706 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.706 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.706 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.705 | |
| 1i3l | NAD | UDP-glucose 4-epimerase | / | 0.704 | |
| 2hrb | NAP | Carbonyl reductase [NADPH] 3 | 1.1.1.184 | 0.704 | |
| 3geg | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.704 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.704 | |
| 1bvr | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.703 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.703 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.703 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.703 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.702 | |
| 1vrw | NAI | Enoyl-ACP reductase | / | 0.701 | |
| 2c54 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.701 | |
| 2pzj | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.701 | |
| 2q1u | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.701 | |
| 3icp | NAD | NAD-dependent epimerase/dehydratase | / | 0.701 | |
| 4o1m | NAD | Enoyl-acyl carrier reductase | / | 0.701 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.699 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.699 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.699 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.699 | |
| 4gll | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.699 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.698 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.698 | |
| 1w73 | NAP | 2,4-dienoyl-CoA reductase, mitochondrial | 1.3.1.34 | 0.697 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.696 | |
| 5bt9 | NAP | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.696 | |
| 3o26 | NDP | Salutaridine reductase | / | 0.694 | |
| 1fdu | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.691 | |
| 2c59 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.691 | |
| 1enp | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH], chloroplastic | 1.3.1.9 | 0.690 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.690 | |
| 5d2e | NAP | MlnE | / | 0.690 | |
| 4kwh | NAP | Reductase homolog | / | 0.688 | |
| 1b14 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.687 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.687 | |
| 4wec | NAD | Short chain dehydrogenase | / | 0.686 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.685 | |
| 3aut | NAI | Glucose 1-dehydrogenase 4 | 1.1.1.47 | 0.685 | |
| 4qed | NAP | ElxO | / | 0.685 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.683 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.683 | |
| 1kvr | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.683 | |
| 2idz | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.683 | |
| 2q1t | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.683 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.683 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.683 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.681 | |
| 1b2l | NDC | Alcohol dehydrogenase | 1.1.1.1 | 0.679 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.679 | |
| 4qec | NAP | ElxO | / | 0.679 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.678 | |
| 1rkx | NAD | CDP-D-glucose-4,6-dehydratase | / | 0.678 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.677 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.676 | |
| 3ru7 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.675 | |
| 4b8z | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.675 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.674 | |
| 1qyv | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.672 | |
| 3a9w | NAD | NDP-sugar epimerase | / | 0.672 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.672 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.671 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.670 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.670 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.669 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.668 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.667 | |
| 3orf | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.667 | |
| 3sju | NDP | Keto reductase | / | 0.667 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.667 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.667 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.666 | |
| 2b4q | NAP | Rhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.666 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.665 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.665 | |
| 5b1y | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.665 | |
| 1orr | NAD | CDP-paratose 2-epimerase | / | 0.664 | |
| 3ru9 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.664 | |
| 3aw9 | NAD | NAD-dependent epimerase/dehydratase | / | 0.663 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.663 | |
| 2q1s | NAI | Putative nucleotide sugar epimerase/ dehydratase | / | 0.662 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.661 | |
| 4o0l | NDP | NADPH-dependent 3-quinuclidinone reductase | / | 0.661 | |
| 1dir | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.660 | |
| 3bmo | NAP | Pteridine reductase | / | 0.660 | |
| 4idg | NAD | Putative UDP-glucose 4-epimerase | / | 0.660 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.659 | |
| 4eue | NAI | Trans-2-enoyl-CoA reductase [NADH] | / | 0.659 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.658 | |
| 1eq2 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.657 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.657 | |
| 1iy8 | NAD | Levodione reductase | / | 0.656 | |
| 2nnl | NAP | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.656 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.655 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.654 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.654 | |
| 1fk8 | NAD | 3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase | 1.1.1.50 | 0.652 | |
| 3sxp | NAD | ADP-L-glycero-D-mannoheptose-6-epimerase | / | 0.652 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.652 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.652 | |
| 3zu2 | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.651 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.651 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.650 | |
| 3rud | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.650 | |
| 3ruf | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.650 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.650 |